NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1558 8.4331 116.7553 54.3132 31.7458 174.7861 3 G 3.7070 8.3834 107.4584 46.5126 0.0000 172.7263 4 D 4.3808 8.4860 127.7012 54.6615 40.8980 174.2471 *5 F 4.9038 7.9488 115.4410 54.0776 42.7950 175.2853 6 P 4.4320 0.0000 0.0000 62.4961 31.6064 176.1061 7 M 4.6120 8.3487 122.4322 53.0028 34.4839 173.4990 8 P 4.8094 0.0000 0.0000 61.7221 33.0485 176.1507 9 F 5.3989 8.7628 119.0486 56.7922 39.4512 174.1994 10 I 5.3857 8.5651 119.5649 58.8330 37.8744 174.1884 11 S 4.6816 8.7016 121.9340 57.4655 65.5426 173.3050 12 A 4.9845 8.2074 120.9774 50.1756 20.3718 176.2983 13 K 4.1811 9.0831 123.5385 59.3520 32.6122 178.1843 14 S 4.5521 7.7956 113.8390 56.2616 65.0412 172.8589 15 S 4.2446 8.2214 115.2030 57.7320 62.5769 172.0041 16 P 4.3204 0.0000 0.0000 64.1659 32.3347 175.6723 17 V 4.2257 7.2813 114.8419 60.0808 32.4760 175.0082 18 I 4.4146 8.0902 127.4163 58.5368 39.3763 174.3190 19 P 4.6348 0.0000 0.0000 63.2704 32.1592 176.6889 20 L 3.0405 8.2092 117.0210 55.9242 42.6534 175.9076 21 D 5.0897 7.6393 114.0561 53.4265 42.4589 178.3813 22 G 4.1952 8.0663 109.1684 45.2223 0.0000 172.8422 23 S 5.0619 8.1515 112.7316 57.0966 65.9532 174.0137 24 V 4.5948 8.4669 120.3976 58.6315 35.4033 173.9807 25 K 4.9685 8.5070 122.5195 54.9001 34.3959 174.7279 26 I 5.0458 8.6113 127.8673 59.5899 40.8144 174.4095 27 Q 5.1811 8.9180 125.0428 54.8598 32.1703 173.5094 28 C 4.9480 9.2913 124.0145 55.3254 42.6198 173.1712 29 Q 3.5191 7.7080 122.9125 55.0874 29.0020 175.9204 30 A 4.1358 9.0436 130.2142 52.3931 19.1387 177.1752 31 I 4.3113 8.2934 124.1925 59.7670 38.7856 176.8541 32 R 3.8958 8.6765 124.9893 59.2232 29.3802 174.7160 33 E 4.1508 8.0499 114.0250 56.3350 29.8982 175.3159 34 A 4.4076 8.0316 124.1241 51.4838 19.2090 177.5061 35 Y 4.1992 8.5816 122.0319 60.6283 38.8098 176.3524 36 L 4.6686 7.6925 119.5609 53.8314 46.0265 174.6887 37 T 4.8817 8.4099 121.0083 61.8704 71.5925 173.2347 38 Q 4.7149 8.4782 124.9370 53.5774 33.1792 174.6056 39 L 3.8206 7.7190 125.2553 55.1244 43.2689 175.3670 40 M 5.2043 9.0439 125.6231 53.4593 35.9122 174.3383 41 I 4.2441 8.3983 121.5618 59.0228 41.3033 174.2164 42 I 4.1440 8.3545 132.8118 62.7133 37.4959 174.6966 43 K 3.9090 9.0762 129.8968 54.9753 32.0163 174.1428 44 N 4.6079 8.7802 117.3589 53.3902 38.6501 173.6032 45 S 3.6204 7.7045 105.5940 59.4204 61.5423 170.8597 46 T 4.4785 7.2145 110.8554 59.9994 71.1228 171.8821 47 Y 4.8900 8.4895 128.3006 58.4803 38.8512 175.6420 48 R 4.7294 8.9122 124.9537 54.4633 33.1475 171.2873 49 E 4.4382 8.9001 125.4424 55.9210 30.2803 175.5915 50 I 4.2879 8.5212 124.5872 61.3095 41.6768 174.5918 51 G 4.0328 9.4703 113.8713 44.6316 0.0000 172.4103 52 R 4.7529 8.4706 113.6834 54.0597 32.5423 175.1936 53 R 4.0265 8.7162 122.6435 56.2562 31.2125 175.7311 54 L 4.3663 8.2736 124.6108 52.9547 43.9943 176.0410 55 K 4.5344 7.9238 122.7983 53.7143 33.9853 176.3906 56 F 5.0643 8.1645 120.5849 55.1072 42.9153 175.6130 57 W 4.2697 9.6203 122.4139 59.7869 28.1064 176.6891 58 N 3.1400 6.6112 116.2412 56.3681 37.8157 174.0354 59 E 3.6685 7.0274 117.7160 54.5714 30.9842 176.3559 60 T 4.2640 8.6052 114.5306 62.7309 70.6683 173.7530 61 D 5.0325 7.8083 120.6010 50.7471 43.6713 174.0493 62 P 4.2738 0.0000 0.0000 63.5685 32.4519 174.8849 63 E 5.2106 8.5706 122.7045 54.6476 33.2384 174.8488 64 F 5.2775 9.7818 121.8227 55.9486 44.0928 174.0713 65 V 4.9777 8.6834 117.7632 60.9084 35.0157 173.1788 66 I 4.8158 9.0711 125.3479 59.7237 39.3539 174.2717 67 D 4.8972 8.5714 125.8231 53.7301 43.5506 175.0173 68 H 4.3333 8.5778 119.3320 55.8525 25.2497 172.9746 69 M 4.2737 8.8580 122.5904 54.6556 32.9624 175.7300 70 D 4.7469 8.2425 121.0919 51.0610 43.3808 175.8715 71 A 3.9326 8.7151 121.0378 55.5948 18.2516 179.4256 72 N 4.2209 8.2803 111.2472 56.4539 38.5573 176.0480 73 K 4.2690 7.8556 114.1077 56.4166 32.5721 176.5231 74 A 4.2727 8.4563 123.7365 50.7397 20.0351 178.4405 75 G 2.0139 7.2097 109.1327 44.3939 0.0000 171.9016 76 R 4.7984 7.6688 120.0228 55.9610 31.8439 175.4874 77 Y 5.1123 9.5960 120.8168 56.6038 42.2829 174.4670 78 Q 5.0485 9.1198 119.6501 55.0588 34.4089 172.7010 79 C 4.8917 9.1950 118.1475 55.3507 41.5025 172.8737 80 Q 4.2708 8.5890 125.3639 54.6386 30.7486 173.6865 81 Y 4.6407 8.8477 125.7400 56.4175 40.1625 175.6876 82 R 3.7969 8.6311 125.7711 54.6709 30.5920 176.8328 83 I 4.5815 7.7059 118.3487 59.6100 38.3777 177.4227 84 G 3.9218 7.9028 104.8885 47.8755 0.0000 173.3709 85 H 3.9518 8.8809 113.5305 56.9993 26.2174 175.1534 86 Y 3.5611 7.9969 112.5741 58.6377 35.7585 169.5481 87 R 4.8052 8.1542 118.0593 55.0815 31.1048 175.7672 88 F 5.5392 9.1777 122.4251 55.9458 42.1547 174.8366 89 R 4.7810 8.3481 114.7986 55.4261 32.7704 173.6187 90 Y 6.0381 8.8125 117.4083 55.5925 41.7118 175.6633 91 S 4.7163 8.7063 116.0315 57.5661 65.8782 172.5879 92 D 4.7929 9.2936 120.5991 53.8384 41.0923 174.9567 93 T 5.1280 8.3753 114.6756 62.2864 70.1729 174.4537 94 L 4.9241 9.2359 126.9719 53.2908 45.5353 174.7836 95 E 5.2446 8.8372 123.5199 54.5463 32.6232 175.2375 96 L 4.8320 8.8895 123.2266 52.9213 45.5342 175.9074 97 V 4.4926 8.2339 115.8992 59.3623 35.0882 174.6393 98 V 4.6314 7.9197 123.6615 61.5265 33.6855 174.8067 99 T 4.9421 9.1322 117.7734 60.3195 72.0114 174.6425 100 G 2.6278 8.6606 109.8997 45.4678 0.0000 174.4524 101 L 4.2229 7.4367 120.2421 54.4260 43.1955 175.9865 102 Y 5.2408 7.4665 114.8567 55.3615 41.6814 174.7834 103 G 4.2800 9.1664 112.8292 46.0163 0.0000 174.6496 104 K 4.6487 8.7740 124.6820 53.8146 33.4904 172.1456 105 P 5.1675 0.0000 0.0000 61.6763 29.9442 179.3229 *106 F 4.5013 7.9595 125.1740 57.7696 42.5265 171.9310 107 L 4.9212 8.5882 123.0855 54.8206 44.0276 176.3279 108 S 4.6997 8.0995 116.1564 58.1541 67.0598 172.5378 109 A 4.3391 7.7449 122.3342 52.8108 21.9301 176.5839 110 D 4.6480 8.3933 117.1214 52.0117 39.5339 175.2083 111 R 3.6217 7.6940 132.1171 56.2510 30.3338 176.4395 *123 L 4.5302 7.6197 123.0209 56.1451 44.2184 178.6424 124 T 5.0245 8.8976 114.4917 60.0881 72.4680 172.5110 125 C 5.9039 8.7798 125.6326 54.4145 45.0953 173.4701 126 S 5.1636 8.5116 124.6139 57.7366 67.0606 171.5568 127 S 4.9091 8.8252 117.9133 56.8214 65.1386 174.9243 128 A 4.5102 8.5286 133.9581 52.2048 19.1822 177.2815 *129 H 4.2825 7.8628 126.4346 57.0438 33.3383 177.7065 130 I 3.9658 7.6393 121.4030 57.8823 35.5846 177.5397 131 P 4.5666 0.0000 0.0000 60.9480 29.1632 177.0351 132 F 3.4742 7.1326 117.0830 57.5068 40.0251 175.6763 133 D 4.4016 8.3748 125.7115 57.1219 40.9934 176.2434 134 R 4.3662 7.1443 113.3137 53.0560 34.5635 174.2577 135 F 5.3463 7.8514 116.3902 56.1868 43.6823 174.3971 136 S 5.7627 8.2515 115.8094 55.7258 66.7799 172.6135 137 L 5.1671 8.7950 125.9792 53.4457 43.4353 175.1445 138 A 4.9312 9.4873 128.3039 50.0921 22.7590 175.2317 139 K 4.1222 8.3831 123.3650 54.7233 34.0083 175.5054 140 E 3.9340 8.0087 125.6156 58.4633 29.7953 172.8594 141 G 4.1380 9.2979 113.0039 46.1062 0.0000 175.1388 142 E 4.0485 7.4971 114.5446 56.3086 29.9900 178.9967 143 L 4.8050 8.2389 122.8331 53.2812 42.5186 176.3518 144 S 4.6221 7.8199 110.7887 56.3117 65.4420 173.1812 145 L 3.9645 8.5762 125.4876 54.5112 41.9380 175.6409 146 P 4.2810 0.0000 0.0000 64.2997 32.2292 178.1096 147 Q 4.4415 8.6471 126.6481 53.8836 27.1678 175.4667 *148 H 4.8247 7.3881 116.6745 54.7712 31.3714 174.5701 149 Q 5.6787 8.5948 124.9971 53.3717 31.0376 175.6201 150 S 4.4813 8.4048 120.5370 57.2201 66.2831 171.7581 151 G 3.5727 8.7307 110.2838 48.0273 0.0000 174.7017 152 E 3.8616 7.9680 118.5465 56.0722 30.3839 179.2791 *153 H 3.9267 8.9932 121.1473 56.1878 27.9812 171.2064 154 P 4.4374 0.0000 0.0000 62.1503 31.4470 175.3480 155 A 4.8941 8.1224 128.5858 51.0084 20.9719 176.4431 156 N 4.8741 8.7277 121.7517 51.8392 41.2875 174.9018 *157 F 4.5659 9.1962 128.9346 54.8928 36.6793 171.5626 158 S 3.9691 8.3903 119.9430 58.8935 62.3172 175.5284 159 L 4.6679 8.2707 126.9512 50.9894 42.6845 173.6738 160 G 3.9740 8.5622 114.3106 43.7462 0.0000 169.1014 161 P 4.0880 0.0000 0.0000 63.5049 31.6776 178.0324 162 V 3.8040 8.2678 124.9884 62.3118 32.6060 173.5894 163 D 4.7257 8.9832 115.2441 56.1573 37.9515 171.1102 164 L 4.1177 7.5951 120.5816 56.9019 40.5605 182.7965 165 N 5.1259 8.4401 117.3396 52.5632 40.5420 178.8852 166 V 4.2551 7.7269 115.5023 61.6399 31.3404 181.3016 167 S 4.4741 8.2625 116.5428 57.8716 63.9498 173.2672 168 G 4.3231 8.4232 110.2163 42.8618 0.0000 171.7362 169 I 4.7243 8.0459 120.7604 60.6217 39.2858 173.9810 170 Y 5.0519 10.4652 126.4803 56.4361 41.5693 174.8699 171 R 5.0186 9.2173 120.3090 54.6937 35.1959 173.3076 172 C 5.5193 8.4527 119.7669 55.1562 45.5446 172.0781 173 Y 4.7616 8.5881 120.4426 56.9491 41.8947 177.6620 174 G 2.0662 9.1526 106.8356 46.9798 0.0000 174.3396 175 W 3.6010 9.9761 135.0000 57.9043 31.0061 171.3133 176 Y 5.1190 8.5817 122.4598 56.0433 40.6543 176.5786 177 N 4.8728 10.4090 125.1593 57.3085 38.9933 177.5872 178 R 4.1958 8.3337 115.6063 58.4593 30.3472 180.1298 179 S 4.9034 7.8157 114.6156 55.7614 62.4433 172.7761 180 P 3.1462 0.0000 0.0000 65.2502 31.9333 177.1138 181 Y 4.4752 7.6415 113.0905 57.8036 39.1838 174.9133 182 L 4.8454 7.9699 120.6852 52.9716 43.3622 176.0264 183 W 5.2960 9.2042 124.7133 54.9376 32.7333 176.6886 184 S 5.1093 8.6966 116.4899 57.8746 64.9867 173.2358 185 F 4.8742 8.8970 117.9548 57.0003 39.9399 173.7067 186 P 3.7031 0.0000 0.0000 63.4244 31.9586 177.6252 187 S 4.5354 7.9789 124.3659 58.0118 64.2172 173.3763 188 N 4.3519 8.6895 114.8763 55.4748 37.9185 170.7278 189 A 4.6424 8.5167 123.1537 50.6888 19.5083 176.7630 190 L 4.5675 8.9733 124.0256 53.6013 43.6961 175.5067 191 E 4.7513 8.9372 128.1375 55.6950 30.9162 175.7351 192 L 5.0186 10.0017 131.2153 53.7353 45.7766 175.3097 193 V 4.0840 8.0183 114.0055 61.9617 32.7483 176.1992 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 E 8.43 4.16 0.00 2.01 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 2.13 1.89 0.00 3 G 8.38 3.71 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 0.00 0.00 0.00 4 D 8.49 4.38 0.00 2.71 2.39 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 *5 F 7.95 4.90 0.00 2.22 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 0.00 0.00 0.00 6 P 0.00 4.43 0.00 2.03 2.04 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 7 M 8.35 4.61 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 8 P 0.00 4.81 0.00 1.86 1.64 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 9 F 8.76 5.40 0.00 3.21 3.24 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 10 I 8.57 5.39 1.91 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 1.06 1.84 1.14 0.00 0.00 11 S 8.70 4.68 0.00 4.00 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 12 A 8.21 4.98 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 13 K 9.08 4.18 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.70 7.81 14 S 7.80 4.55 0.00 3.97 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 15 S 8.22 4.24 0.00 3.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.32 0.00 2.04 2.20 0.00 3.66 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 1.98 1.98 0.00 17 V 7.28 4.23 1.75 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 0.40 0.00 0.00 0.86 0.00 0.00 18 I 8.09 4.41 1.75 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 1.13 0.46 0.88 0.00 0.00 19 P 0.00 4.63 0.00 2.11 2.06 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 20 L 8.21 3.04 0.00 1.69 1.48 0.82 1.03 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 21 D 7.64 5.09 0.00 2.82 2.62 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 22 G 8.07 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 0.00 0.00 0.00 0.00 23 S 8.15 5.06 0.00 3.96 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 24 V 8.47 4.59 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 0.70 0.00 0.00 0.83 0.00 0.00 25 K 8.51 4.97 0.00 1.83 1.68 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.30 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.57 7.81 26 I 8.61 5.05 1.87 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.69 0.92 0.00 0.00 27 Q 8.92 5.18 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 28 C 9.29 4.95 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.71 3.52 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 30 A 9.04 4.14 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 31 I 8.29 4.31 2.00 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 0.60 0.11 0.82 0.00 0.00 32 R 8.68 3.90 0.00 1.82 1.89 0.00 3.25 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 33 E 8.05 4.15 0.00 2.00 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 2.32 2.29 0.00 34 A 8.03 4.41 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 35 Y 8.58 4.20 0.00 2.89 2.95 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 36 L 7.69 4.67 0.00 1.68 1.36 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.41 4.88 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 38 Q 8.48 4.71 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 39 L 7.72 3.82 0.00 0.27 1.28 0.64 0.77 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 40 M 9.04 5.20 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 41 I 8.40 4.24 1.12 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.34 0.81 0.00 0.00 42 I 8.35 4.14 1.76 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 1.00 0.43 0.74 0.00 0.00 43 K 9.08 3.91 0.00 1.75 1.43 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.30 1.22 7.81 44 N 8.78 4.61 0.00 2.62 2.74 0.00 0.00 6.83 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 45 S 7.70 3.62 0.00 3.95 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 46 T 7.21 4.48 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 1.16 0.00 0.00 47 Y 8.49 4.89 0.00 2.97 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 48 R 8.91 4.73 0.00 1.44 1.75 0.00 3.27 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 49 E 8.90 4.44 0.00 1.99 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 2.29 2.30 0.00 50 I 8.52 4.29 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 1.06 0.00 0.00 51 G 9.47 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 0.00 0.00 0.00 52 R 8.47 4.75 0.00 1.84 1.99 0.00 2.77 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 53 R 8.72 4.03 0.00 1.65 1.72 0.00 2.55 0.00 0.00 2.54 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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 71 A 8.72 3.93 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 72 N 8.28 4.22 0.00 2.85 2.90 0.00 0.00 6.89 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 73 K 7.86 4.27 0.00 1.88 1.93 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.39 7.81 74 A 8.46 4.27 1.22 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 0.00 0.00 0.00 75 G 7.21 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 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.67 4.80 0.00 1.73 1.83 0.00 3.13 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 77 Y 9.60 5.11 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.12 5.05 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 131 P 0.00 4.57 0.00 2.01 2.00 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 132 F 7.13 3.47 0.00 2.87 2.97 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 0.00 133 D 8.37 4.40 0.00 2.55 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.14 4.37 0.00 0.67 1.03 0.00 2.81 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.00 135 F 7.85 5.35 0.00 2.80 2.57 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 0.00 136 S 8.25 5.76 0.00 3.05 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 0.00 137 L 8.79 5.17 0.00 1.66 1.66 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 A 9.49 4.93 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 0.00 139 K 8.38 4.12 0.00 1.13 1.45 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.08 0.48 7.81 140 E 8.01 3.93 0.00 1.77 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 141 G 9.30 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 0.00 0.00 0.00 142 E 7.50 4.05 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 143 L 8.24 4.80 0.00 1.60 1.82 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.82 4.62 0.00 3.79 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 0.00 145 L 8.58 3.96 0.00 1.77 1.80 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.28 0.00 2.32 2.39 0.00 4.18 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 147 Q 8.65 4.44 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.07 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 *148 H 7.39 4.82 0.00 2.54 2.93 0.00 7.10 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 0.00 149 Q 8.59 5.68 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 150 S 8.40 4.48 0.00 3.37 3.67 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 0.00 0.00 0.00 0.00 151 G 8.73 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 0.00 152 E 7.97 3.86 0.00 2.00 1.78 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 2.23 1.89 0.00 *153 H 8.99 3.93 0.00 2.92 3.05 0.00 7.17 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.44 0.00 2.03 2.04 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 155 A 8.12 4.89 1.54 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 0.00 156 N 8.73 4.87 0.00 2.46 2.54 0.00 0.00 6.55 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 *157 F 9.20 4.57 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.39 3.97 0.00 3.62 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 0.00 159 L 8.27 4.67 0.00 1.61 1.46 0.92 0.83 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 0.00 160 G 8.56 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 0.00 161 P 0.00 4.09 0.00 2.05 2.07 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 162 V 8.27 3.80 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 0.74 0.00 0.00 0.93 0.00 0.00 163 D 8.98 4.73 0.00 2.85 2.67 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 0.00 0.00 0.00 0.00 164 L 7.60 4.12 0.00 1.70 1.40 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.44 5.13 0.00 2.68 2.66 0.00 0.00 6.51 7.67 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 0.00 166 V 7.73 4.26 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 0.93 0.00 0.00 0.93 0.00 0.00 167 S 8.26 4.47 0.00 4.01 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 0.00 168 G 8.42 4.32 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 0.00 169 I 8.05 4.72 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 1.40 1.42 0.91 0.00 0.00 170 Y 10.47 5.05 0.00 2.92 2.87 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 0.00 171 R 9.22 5.02 0.00 1.82 1.63 0.00 3.14 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 172 C 8.45 5.52 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 8.59 4.76 0.00 2.50 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 0.00 174 G 9.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 W 9.98 3.60 0.00 3.01 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 Y 8.58 5.12 0.00 3.19 2.86 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 0.00 177 N 10.41 4.87 0.00 2.83 3.05 0.00 0.00 6.92 7.86 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 0.00 178 R 8.33 4.20 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 179 S 7.82 4.90 0.00 4.08 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 0.00 180 P 0.00 3.15 0.00 1.30 1.84 0.00 3.55 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 1.91 2.39 0.00 181 Y 7.64 4.48 0.00 2.92 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 0.00 182 L 7.97 4.85 0.00 1.73 1.48 0.91 0.59 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 0.00 183 W 9.20 5.30 0.00 3.32 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 0.00 184 S 8.70 5.11 0.00 4.40 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 0.00 185 F 8.90 4.87 0.00 3.32 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 0.00 186 P 0.00 3.70 0.00 1.92 1.86 0.00 3.93 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 187 S 7.98 4.54 0.00 3.41 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 0.00 188 N 8.69 4.35 0.00 2.50 2.67 0.00 0.00 6.47 7.46 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 0.00 189 A 8.52 4.64 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 0.00 190 L 8.97 4.57 0.00 1.61 1.61 0.88 0.66 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 0.00 191 E 8.94 4.75 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 192 L 10.00 5.02 0.00 1.17 1.47 0.92 0.75 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 0.00 193 V 8.02 4.08 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 0.90 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.