NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9441 8.2133 109.7327 45.3072 0.0000 176.8277 4 Q 3.8227 8.8431 127.4200 56.8266 28.1655 174.9536 5 L 3.9328 8.3776 122.0141 58.0571 41.9207 178.8768 6 T 3.9791 7.6239 114.4758 67.2186 68.3908 176.3261 7 K 4.1105 7.8297 119.9789 58.9353 32.1601 179.0096 8 Q 4.0082 8.2181 120.0290 58.8514 28.6749 177.5654 9 H 4.3195 8.0446 117.0989 58.3560 28.8555 177.7195 10 V 3.5548 7.6403 120.1524 65.8850 31.4403 177.9041 11 R 3.7746 7.6361 118.0010 59.5622 29.9581 178.0905 12 A 3.9657 7.9814 120.3135 55.3891 18.2746 179.6612 13 L 3.8151 7.4518 115.7850 57.4590 41.6760 179.5468 14 A 3.9679 7.8596 120.7638 55.4386 18.4866 179.9075 15 I 3.7718 7.7714 118.2038 64.1443 36.8431 178.7198 16 S 4.0465 7.7100 112.8726 61.4619 62.3779 175.5088 17 A 4.1875 7.7602 121.9252 55.5314 18.1244 179.2855 18 L 4.0756 7.8044 115.4128 55.0419 43.0132 176.9669 19 A 3.7477 7.8766 120.0496 51.8624 16.1740 175.7857 20 P 4.2691 0.0000 0.0000 62.8767 32.2781 177.0576 21 K 4.5262 8.0802 120.8156 53.9952 34.2192 174.8654 22 P 4.3840 0.0000 0.0000 65.3318 31.7099 176.9523 23 H 4.5506 8.1691 114.0412 56.7090 28.9212 174.3766 24 E 4.9978 7.9417 119.0459 54.6487 33.2685 174.5221 25 T 5.1470 8.3861 115.5679 60.4364 70.6260 172.5243 26 L 4.1812 9.1521 131.0397 53.8265 44.1320 175.3990 27 W 5.3549 8.6318 125.1575 54.9850 30.9965 173.1826 28 D 5.1597 9.1567 125.3479 53.2651 42.0572 176.6416 29 I 4.7672 8.7647 129.7080 60.6546 37.5754 176.4352 *34 G 3.8274 7.9781 107.2652 45.5027 0.0000 176.4451 35 S 4.1194 8.1666 115.6129 61.3648 63.6915 175.3841 36 I 3.5725 7.7187 123.7813 63.0648 36.5797 178.2898 37 A 3.9777 8.0128 120.5878 55.2254 18.6681 179.0246 38 I 3.8342 7.5078 118.0564 64.7667 37.3076 178.2373 39 E 3.9824 8.4262 120.0295 59.0630 29.2254 178.4456 40 W 4.2866 8.0960 126.5188 59.3041 30.8091 176.7690 41 L 4.4292 8.1032 117.2847 55.1806 41.6450 176.5892 42 R 4.4289 7.7529 118.2322 56.1989 31.8399 176.3381 43 S 4.5253 7.8886 109.7017 58.5181 63.9244 174.0731 44 T 4.3560 7.2090 117.6919 61.3619 71.6280 171.9935 45 P 4.3101 0.0000 0.0000 63.0932 32.0684 176.1794 46 Q 3.4793 8.5518 116.6432 56.8684 26.4728 173.2260 47 T 5.0131 7.5966 107.7439 59.4239 70.4201 173.8716 48 T 4.8900 8.8499 115.1957 59.8557 72.0153 172.6566 49 A 5.2316 8.2577 123.8849 50.3135 22.0467 175.3774 50 V 4.4533 9.1480 122.5197 61.3544 33.6952 174.4448 51 C 5.2981 8.6626 125.4889 58.0377 31.3188 172.8539 52 F 5.0147 8.5465 119.6722 55.7068 41.6208 174.4460 53 E 4.5053 9.0319 125.1116 54.4885 31.9663 175.9774 54 I 3.6070 8.7082 127.9444 63.1903 38.6984 176.0087 55 S 4.4666 8.2392 115.9406 57.0674 63.1381 173.9090 56 E 3.9363 8.8293 129.3985 59.7121 29.4118 179.0227 57 E 3.9191 8.0593 118.4738 59.4803 29.8414 178.9510 58 R 4.0791 8.1334 118.0095 58.9681 30.0090 179.3115 59 R 3.8135 7.9972 118.1144 59.3574 30.0669 178.4693 60 E 3.9255 8.6203 119.3199 59.3696 29.3897 179.1750 61 R 4.0585 7.4528 116.3934 58.7457 30.4245 178.7934 62 I 3.6942 7.6051 119.6203 64.4059 36.9373 178.3602 63 L 3.9579 7.6725 119.8237 57.7779 42.2151 178.4883 64 S 4.2134 7.6823 113.4791 61.7389 62.3503 175.9776 65 N 4.6663 8.5914 119.5767 54.7198 38.5165 177.0892 66 A 4.0224 8.0853 122.5691 55.2012 18.2646 179.5329 67 I 3.8431 7.4960 117.6481 63.9401 37.5801 177.7016 68 N 4.3158 7.8409 117.0701 56.0191 38.1715 176.5152 69 L 4.4283 7.6944 116.2119 53.7419 42.3320 176.7101 70 G 3.9526 7.8781 105.6816 46.9793 0.0000 174.7411 71 V 4.4417 7.8646 113.4686 61.8495 33.6486 176.6111 72 S 4.2637 8.2265 114.6430 61.8436 62.7132 175.2506 73 D 4.8839 8.0082 117.9071 54.2893 39.4233 176.5708 74 R 4.4750 8.3578 120.9566 57.2343 32.4887 176.3840 75 I 4.4654 7.3487 118.6513 60.4313 39.1083 175.4068 76 A 4.4906 8.8573 131.4600 50.0776 20.9170 175.8728 77 V 3.9710 8.2482 122.9890 63.3436 32.0260 175.6870 78 Q 4.2419 8.3748 128.7973 55.0163 31.3761 174.1502 79 Q 5.0058 7.4591 118.6987 54.5895 31.5927 176.3580 80 G 3.6477 8.5634 108.5629 45.7127 0.0000 173.2361 81 A 3.9237 8.1019 124.2869 51.4643 19.1126 175.7130 82 P 4.3845 0.0000 0.0000 62.7792 31.4905 177.8044 83 R 4.2892 7.6122 117.1449 56.8570 30.7118 178.1876 84 A 4.2779 7.4198 121.1841 54.2461 18.9641 179.7579 85 F 4.2127 7.2881 115.2727 61.0089 39.0713 177.5893 86 D 4.7569 7.6248 118.8758 57.0813 40.9165 177.5383 87 D 4.3486 8.3868 119.6546 56.5967 40.8698 175.7959 88 V 4.4453 8.0488 120.0989 60.5110 30.6844 173.3915 89 P 4.4328 0.0000 0.0000 65.2097 31.6942 176.8933 90 D 4.4915 8.1002 118.8848 53.6266 41.4389 175.5130 91 N 4.4076 8.5536 123.9689 52.6389 39.3186 172.6532 92 P 4.2203 0.0000 0.0000 62.0628 32.6866 175.2832 93 D 4.6639 8.4177 118.4944 55.2123 43.9182 176.6131 94 V 4.7675 7.4451 116.5672 60.9468 35.2999 174.4685 95 I 5.0536 7.9756 124.0227 59.4407 41.3536 174.0031 96 F 5.2977 9.2666 128.5643 56.4822 42.3613 173.5910 97 I 4.4564 7.8848 127.1041 58.8165 39.0998 176.6070 98 G 3.4276 8.0423 120.2436 45.1795 0.0000 173.3644 99 G 3.8521 7.6110 103.7178 45.7491 0.0000 173.6694 100 G 3.9668 8.7322 104.3354 45.5844 0.0000 175.7732 101 L 4.2285 7.8132 121.6325 57.4185 41.9021 178.7853 102 T 3.8762 7.9034 107.8008 64.0473 68.9937 174.4584 103 A 4.0751 7.4325 124.7563 51.1109 18.5805 175.5180 104 P 4.3413 0.0000 0.0000 64.1111 32.2449 178.6115 105 G 4.1121 8.8480 107.4234 47.0279 0.0000 176.2731 106 V 3.7215 7.7129 119.5631 65.9349 31.5353 177.5698 107 F 3.9963 8.3702 119.4329 61.4029 39.4121 176.4376 108 A 4.1116 8.4715 119.5364 55.6775 17.9476 179.1482 109 A 3.9841 7.8631 117.2937 55.1527 18.6128 179.1248 110 A 3.6371 7.3715 118.5021 53.8450 18.8124 179.3812 111 W 3.7258 7.7566 126.3128 59.8618 30.3109 177.9819 112 K 4.0057 7.4257 117.4479 59.1549 31.3880 178.6049 113 R 4.1628 7.0589 115.3060 55.5839 30.0257 175.9258 114 L 4.0239 6.3865 121.4396 51.8715 42.7332 174.2673 115 P 4.0898 0.0000 0.0000 62.4043 31.7011 176.0800 116 V 3.4775 7.8433 120.1627 64.4272 31.8378 176.4760 117 G 3.9625 8.7921 114.0853 45.3981 0.0000 174.4197 118 G 3.5869 7.7368 107.7557 46.4538 0.0000 173.4065 119 R 5.1094 8.3436 121.7107 54.5840 33.3163 174.9222 120 L 4.8396 8.6664 121.5795 53.9201 46.2280 174.7178 121 V 4.9246 8.6855 123.8516 61.3172 35.3181 173.6504 122 A 4.9639 9.4856 129.1224 50.3106 22.1300 174.5421 123 N 5.5359 8.4669 119.3251 51.9983 41.2434 174.7919 124 A 4.7370 8.8217 122.9538 50.6620 22.6942 177.0518 125 V 4.5098 8.6614 120.2602 60.6904 32.6872 175.5819 126 T 4.6710 7.4930 110.9326 59.7777 72.7182 175.0698 127 V 3.5706 8.1338 120.2462 66.2702 31.3421 177.9004 128 E 4.5340 7.9459 117.8084 58.9978 29.4666 178.8419 129 S 4.2633 7.8994 114.0174 61.9400 63.1561 176.2945 130 E 4.1080 8.5271 121.8427 59.1483 29.0512 179.1886 131 Q 4.1528 7.7020 114.7750 56.6448 28.5432 178.0850 *133 L 3.8457 7.9018 122.5362 54.5140 43.8640 179.4037 134 W 3.7638 7.6185 118.2380 59.2640 29.0435 178.2894 135 A 3.7861 7.5596 120.6724 55.2379 17.7746 179.5408 136 L 3.3711 7.1795 116.3172 57.5382 41.5096 179.7630 137 R 3.4520 6.5235 119.5164 58.6359 29.7791 178.7762 138 K 3.9205 7.8675 116.5065 58.4398 31.9680 178.4599 139 Q 3.8921 7.0377 118.8145 57.5905 29.4125 176.5931 140 F 5.0284 7.9323 115.1283 58.0666 40.6875 176.9733 141 G 3.9561 8.7893 106.1506 46.6319 0.0000 173.7132 142 G 4.5363 8.9153 112.6281 45.2660 0.0000 171.6884 143 T 4.8336 8.7822 114.2498 61.6936 71.9555 173.6780 144 I 4.9849 8.3552 125.3377 59.7715 39.1998 175.0951 145 S 4.9377 8.8211 122.3044 56.7075 67.0333 173.1176 146 S 4.5644 7.8725 114.3753 56.7253 66.2790 173.4019 147 F 4.7696 8.9189 119.2921 55.8941 42.0421 174.1801 148 A 4.8103 8.8394 126.9504 50.6921 19.7996 175.5547 149 I 4.5025 8.2806 122.3547 60.4702 40.0919 175.3512 150 S 5.2489 8.5626 121.5808 57.1887 66.7049 172.6405 151 H 5.4105 8.8749 119.3030 53.4312 32.1815 173.5021 152 E 4.3407 8.8495 119.4272 56.9107 30.2493 175.5289 153 H 4.8346 9.8264 124.7119 54.5837 32.8780 172.0553 154 T 4.9827 8.4467 122.1383 62.3713 70.6175 175.2914 155 V 4.2945 9.4713 125.8203 61.4520 33.7591 178.9260 156 G 3.9641 9.0434 117.3181 46.4293 0.0000 172.0031 157 S 4.7360 9.0338 110.0045 57.5295 64.4220 174.5614 158 F 5.4614 8.0151 117.9152 57.4181 43.0911 173.5563 159 I 5.1474 8.5296 125.1839 60.0103 40.6522 172.9203 160 T 4.5833 8.9560 115.1126 61.5365 70.8432 176.5193 *162 K 4.2477 8.9933 126.7419 55.2822 33.3680 171.1881 163 P 5.3696 0.0000 0.0000 61.5091 31.7708 176.1053 164 A 4.3599 8.9923 127.4421 51.2212 19.3693 176.9015 165 L 4.1616 8.3814 119.2350 54.1864 42.3192 175.6922 166 P 4.7980 0.0000 0.0000 62.7179 32.7470 175.3820 167 V 4.5375 8.3697 122.2803 61.6764 34.0347 173.9613 168 H 5.2393 9.1705 125.0287 54.5807 31.1876 173.9777 169 Q 5.0235 9.6872 124.5622 54.0950 31.7678 174.0474 170 W 5.2031 9.4424 135.0000 57.5328 32.5189 175.3261 171 T 4.9747 9.1188 122.7530 61.9884 71.7927 173.2465 172 V 4.7116 8.1838 126.0601 59.7093 35.1732 174.6257 173 V 4.6763 8.3126 121.2520 61.2253 33.4482 174.9495 174 K 4.4876 8.8427 128.5407 55.6158 33.6508 176.6936 175 A 4.3570 8.6522 128.0971 52.3323 19.2660 176.3954 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 3 G 8.21 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 4 Q 8.84 3.82 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 5 L 8.38 3.93 0.00 1.62 1.73 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.62 3.98 4.20 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 1.27 0.00 0.00 7 K 7.83 4.11 0.00 1.84 1.87 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.57 7.81 8 Q 8.22 4.01 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 9 H 8.04 4.32 0.00 3.52 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.64 3.55 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 1.05 0.00 0.00 1.09 0.00 0.00 11 R 7.64 3.77 0.00 2.03 2.04 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 12 A 7.98 3.97 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 13 L 7.45 3.82 0.00 1.55 1.03 0.41 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.86 3.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.77 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.15 1.05 0.00 0.00 16 S 7.71 4.05 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 17 A 7.76 4.19 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.08 0.00 2.02 1.93 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.88 3.75 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 20 P 0.00 4.27 0.00 1.69 0.83 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.30 0.00 21 K 8.08 4.53 0.00 1.94 1.66 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 22 P 0.00 4.38 0.00 2.17 2.10 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 23 H 8.17 4.55 0.00 3.12 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.94 5.00 0.00 2.25 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 0.00 2.36 2.33 0.00 25 T 8.39 5.15 4.38 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 1.38 0.00 0.00 26 L 9.15 4.18 0.00 0.27 0.87 -0.02 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.63 5.35 0.00 3.26 3.25 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 28 D 9.16 5.16 0.00 2.89 2.64 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 29 I 8.76 4.77 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 1.00 0.00 0.00 *34 G 7.98 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 0.00 0.00 0.00 35 S 8.17 4.12 0.00 4.07 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 36 I 7.72 3.57 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.48 0.18 0.00 0.00 37 A 8.01 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.51 3.83 2.13 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 0.49 0.93 0.00 0.00 39 E 8.43 3.98 0.00 2.16 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 2.29 2.37 0.00 40 W 8.10 4.29 0.00 3.41 3.30 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 41 L 8.10 4.43 0.00 1.91 1.72 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.75 4.43 0.00 1.75 1.89 0.00 3.38 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 43 S 7.89 4.53 0.00 3.92 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 44 T 7.21 4.36 3.66 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 0.97 0.00 0.00 45 P 0.00 4.31 0.00 2.12 1.91 0.00 3.64 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 2.05 2.04 0.00 46 Q 8.55 3.48 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 47 T 7.60 5.01 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 0.95 0.00 0.00 48 T 8.85 4.89 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 1.33 0.00 0.00 49 A 8.26 5.23 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 50 V 9.15 4.45 1.67 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 0.31 0.00 0.00 1.16 0.00 0.00 51 C 8.66 5.30 0.00 2.69 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 52 F 8.55 5.01 0.00 2.66 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 53 E 9.03 4.51 0.00 2.02 1.72 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 2.19 2.52 0.00 54 I 8.71 3.61 1.86 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 1.29 0.79 0.91 0.00 0.00 55 S 8.24 4.47 0.00 3.95 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 56 E 8.83 3.94 0.00 2.04 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 2.39 2.37 0.00 57 E 8.06 3.92 0.00 2.07 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 2.37 2.46 0.00 58 R 8.13 4.08 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 59 R 8.00 3.81 0.00 2.04 1.94 0.00 3.45 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 60 E 8.62 3.93 0.00 2.12 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 2.31 2.37 0.00 61 R 7.45 4.06 0.00 2.15 1.95 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 62 I 7.61 3.69 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 0.90 0.00 0.00 63 L 7.67 3.96 0.00 1.61 1.67 0.90 0.99 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 64 S 7.68 4.21 0.00 4.17 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 65 N 8.59 4.67 0.00 2.79 2.84 0.00 0.00 6.42 7.43 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 66 A 8.09 4.02 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 67 I 7.50 3.84 2.18 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.91 0.00 0.00 68 N 7.84 4.32 0.00 2.86 2.89 0.00 0.00 6.93 7.79 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 69 L 7.69 4.43 0.00 1.62 1.66 0.92 0.87 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 70 G 7.88 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 0.00 0.00 0.00 71 V 7.86 4.44 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 1.00 0.00 0.00 0.97 0.00 0.00 72 S 8.23 4.26 0.00 4.03 4.12 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 0.00 0.00 0.00 0.00 73 D 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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 82 P 0.00 4.38 0.00 2.40 2.46 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 83 R 7.61 4.29 0.00 1.85 1.94 0.00 3.14 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 84 A 7.42 4.28 1.26 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 85 F 7.29 4.21 0.00 3.14 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 86 D 7.62 4.76 0.00 2.64 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 87 D 8.39 4.35 0.00 2.92 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 88 V 8.05 4.45 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 0.99 0.00 0.00 0.99 0.00 0.00 89 P 0.00 4.43 0.00 2.27 2.22 0.00 3.86 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 2.05 1.99 0.00 90 D 8.10 4.49 0.00 2.74 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 91 N 8.55 4.41 0.00 2.65 2.50 0.00 0.00 7.15 8.02 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 92 P 0.00 4.22 0.00 1.04 0.75 0.00 2.98 0.00 0.00 2.69 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 93 D 8.42 4.66 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.45 4.77 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 0.90 0.00 0.00 1.03 0.00 0.00 95 I 7.98 5.05 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.31 0.96 0.00 0.00 96 F 9.27 5.30 0.00 2.99 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 97 I 7.88 4.46 1.80 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.96 0.00 0.00 98 G 8.04 3.43 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 0.00 99 G 7.61 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 0.00 100 G 8.73 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 0.00 0.00 0.00 101 L 7.81 4.23 0.00 1.66 1.74 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.90 3.88 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 1.21 0.00 0.00 103 A 7.43 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.22 2.02 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 105 G 8.85 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.71 3.72 2.37 0.00 0.00 0.00 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7.70 4.15 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.16 0.00 0.00 0.00 0.00 0.00 2.37 2.74 0.00 *133 L 7.90 3.85 0.00 1.58 1.14 0.88 1.08 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 0.00 134 W 7.62 3.76 0.00 3.45 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 0.00 135 A 7.56 3.79 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.18 3.37 0.00 0.29 1.25 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 137 R 6.52 3.45 0.00 0.67 1.39 0.00 3.06 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 138 K 7.87 3.92 0.00 1.80 1.75 0.00 1.89 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 139 Q 7.04 3.89 0.00 1.46 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 1.43 1.96 0.00 140 F 7.93 5.03 0.00 3.18 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 0.00 141 G 8.79 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 0.00 142 G 8.92 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.78 4.83 4.34 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 1.29 0.00 0.00 144 I 8.36 4.98 1.17 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.29 0.69 0.00 0.00 145 S 8.82 4.94 0.00 3.64 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.87 4.56 0.00 3.53 3.45 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 0.00 147 F 8.92 4.77 0.00 2.99 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 0.00 148 A 8.84 4.81 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 0.00 149 I 8.28 4.50 1.92 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 1.39 0.71 0.77 0.00 0.00 150 S 8.56 5.25 0.00 3.71 3.74 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 0.00 151 H 8.87 5.41 0.00 3.02 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.85 4.34 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 2.31 2.34 0.00 153 H 9.83 4.83 0.00 3.24 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.45 4.98 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 1.23 0.00 0.00 155 V 9.47 4.29 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 1.07 0.00 0.00 1.04 0.00 0.00 156 G 9.04 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 0.00 157 S 9.03 4.74 0.00 3.73 3.81 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 0.00 158 F 8.02 5.46 0.00 3.22 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 0.00 159 I 8.53 5.15 1.92 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 1.53 0.67 0.99 0.00 0.00 160 T 8.96 4.58 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 1.14 0.00 0.00 *162 K 8.99 4.25 0.00 1.93 1.85 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.41 7.81 163 P 0.00 5.37 0.00 2.13 2.08 0.00 3.44 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 164 A 8.99 4.36 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 0.00 165 L 8.38 4.16 0.00 1.70 1.67 0.96 1.06 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 0.00 166 P 0.00 4.80 0.00 2.12 2.09 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 167 V 8.37 4.54 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 1.19 0.00 0.00 1.04 0.00 0.00 168 H 9.17 5.24 0.00 3.24 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 9.69 5.02 0.00 2.48 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.82 0.00 170 W 9.44 5.20 0.00 3.25 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 0.00 171 T 9.12 4.97 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 1.21 0.00 0.00 172 V 8.18 4.71 1.62 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 0.29 0.00 0.00 1.27 0.00 0.00 173 V 8.31 4.68 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 0.77 0.00 0.00 0.92 0.00 0.00 174 K 8.84 4.49 0.00 1.17 1.24 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.21 7.81 175 A 8.65 4.36 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 * Residues marked with a * may have inaccurate shift predictions.