NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1761 7.8827 120.7975 61.0103 40.1756 177.3727 4 E 3.8571 8.0638 120.5837 57.7113 29.4643 177.0795 5 K 3.8849 8.1267 119.7088 59.2815 32.6671 177.5511 6 L 3.8924 7.9655 118.7365 58.3798 42.0090 178.5862 7 K 4.0425 8.3963 118.0634 59.6739 31.8653 179.3185 8 A 3.9924 8.1915 119.3708 54.8528 18.3090 179.2006 9 A 4.0892 8.3274 118.9496 53.5120 18.6989 178.2020 10 L 3.8573 7.0352 118.4802 54.1283 42.2783 175.5787 11 P 4.3099 0.0000 0.0000 61.9859 32.3236 176.8597 12 E 3.8367 8.4106 119.0025 59.3900 29.5283 177.5429 13 Y 4.4995 7.2798 113.0508 57.7063 38.3916 175.3040 14 A 4.7874 7.4334 123.4906 51.7379 19.8507 178.6565 15 K 3.8345 7.9254 121.7406 61.5621 32.0304 178.6191 16 D 4.3574 8.0776 118.2945 57.4273 40.7707 178.7094 17 I 3.6733 7.6367 120.2400 64.1621 37.1178 178.1112 18 K 3.7980 8.0152 119.8235 59.6881 32.0752 178.1984 19 L 3.9714 8.0241 119.0267 58.3295 41.6451 179.6044 20 N 4.3817 8.3277 116.0303 56.0466 38.3258 177.2702 21 L 3.9377 8.3044 122.3293 58.0439 41.9721 179.3361 22 S 4.1430 8.1431 115.3861 61.6162 62.8636 176.7666 23 S 4.0749 7.8421 116.4660 61.5899 62.5010 176.3336 24 I 3.6552 7.6373 121.2429 63.4861 37.8005 176.8784 25 T 4.0406 7.4314 111.5743 63.3185 67.3527 174.9285 26 R 4.3975 7.2002 116.7756 56.8014 32.0824 175.8082 27 S 4.2118 7.7450 115.1012 58.5076 65.4720 173.5407 28 S 4.0768 8.9646 119.4274 58.7919 60.2684 174.5144 29 V 3.7406 9.3449 119.5195 63.0860 31.1669 170.2714 30 L 4.7483 7.4296 117.6644 52.7234 43.9358 176.6924 31 D 4.7332 8.3001 122.0206 52.5463 41.9231 177.0931 32 Q 4.1921 8.7488 119.9356 59.7200 28.8219 178.2354 33 E 4.2264 8.4123 119.5352 59.4193 29.6985 178.5872 34 Q 4.1724 8.7976 118.3050 58.9360 28.8083 178.6401 35 L 3.9334 8.7242 121.5918 58.0905 42.2879 178.9234 36 W 4.1341 8.9335 118.9204 58.8669 29.0748 178.9702 37 G 2.9836 8.4121 106.4050 47.6244 0.0000 176.0854 38 T 4.0543 7.9304 118.2191 66.5369 68.5421 176.9794 39 L 3.9306 7.8061 120.7765 57.0617 41.4260 179.3539 40 L 3.9052 7.7416 120.3357 57.9201 42.1510 178.5638 41 A 3.8837 7.6766 120.6597 55.2262 18.0416 179.9101 42 S 3.9815 8.0027 113.3261 61.6569 62.7438 176.6262 43 A 3.9557 7.6668 121.9135 55.0697 18.4120 179.2159 44 A 4.0362 8.3464 119.3489 55.3723 18.3090 179.8254 45 A 4.0241 7.8575 117.9543 55.0784 18.4521 179.4834 46 T 3.9708 7.7552 107.4100 62.5410 69.0059 175.5985 47 R 3.7872 7.3938 118.5029 56.7800 28.6525 175.0016 48 N 4.6658 7.8196 117.5609 52.0050 39.6795 173.8711 49 P 4.2403 0.0000 0.0000 65.8372 31.4471 178.3059 50 Q 3.9461 8.0415 117.7316 59.2697 28.9892 178.4043 51 V 3.5673 7.7007 118.7535 65.8873 31.5741 177.6301 52 L 3.9691 7.9072 119.5213 57.8285 41.7708 178.7794 53 A 3.9780 8.0726 120.8857 55.3977 17.8497 179.4461 54 D 4.3335 8.3384 117.5767 57.5801 40.8572 179.1091 55 I 4.1759 8.0332 120.4996 64.0636 37.2796 178.7085 56 G 3.5725 8.5996 107.0854 47.6165 0.0000 175.7156 57 A 4.0980 7.6247 122.5062 54.7205 18.5135 178.8712 58 E 3.9156 7.8674 116.5836 58.8230 29.8666 178.4331 59 A 3.8153 8.2885 120.8861 54.5664 18.1110 179.5314 60 T 3.7596 7.1154 106.9938 64.9194 68.8478 175.6101 61 D 4.4729 7.4281 118.5975 54.9242 41.1841 176.4346 62 H 4.7299 7.5913 114.8940 55.2307 30.7242 174.0530 63 L 4.9516 7.7546 118.5923 52.0735 45.0775 177.0371 64 S 4.4489 8.4284 115.9134 57.8763 65.3370 175.2966 65 A 4.0202 8.6358 124.4667 54.8661 17.9886 179.7660 66 A 4.1795 7.9799 118.8249 54.4916 18.8319 179.5188 67 A 4.1830 7.8170 119.3817 55.4463 18.5856 179.4636 68 R 3.6825 8.0804 117.3840 59.9866 30.0113 177.9325 69 H 4.0557 7.9242 115.9147 59.4622 29.9516 177.1595 70 A 4.3211 8.4862 122.4468 54.9798 18.3409 179.5740 71 A 3.6368 8.6715 120.0141 55.3616 18.4872 179.9955 72 L 4.0768 8.1978 117.6802 57.4758 41.5997 179.9029 73 G 3.7330 8.1691 105.8140 47.2995 0.0000 175.8604 74 A 3.9736 7.9632 122.3547 54.8955 18.4438 179.1889 75 A 4.0411 7.6768 117.7137 55.1816 18.5466 179.4267 76 A 4.1697 7.6844 117.9687 55.0843 18.6800 181.5627 77 I 4.0988 7.7426 110.3979 61.0858 37.9520 177.0235 *79 G 3.7684 7.9091 107.0230 46.6997 0.0000 173.8957 *81 N 4.9550 7.9844 118.2124 53.3174 40.3768 176.4582 82 N 4.4287 8.2606 113.4356 55.3205 38.8088 176.8996 83 V 3.8925 7.6029 119.5026 65.1590 32.0649 177.3781 84 F 3.9201 7.9554 119.7073 61.6641 39.3269 176.5930 85 Y 3.6678 8.0585 116.5168 60.6518 37.3568 178.4186 86 R 3.6029 7.8070 118.6230 59.1011 30.5260 178.3897 87 G 3.4443 7.6711 105.3435 47.8104 0.0000 175.6581 88 R 3.7717 7.6347 122.1185 58.7866 29.7161 178.7828 89 G 3.5842 7.7589 104.6829 47.2203 0.0000 175.0902 90 F 4.8453 7.6590 118.4513 58.8106 39.8693 176.1791 91 L 4.5539 7.8924 120.2726 56.0261 41.3856 176.3779 92 E 3.9286 9.4051 111.5161 57.3625 27.6339 176.7581 93 G 4.0370 8.3871 104.1226 46.1152 0.0000 176.4555 94 R 3.8603 8.3164 119.0168 58.3246 30.1643 177.0451 95 Y 4.6001 7.8526 113.7832 57.6190 38.7812 177.0056 96 D 4.5119 8.1583 122.6752 56.5932 40.9951 177.3439 97 D 4.8343 8.0214 116.5861 52.9260 39.9269 176.0760 98 L 4.4942 7.4195 119.9863 53.6169 42.8845 176.2917 99 R 4.2918 8.3569 122.1924 54.6520 29.9013 175.1886 100 P 3.8874 0.0000 0.0000 64.1171 31.0652 177.3313 101 G 4.4731 7.4146 104.6861 46.0112 0.0000 172.6056 102 L 4.5068 7.0064 118.9733 52.2812 43.0159 176.9055 103 R 4.2522 8.4018 123.6501 56.4333 31.0093 177.1835 104 M 4.8633 8.2686 119.9738 53.8435 31.1308 176.4967 105 N 4.2856 8.6622 119.4199 57.5082 39.2624 177.3176 106 I 3.4443 7.8692 117.9453 63.9217 38.4525 177.5723 107 I 3.3593 7.7032 120.1133 64.0752 37.0626 176.2104 108 A 4.1702 7.3304 121.9998 52.4565 19.3527 177.0290 109 N 4.0686 8.5409 119.3599 53.3815 35.2949 172.3246 110 P 4.5115 0.0000 0.0000 63.2393 32.4495 177.9250 111 G 4.0989 9.3791 107.5841 45.2366 0.0000 172.9680 112 I 4.3482 6.9182 111.3528 59.2249 39.7545 171.4060 113 P 4.3670 0.0000 0.0000 63.0417 31.5471 177.1028 114 K 3.9297 8.8119 123.6830 59.3718 31.8872 178.3064 115 A 3.9287 7.9906 120.4996 55.5285 18.2466 179.3784 116 N 3.7597 8.1266 114.9003 55.7975 38.3513 177.5622 117 F 4.0005 7.7610 121.6899 61.3870 39.7156 176.9212 118 E 3.9314 8.3281 118.1399 59.1361 29.1746 179.2027 119 L 3.8887 7.3460 120.2262 57.9549 42.0837 179.1178 120 W 4.4474 7.9038 119.0256 59.8260 28.9745 178.8033 121 S 3.9618 8.1689 115.3709 60.9695 62.2023 176.5718 122 F 4.0936 8.0019 123.2401 61.1421 39.1014 176.7641 123 A 3.8455 8.0693 120.3864 55.4524 18.2254 179.8432 124 V 3.4928 7.9578 116.5933 66.2273 31.5695 178.3988 125 S 4.1251 8.1493 114.6058 61.2393 62.4725 176.5770 126 A 3.8429 7.4905 123.4473 55.0135 17.8664 179.7649 127 I 3.6152 7.2022 117.5955 64.3565 37.2951 177.8665 128 N 4.5738 8.1960 115.3315 53.0530 39.3934 174.7570 129 G 3.5334 7.5858 107.1776 46.7736 0.0000 174.5562 130 C 4.5984 7.8679 120.0575 57.0942 32.5604 174.0783 131 S 4.1555 8.6070 124.0950 61.5756 62.8184 175.5720 132 H 4.0210 8.1907 121.3642 59.3795 29.5803 176.9328 133 C 4.1621 8.0692 117.9450 62.4741 27.9915 175.4766 134 L 4.0176 8.0692 121.9987 58.5291 41.6630 179.5796 135 V 3.6917 8.0941 112.1017 64.2196 31.3632 178.5116 136 A 3.9361 7.8600 120.0825 55.5244 18.1771 179.4388 137 H 4.3323 8.3725 114.9003 58.9168 28.8143 177.5928 138 E 3.7357 8.7065 121.4902 59.6648 29.5156 178.4050 139 H 4.2062 8.4361 118.2290 59.4919 29.9107 177.3054 140 T 3.7682 8.1544 117.7047 66.5236 68.2944 176.3338 141 L 3.8667 8.0425 120.9459 58.1900 41.7306 180.0409 142 R 4.1008 8.0374 117.5032 59.2760 29.6695 179.4381 143 T 3.8403 7.3965 115.1398 66.5367 68.4761 176.3450 144 V 4.0974 7.3797 111.4992 60.9995 31.8070 176.2779 145 G 3.7956 7.7328 105.8001 46.6493 0.0000 174.4841 146 V 3.9612 7.4808 118.9680 61.1939 32.8131 175.8911 147 D 4.5156 8.3103 125.1754 54.0885 43.2611 177.2356 148 R 3.9313 8.4096 123.0360 59.3045 30.2058 178.5169 149 E 4.1568 8.2876 117.7938 58.7485 29.7373 178.6799 150 A 4.0649 7.7940 120.7068 54.9131 18.6190 179.6281 151 I 3.4259 7.6319 118.1924 64.4556 37.1961 178.3681 152 F 4.2874 8.3284 121.4934 61.3570 39.0240 176.7991 153 E 3.8705 8.3642 118.7309 58.9160 29.3442 178.5587 154 A 4.0159 7.8330 120.5022 55.1212 18.5261 179.2966 155 L 3.8731 8.1717 118.8290 58.2900 42.1826 179.3633 156 K 3.7733 7.8108 118.1480 59.2125 31.9106 179.1732 157 A 3.8676 8.2316 121.0896 55.0501 18.3271 179.3872 158 A 3.9720 8.4918 120.7267 54.7170 18.4277 179.7404 159 A 3.8917 7.9548 119.1012 55.2958 18.3558 179.9966 160 I 3.6055 7.7807 118.3216 64.5210 37.1079 178.8318 161 V 3.5312 7.8798 119.1310 66.0835 31.2710 178.2358 162 S 4.1920 8.1242 115.1418 61.5071 62.6328 176.9408 163 G 3.5953 8.0465 108.5573 47.4624 0.0000 176.0231 164 V 3.5434 7.9539 120.4772 65.7541 31.5086 177.7771 165 A 3.9677 8.1785 120.7863 55.3553 18.2703 179.3772 166 Q 3.8686 8.0939 117.6139 59.1898 29.0031 178.2301 167 A 4.0572 8.0911 121.7104 55.4431 18.4986 179.7421 168 L 3.9387 8.3536 117.5444 57.4696 41.6151 179.5298 169 A 4.0014 8.3001 121.5642 55.5113 18.4154 179.8422 170 T 3.9012 7.8267 108.0332 64.8936 68.9914 176.8212 171 I 3.8130 7.6511 116.1822 63.5479 37.4380 177.8372 172 E 3.8995 8.0692 120.0969 59.1317 29.6026 178.5289 173 A 4.1456 7.8926 119.3086 54.2786 18.5025 178.5175 174 L 4.4997 7.5884 115.0657 54.6163 42.3284 176.8313 175 S 4.3713 7.8910 119.0997 58.2919 63.0519 173.8341 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 I 7.88 4.18 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 1.11 0.00 0.00 4 E 8.06 3.86 0.00 2.22 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 2.38 2.49 0.00 5 K 8.13 3.88 0.00 1.83 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.44 7.81 6 L 7.97 3.89 0.00 1.67 1.94 0.98 0.60 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 7 K 8.40 4.04 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.73 7.81 8 A 8.19 3.99 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 9 A 8.33 4.09 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 10 L 7.04 3.86 0.00 1.68 1.54 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.31 0.00 1.10 1.86 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.47 0.00 12 E 8.41 3.84 0.00 2.02 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 2.39 2.38 0.00 13 Y 7.28 4.50 0.00 3.09 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 14 A 7.43 4.79 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 15 K 7.93 3.83 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.70 7.81 16 D 8.08 4.36 0.00 2.69 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 17 I 7.64 3.67 1.98 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 1.41 0.84 0.87 0.00 0.00 18 K 8.02 3.80 0.00 1.78 2.00 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 19 L 8.02 3.97 0.00 1.88 1.72 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.33 4.38 0.00 2.84 2.83 0.00 0.00 6.69 6.35 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 21 L 8.30 3.94 0.00 1.79 1.80 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.14 4.14 0.00 4.12 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 23 S 7.84 4.07 0.00 4.05 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 24 I 7.64 3.66 1.89 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 1.29 0.56 0.85 0.00 0.00 25 T 7.43 4.04 4.15 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 0.00 0.00 1.35 0.00 0.00 26 R 7.20 4.40 0.00 2.10 1.87 0.00 3.32 0.00 0.00 3.29 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 27 S 7.74 4.21 0.00 3.99 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 28 S 8.96 4.08 0.00 3.88 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 29 V 9.34 3.74 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 0.87 0.00 0.00 0.96 0.00 0.00 30 L 7.43 4.75 0.00 1.67 1.58 0.94 1.07 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 31 D 8.30 4.73 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.75 4.19 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 33 E 8.41 4.23 0.00 2.23 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 2.86 2.67 0.00 34 Q 8.80 4.17 0.00 2.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 35 L 8.72 3.93 0.00 1.90 1.64 0.75 0.89 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 36 W 8.93 4.13 0.00 3.59 3.33 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 37 G 8.41 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 0.00 0.00 0.00 38 T 7.93 4.05 4.51 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 0.00 0.00 0.00 1.25 0.00 0.00 39 L 7.81 3.93 0.00 1.39 1.44 -0.39 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.74 3.91 0.00 1.87 1.51 0.91 1.12 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 41 A 7.68 3.88 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 42 S 8.00 3.98 0.00 3.87 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 43 A 7.67 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.35 4.04 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 45 A 7.86 4.02 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 46 T 7.76 3.97 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 1.30 0.00 0.00 47 R 7.39 3.79 0.00 2.01 2.06 0.00 3.15 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 48 N 7.82 4.67 0.00 2.78 2.68 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.24 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 50 Q 8.04 3.95 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.95 1.67 0.00 111 G 9.38 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 0.00 112 I 6.92 4.35 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.49 1.10 0.00 0.00 113 P 0.00 4.37 0.00 2.20 2.23 0.00 3.78 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 2.01 1.98 0.00 114 K 8.81 3.93 0.00 1.80 1.93 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.53 7.81 115 A 7.99 3.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.13 3.76 0.00 2.19 1.43 0.00 0.00 6.72 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 0.00 117 F 7.76 4.00 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.33 3.93 0.00 2.15 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 2.58 2.51 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0.00 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 1.46 0.50 0.88 0.00 0.00 128 N 8.20 4.57 0.00 2.69 2.86 0.00 0.00 7.10 7.13 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 0.00 129 G 7.59 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.87 4.60 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.61 4.16 0.00 4.12 4.15 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 0.00 0.00 0.00 132 H 8.19 4.02 0.00 3.20 3.30 0.00 5.67 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 0.00 133 C 8.07 4.16 0.00 3.14 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 0.00 134 L 8.07 4.02 0.00 1.86 1.83 0.21 0.87 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 0.00 135 V 8.09 3.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.99 0.00 0.00 136 A 7.86 3.94 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 0.00 137 H 8.37 4.33 0.00 3.53 3.60 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.71 3.74 0.00 2.30 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 2.15 2.53 0.00 139 H 8.44 4.21 0.00 3.32 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.15 3.77 4.51 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 0.00 0.00 0.00 1.23 0.00 0.00 141 L 8.04 3.87 0.00 1.93 1.59 0.92 0.95 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 0.00 142 R 8.04 4.10 0.00 1.82 1.94 0.00 3.20 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 143 T 7.40 3.84 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 1.15 0.00 0.00 144 V 7.38 4.10 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 0.68 0.00 0.00 0.96 0.00 0.00 145 G 7.73 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 0.00 146 V 7.48 3.96 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 0.68 0.00 0.00 0.87 0.00 0.00 147 D 8.31 4.52 0.00 2.76 2.50 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 0.00 148 R 8.41 3.93 0.00 1.88 1.86 0.00 3.19 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 149 E 8.29 4.16 0.00 2.05 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 0.00 2.69 2.31 0.00 150 A 7.79 4.06 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 0.00 151 I 7.63 3.43 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.22 0.00 0.00 152 F 8.33 4.29 0.00 3.26 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 0.00 153 E 8.36 3.87 0.00 2.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 154 A 7.83 4.02 1.59 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 0.00 0.00 155 L 8.17 3.87 0.00 2.06 1.85 0.80 0.70 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 0.00 156 K 7.81 3.77 0.00 1.84 1.69 0.00 1.52 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.17 0.81 7.81 157 A 8.23 3.87 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 0.00 158 A 8.49 3.97 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 0.00 159 A 7.95 3.89 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 0.00 160 I 7.78 3.61 1.92 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 1.36 0.65 0.86 0.00 0.00 161 V 7.88 3.53 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 1.10 0.00 0.00 0.90 0.00 0.00 162 S 8.12 4.19 0.00 4.06 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 0.00 163 G 8.05 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 0.00 164 V 7.95 3.54 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 1.07 0.00 0.00 0.96 0.00 0.00 165 A 8.18 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 8.09 3.87 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 167 A 8.09 4.06 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 0.00 168 L 8.35 3.94 0.00 1.90 1.73 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.30 4.00 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 0.00 170 T 7.83 3.90 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 1.36 0.00 0.00 171 I 7.65 3.81 1.89 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 1.54 0.57 0.94 0.00 0.00 172 E 8.07 3.90 0.00 1.99 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 2.33 2.38 0.00 173 A 7.89 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 7.59 4.50 0.00 1.88 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 175 S 7.89 4.37 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.