NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1321 8.2644 123.5819 52.1993 20.7538 176.4539 *2 T 4.1352 7.5621 109.1479 62.2842 68.0814 173.1261 3 T 4.4251 8.1073 114.0665 61.3507 69.4605 173.8647 4 Y 4.2947 7.6446 121.2724 58.4723 38.1100 175.9160 5 T 4.3102 8.6416 114.3517 62.6707 69.5028 174.5144 6 S 4.6858 7.6229 116.3940 55.7682 65.5855 174.5592 7 I 3.8225 8.4072 119.6359 63.4134 37.3982 178.1419 8 A 3.9527 7.7850 123.1181 55.3097 18.1460 179.2288 9 N 4.2970 7.8659 114.0416 56.3178 38.5113 177.7824 10 V 2.9064 7.3069 119.0326 65.8162 31.4426 178.0264 11 I 3.5329 7.2026 118.0318 64.3375 37.0752 178.3490 12 K 4.0605 8.1677 117.7160 58.3266 32.0178 178.3986 13 E 4.2417 7.5459 117.7560 56.3051 30.3578 176.7879 14 R 2.0000 6.6265 118.6713 56.0625 30.3396 175.5724 15 R 4.4362 6.1584 122.8122 53.7996 33.0675 175.7501 16 S 4.3654 8.4641 117.6073 58.6378 63.2824 173.9033 17 V 4.2064 8.5906 125.6385 61.1375 33.0184 175.2098 18 R 4.3664 8.3325 124.8545 56.1601 31.8839 176.2256 19 T 4.3009 7.1258 113.4477 61.3159 71.3183 173.0696 20 F 5.2363 8.3490 123.2656 55.7403 42.4827 174.8231 21 T 4.4927 8.5931 113.5785 60.6398 69.9176 174.8337 22 D 4.5541 8.5271 120.1731 55.5712 40.8941 177.1216 23 K 4.0077 7.6020 121.0141 55.9274 32.6437 176.3525 24 A 4.1387 8.5719 129.2438 52.1400 18.9784 176.7029 25 V 4.4806 8.1325 121.4605 60.7454 32.7876 175.9595 26 E 4.1237 8.7509 127.7537 56.0645 30.9117 177.6201 27 K 3.8945 8.7729 124.4337 60.0219 32.3392 178.6973 28 D 4.4502 8.0544 118.2416 56.7585 40.7036 178.3404 29 L 3.9982 7.8893 120.9377 57.9673 42.1620 178.7636 30 L 4.0928 7.6838 118.7719 57.9948 41.5604 179.5441 31 I 3.7333 7.8699 119.6969 64.2458 37.0040 177.9881 32 E 3.9555 8.2633 120.1130 59.5116 29.5089 179.0225 33 L 4.0183 8.2816 119.1425 57.7081 41.4080 179.5191 34 L 4.1055 8.0949 118.2638 57.8374 41.7189 178.9622 35 N 4.5868 8.5111 116.5879 56.5055 38.6189 177.1039 36 D 4.5729 8.2645 120.0694 57.5376 40.9717 178.8363 37 A 4.0350 8.2492 121.2929 55.0061 18.0694 179.4102 38 T 3.4174 7.4834 107.2131 63.5947 68.7729 175.4532 39 W 4.2558 7.7778 119.0191 57.1274 28.8044 176.1790 40 A 4.2157 7.4513 121.9705 51.3866 18.2976 176.4212 41 P 4.4377 0.0000 0.0000 63.0927 31.9237 176.1586 42 N 4.7492 8.5742 118.9250 51.6978 38.5960 173.2553 43 H 4.2123 8.9170 123.7806 57.5313 30.2704 175.3912 44 K 3.7728 8.8458 123.7243 56.6760 29.3906 175.0667 45 H 4.2281 7.9583 113.8968 56.9875 26.5849 176.4534 46 R 3.7586 7.5494 117.9524 57.2807 30.4464 177.0886 47 E 2.0000 8.1048 117.3404 56.2466 26.8876 173.8321 48 P 3.9295 0.0000 0.0000 62.6785 32.6683 177.5994 49 W 4.0783 5.6324 117.4880 56.7980 28.6248 175.0724 50 N 4.8878 8.1460 116.2704 52.0801 42.7476 173.2033 51 C 5.4200 8.4197 117.6300 57.9993 32.6232 173.5248 52 K 4.4966 9.0401 120.7230 54.5485 34.8660 174.7441 53 L 4.8835 8.3446 127.2962 53.5765 43.7999 174.7387 54 Y 4.8144 9.2901 124.9550 56.2454 40.2330 174.9548 55 I 4.8502 7.9916 116.7985 58.6489 41.3729 177.0813 56 G 3.7807 8.8933 112.2952 47.0329 0.0000 177.2446 57 E 4.1580 8.8393 122.7467 57.9320 29.9658 179.0233 58 G 3.7407 8.1890 107.1954 47.6804 0.0000 175.7765 59 R 4.1106 7.8814 119.7775 59.2444 29.9239 178.9761 60 K 3.9222 7.9575 118.2159 59.5124 32.0467 179.2494 61 K 3.9389 7.9360 118.4592 59.4219 31.9892 179.1768 62 L 3.6407 7.6564 120.0088 57.8504 41.9988 178.8246 63 V 3.1429 7.8249 118.3610 65.9662 31.4284 177.3738 64 D 4.2164 8.3472 117.7815 57.4004 40.8106 178.1306 65 A 3.9826 7.7183 120.0783 54.9563 18.6204 179.6271 66 V 3.5155 7.8108 116.7255 66.2204 31.5139 178.4588 67 L 3.4243 7.8759 118.8145 57.2965 41.1487 178.8409 68 N 4.4903 7.8583 115.2783 54.9312 38.6682 176.6413 69 S 4.4396 7.6322 114.5822 58.8439 63.8213 174.3366 70 F 4.9664 6.9178 121.6610 56.7086 40.0493 175.9445 71 T 4.2640 8.1918 113.6910 61.5715 70.8246 175.3423 72 E 4.0750 8.6300 120.1523 59.2118 29.2966 178.9937 73 E 3.8713 8.1380 119.2562 59.3836 29.8347 178.3720 74 E 3.7966 8.0064 118.0931 59.4859 29.6086 179.5232 75 R 4.1717 8.2538 118.4182 59.3332 29.9000 178.5291 76 A 3.9955 7.8375 119.8396 55.6104 18.5096 178.8736 77 K 3.9245 8.2032 117.5740 59.2572 32.5375 178.3535 78 R 4.3333 9.1443 118.4364 57.1720 30.5513 178.9330 79 G 3.8233 7.9632 106.6700 47.9720 0.0000 175.6368 80 K 4.0238 7.9873 121.7697 58.7995 32.3817 178.6314 81 I 3.7202 7.7659 119.7078 64.4146 37.1007 177.9784 82 L 4.0513 8.0813 120.9378 58.2936 41.9738 178.8481 83 S 4.0384 8.0340 113.1021 61.3358 62.3704 175.8894 84 D 4.3706 8.3160 121.6343 57.3591 40.4182 178.7344 85 R 3.9995 7.8897 117.5463 59.6810 30.6345 178.1758 86 F 4.3122 8.7114 117.6093 60.4282 38.7473 176.9546 87 L 4.5673 8.0948 115.9568 55.4165 41.7297 177.9641 88 S 4.9898 7.7096 113.4065 57.2156 63.6722 173.4000 89 T 4.6321 7.2415 118.8596 61.6485 69.8064 172.2749 90 P 4.5132 0.0000 0.0000 65.5711 31.9827 176.7211 91 A 4.9208 7.8001 118.9841 50.6167 23.2212 175.3414 92 Q 4.8934 9.0864 119.1843 54.0384 32.6685 174.7291 93 I 4.9250 8.9866 124.4298 59.4784 40.4746 174.7559 94 V 4.3628 8.9084 128.6179 62.1840 32.8256 174.6865 95 V 4.8682 8.9198 129.3839 61.7620 33.5751 174.1203 96 Y 5.2589 8.1803 126.1581 54.9326 41.5860 172.9336 *98 N 4.9570 8.6832 115.0257 53.7401 40.0691 174.1457 99 E 4.3118 9.5228 124.3477 55.6555 30.7190 176.0265 100 D 4.5804 8.7334 125.0104 53.1603 41.9850 174.4800 101 P 4.4067 0.0000 0.0000 64.5014 31.9105 176.2488 102 R 4.5891 8.3483 119.7674 54.4391 32.1451 176.7840 103 Q 3.9609 8.7926 123.2306 59.4638 29.0548 178.8539 104 I 3.6840 7.6747 120.0845 64.4734 37.2143 178.2447 105 Q 4.1285 8.0200 118.2569 58.9728 28.5636 178.5667 106 R 3.9068 7.9930 119.5188 59.7516 30.1370 178.0620 107 D 4.4182 8.6292 118.7553 57.6289 40.7629 178.8372 108 E 4.0582 8.4937 119.0396 59.4788 29.4323 179.1016 109 D 4.3414 8.5852 119.3955 57.5640 40.8682 178.2428 110 Y 4.0569 8.4602 119.9570 60.6335 38.8261 178.0051 111 A 4.1559 8.4755 121.5311 55.0996 18.4531 179.3317 112 A 4.2807 8.3824 119.5112 55.9657 18.2879 180.0416 113 T 4.1588 8.0480 112.8641 67.0601 68.5541 176.4091 114 C 4.5560 8.2301 117.7247 62.7351 28.4233 175.7149 115 A 4.2786 8.2936 122.3802 55.0904 17.9297 179.5867 116 F 3.8512 8.1706 116.9043 59.4758 39.6783 176.4557 *118 Q 4.2948 7.9688 118.9325 55.9940 30.7509 176.5268 119 N 4.1551 8.4186 115.7757 56.6032 38.5575 176.8317 120 F 3.7630 7.9668 121.5338 61.4054 39.4918 177.0706 121 Q 4.0134 8.0439 116.9727 58.9590 28.5892 178.8497 122 L 3.9778 7.8692 119.8595 57.7048 41.1719 179.4195 123 L 3.8689 7.9905 118.9158 57.8035 41.4805 179.4280 124 A 3.7334 7.8732 120.9062 54.8044 18.1283 179.5237 125 W 4.0929 8.0557 126.5432 60.6340 30.6134 177.8645 126 E 4.1450 8.1485 118.0286 58.9259 29.0956 177.9995 127 R 4.4042 7.3858 114.7708 55.6939 30.3988 177.1690 128 G 3.6908 7.9129 107.3505 45.1793 0.0000 172.8498 129 L 4.3053 7.9868 122.3193 53.5076 43.0174 176.4406 130 G 4.2943 9.4761 113.8085 45.5487 0.0000 172.0079 131 C 5.6120 8.3639 116.1706 58.3572 33.1455 173.5922 132 V 4.7602 9.0061 121.6442 59.7701 34.4815 174.4987 133 W 5.0558 9.1051 134.9404 56.4588 30.7276 175.2187 134 K 4.6174 9.8024 128.8152 55.7891 33.1197 178.0251 135 S 4.9459 8.7487 116.6898 58.0124 65.7174 175.7875 136 G 3.9884 7.9986 110.7378 45.2344 0.0000 174.3280 137 G 3.7659 8.7546 104.6100 47.1624 0.0000 175.2287 138 L 3.9925 8.1787 122.6269 58.6368 41.7482 178.5689 139 N 4.6904 8.0886 114.0250 55.3799 38.5477 175.2201 140 Y 4.4835 7.8679 116.2096 57.7510 39.3128 175.7854 141 N 4.6221 8.2633 120.3983 52.5897 39.7915 173.5321 142 P 4.3069 0.0000 0.0000 65.9628 31.3386 178.4271 143 L 4.0202 8.5512 119.3394 57.4102 41.4541 179.2094 144 F 4.1503 8.4160 120.1709 61.3509 39.4949 176.7468 145 I 3.4007 7.8899 119.6285 64.5237 36.9144 177.7811 146 E 3.9008 8.2600 119.6775 59.3686 29.2804 178.8749 147 G 3.6554 7.6969 104.4952 47.4263 0.0000 174.5253 148 I 4.1696 7.1430 112.1125 60.2343 38.0085 176.1412 149 G 3.7284 7.9595 108.5041 46.2948 0.0000 173.6335 150 L 4.4485 7.5218 118.7117 53.0124 43.0425 176.0825 151 T 4.5529 8.6979 111.5558 59.2550 71.2629 173.9486 152 R 3.8788 8.1898 117.6351 57.5568 29.9361 176.9121 153 G 3.8611 8.9333 107.2680 45.7056 0.0000 172.6225 154 Q 4.6870 7.6189 117.9801 53.8786 30.1071 175.0056 155 R 4.3961 8.4290 123.9424 54.7281 31.3130 175.2160 156 I 4.4799 8.1950 126.5297 61.0849 37.5752 175.9604 157 V 3.9495 8.8497 126.5914 63.8852 31.9646 175.4991 158 G 4.2813 6.9909 105.6235 46.4506 0.0000 171.4683 159 I 5.0808 8.2889 120.5877 59.3867 40.0088 175.1797 160 L 4.9892 9.1605 128.2411 53.9350 43.3384 175.2050 161 H 5.1536 9.1329 121.6676 54.1539 30.9912 173.9758 162 I 4.8124 8.3840 123.5714 59.0989 41.5532 174.8735 163 G 3.7855 7.9401 112.3769 46.0516 0.0000 171.8578 164 Y 5.0658 7.8066 117.5471 57.9016 39.3599 175.1765 165 F 5.2672 8.2386 114.7178 56.0108 40.5736 173.8114 166 D 4.8818 8.7906 120.0492 52.8021 40.1744 175.7141 167 K 4.7695 7.9543 117.3159 55.9122 35.4329 174.9429 168 A 4.7142 8.2746 122.3313 49.6053 22.2814 174.3560 169 P 4.3713 0.0000 0.0000 62.3984 31.9166 176.2444 170 E 4.1045 8.5497 121.0587 55.8410 30.2702 176.7673 171 G 3.6248 8.4360 112.9265 45.3426 0.0000 172.8287 172 K 4.3015 8.3418 124.5839 54.0678 33.3428 176.0406 173 A 4.0618 8.5003 129.3648 52.5737 18.9050 176.9587 174 R 4.3855 8.2272 121.0061 55.2104 31.5152 176.3567 175 T 4.2112 8.1467 111.0138 60.1669 70.1835 172.8901 176 P 4.2348 0.0000 0.0000 63.1158 32.0688 177.1918 177 I 3.8367 8.3507 121.5916 63.7987 38.3128 178.0206 178 T 3.9019 7.8900 109.5883 64.3935 68.4967 174.7473 179 E 4.2789 7.7932 119.3185 57.4388 29.7183 176.7036 180 K 4.5024 7.9023 119.2606 55.7905 33.2571 175.8898 *182 E 3.9704 8.2110 118.2705 56.0837 30.4468 174.3752 183 I 4.1906 8.3306 126.9780 59.9365 38.0283 175.0961 184 I 4.3160 8.2785 127.0842 59.8198 37.7230 174.9822 185 E 4.5579 8.4407 124.9978 55.1181 31.3033 175.8167 186 G 3.7888 7.8847 111.4533 47.1004 0.0000 173.0523 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 0 A 8.26 4.13 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 *2 T 7.56 4.14 4.43 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 1.28 0.00 0.00 3 T 8.11 4.43 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 1.13 0.00 0.00 4 Y 7.64 4.29 0.00 3.07 3.12 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 5 T 8.64 4.31 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 1.23 0.00 0.00 6 S 7.62 4.69 0.00 3.86 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 7 I 8.41 3.82 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 1.56 0.44 0.91 0.00 0.00 8 A 7.78 3.95 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 9 N 7.87 4.30 0.00 3.15 3.11 0.00 0.00 6.64 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 10 V 7.31 2.91 2.01 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 1.08 0.00 0.00 0.39 0.00 0.00 11 I 7.20 3.53 1.90 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 1.45 0.56 0.84 0.00 0.00 12 K 8.17 4.06 0.00 1.64 1.82 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.68 7.81 13 E 7.55 4.24 0.00 2.17 2.18 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 2.39 2.35 0.00 14 R 6.63 2.00 0.00 1.16 1.40 0.00 3.15 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.42 0.00 15 R 6.16 4.44 0.00 1.70 1.68 0.00 3.40 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 16 S 8.46 4.37 0.00 3.82 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 17 V 8.59 4.21 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 0.44 0.00 0.00 0.41 0.00 0.00 18 R 8.33 4.37 0.00 1.70 1.85 0.00 3.16 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 19 T 7.13 4.30 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 1.18 0.00 0.00 20 F 8.35 5.24 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.59 4.49 4.31 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 1.29 0.00 0.00 22 D 8.53 4.55 0.00 2.73 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 23 K 7.60 4.01 0.00 1.74 1.89 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.34 1.25 7.81 24 A 8.57 4.14 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 25 V 8.13 4.48 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.77 0.00 0.00 26 E 8.75 4.12 0.00 2.06 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 2.45 2.34 0.00 27 K 8.77 3.89 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 28 D 8.05 4.45 0.00 2.75 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 29 L 7.89 4.00 0.00 1.79 1.91 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.68 4.09 0.00 2.01 1.73 0.99 0.77 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 31 I 7.87 3.73 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 1.42 0.71 0.94 0.00 0.00 32 E 8.26 3.96 0.00 2.13 2.19 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 2.33 2.39 0.00 33 L 8.28 4.02 0.00 1.95 1.46 0.73 0.82 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 34 L 8.09 4.11 0.00 1.83 1.84 0.87 0.51 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 35 N 8.51 4.59 0.00 3.03 2.99 0.00 0.00 7.03 7.95 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 36 D 8.26 4.57 0.00 2.88 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 A 8.25 4.03 1.07 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 0.00 0.00 38 T 7.48 3.42 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 39 W 7.78 4.26 0.00 3.56 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 40 A 7.45 4.22 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 41 P 0.00 4.44 0.00 2.28 2.17 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 42 N 8.57 4.75 0.00 2.79 3.11 0.00 0.00 5.88 7.90 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 43 H 8.92 4.21 0.00 3.22 3.24 0.00 5.98 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.85 3.77 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.93 1.25 7.81 45 H 7.96 4.23 0.00 3.19 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.55 3.76 0.00 1.65 1.80 0.00 3.21 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 47 E 8.10 2.00 0.00 1.56 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 2.07 2.11 0.00 48 P 0.00 3.93 0.00 1.98 1.91 0.00 2.54 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 49 W 5.63 4.08 0.00 2.72 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 50 N 8.15 4.89 0.00 1.44 1.91 0.00 0.00 6.78 7.20 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 51 C 8.42 5.42 0.00 2.77 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 52 K 9.04 4.50 0.00 1.79 1.41 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.49 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.53 7.81 53 L 8.34 4.88 0.00 1.53 1.45 0.92 0.88 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 54 Y 9.29 4.81 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.99 4.85 1.89 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 1.27 0.76 0.91 0.00 0.00 56 G 8.89 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 57 E 8.84 4.16 0.00 2.19 2.24 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 2.38 2.33 0.00 58 G 8.19 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 0.00 0.00 0.00 59 R 7.88 4.11 0.00 2.11 2.12 0.00 3.44 0.00 0.00 3.42 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.79 0.00 60 K 7.96 3.92 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.53 7.81 61 K 7.94 3.94 0.00 2.01 1.95 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.69 7.81 62 L 7.66 3.64 0.00 0.27 1.47 0.89 0.80 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 63 V 7.82 3.14 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 0.81 0.00 0.00 0.85 0.00 0.00 64 D 8.35 4.22 0.00 2.78 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 65 A 7.72 3.98 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 66 V 7.81 3.52 1.76 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 0.45 0.00 0.00 0.79 0.00 0.00 67 L 7.88 3.42 0.00 1.53 1.57 0.84 0.46 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 68 N 7.86 4.49 0.00 2.72 2.85 0.00 0.00 7.02 7.37 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 69 S 7.63 4.44 0.00 4.31 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 70 F 6.92 4.97 0.00 3.09 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 71 T 8.19 4.26 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 72 E 8.63 4.08 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 73 E 8.14 3.87 0.00 2.02 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 2.36 2.39 0.00 74 E 8.01 3.80 0.00 1.81 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 2.05 2.09 0.00 75 R 8.25 4.17 0.00 2.20 2.01 0.00 3.29 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 76 A 7.84 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 120 F 7.97 3.76 0.00 2.59 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 0.00 121 Q 8.04 4.01 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 122 L 7.87 3.98 0.00 1.80 1.66 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.99 3.87 0.00 1.52 1.55 0.91 1.11 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 0.00 124 A 7.87 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.06 4.09 0.00 3.63 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 0.00 126 E 8.15 4.14 0.00 2.14 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 2.37 2.48 0.00 127 R 7.39 4.40 0.00 1.94 1.97 0.00 3.42 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 128 G 7.91 3.69 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 0.00 0.00 0.00 129 L 7.99 4.31 0.00 1.45 1.58 -0.10 1.08 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 0.00 130 G 9.48 4.29 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 0.00 131 C 8.36 5.61 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 9.01 4.76 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 0.87 0.00 0.00 1.00 0.00 0.00 133 W 9.11 5.06 0.00 3.48 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.80 4.62 0.00 1.82 1.79 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.38 7.81 135 S 8.75 4.95 0.00 3.84 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 0.00 136 G 8.00 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 0.00 137 G 8.75 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 0.00 138 L 8.18 3.99 0.00 1.75 1.63 0.53 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.09 4.69 0.00 2.96 2.83 0.00 0.00 6.98 8.61 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 0.00 140 Y 7.87 4.48 0.00 2.98 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 0.00 141 N 8.26 4.62 0.00 2.94 3.04 0.00 0.00 6.83 7.61 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 0.00 142 P 0.00 4.31 0.00 2.33 2.34 0.00 3.84 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 143 L 8.55 4.02 0.00 1.93 1.80 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.42 4.15 0.00 3.03 3.35 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 0.00 145 I 7.89 3.40 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.83 0.00 0.00 146 E 8.26 3.90 0.00 2.00 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 0.00 2.26 2.30 0.00 147 G 7.70 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 0.00 0.00 0.00 0.00 148 I 7.14 4.17 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.41 0.42 0.00 0.00 149 G 7.96 3.73 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 0.00 0.00 0.00 150 L 7.52 4.45 0.00 1.55 1.37 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.70 4.55 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 1.17 0.00 0.00 152 R 8.19 3.88 0.00 1.95 1.98 0.00 3.11 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 153 G 8.93 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 0.00 154 Q 7.62 4.69 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.54 2.26 0.00 155 R 8.43 4.40 0.00 2.14 1.93 0.00 3.26 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 156 I 8.19 4.48 1.97 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 1.32 1.07 1.11 0.00 0.00 157 V 8.85 3.95 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 0.47 0.00 0.00 0.81 0.00 0.00 158 G 6.99 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 0.00 0.00 0.00 0.00 159 I 8.29 5.08 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.93 0.00 0.00 160 L 9.16 4.99 0.00 1.32 1.44 0.30 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 161 H 9.13 5.15 0.00 3.15 3.21 0.00 5.57 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 0.00 162 I 8.38 4.81 1.74 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 1.33 1.36 0.91 0.00 0.00 163 G 7.94 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 0.00 0.00 0.00 164 Y 7.81 5.07 0.00 3.08 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 0.00 165 F 8.24 5.27 0.00 3.15 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 0.00 166 D 8.79 4.88 0.00 2.75 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 0.00 167 K 7.95 4.77 0.00 1.87 1.83 0.00 1.44 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.56 7.81 168 A 8.27 4.71 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 0.00 169 P 0.00 4.37 0.00 2.17 2.05 0.00 3.84 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 170 E 8.55 4.10 0.00 1.97 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 2.29 2.31 0.00 171 G 8.44 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 0.00 172 K 8.34 4.30 0.00 1.69 1.68 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.39 7.81 173 A 8.50 4.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.23 4.39 0.00 1.79 1.84 0.00 3.33 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 175 T 8.15 4.21 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 1.19 0.00 0.00 176 P 0.00 4.23 0.00 2.19 2.03 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 177 I 8.35 3.84 1.86 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 1.47 1.46 0.91 0.00 0.00 178 T 7.89 3.90 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 0.00 179 E 7.79 4.28 0.00 2.17 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 2.27 0.00 180 K 7.90 4.50 0.00 1.77 1.74 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.32 7.81 *182 E 8.21 3.97 0.00 1.95 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 2.19 2.34 0.00 183 I 8.33 4.19 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 1.41 0.71 0.96 0.00 0.00 184 I 8.28 4.32 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 0.44 0.91 0.00 0.00 185 E 8.44 4.56 0.00 1.88 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 2.17 2.26 0.00 186 G 7.88 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.