NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 R 4.2487 8.2501 119.0665 55.8903 30.9126 176.6722 25 A 3.9748 8.8398 116.2657 51.9339 19.7770 177.5388 26 A 3.8966 9.2577 127.1463 53.7421 19.7400 176.0144 27 F 4.9535 7.4822 114.1801 56.1533 41.2938 173.9495 28 H 4.6310 8.2903 119.6472 54.7749 30.6238 173.1940 29 G 3.8750 8.4759 109.2167 44.2406 0.0000 172.9723 30 E 3.8585 8.6203 119.8255 56.6311 29.7783 176.3788 31 V 4.3707 8.3161 124.2666 61.2039 33.8365 174.7672 32 V 4.4950 8.1048 119.5200 58.9716 34.8247 175.3170 33 R 4.0221 8.3981 122.6670 55.5445 30.2021 174.8503 34 P 4.4809 0.0000 0.0000 61.8683 32.5432 175.4248 35 A 4.1501 7.9491 120.4028 51.5997 19.2161 178.1159 36 C 4.8219 9.2119 117.4248 57.3282 42.5884 173.2574 37 T 4.6875 8.7139 117.0931 60.2922 69.2450 172.9353 38 L 4.9127 8.5765 130.5350 54.4327 43.3595 175.4258 39 A 4.8840 8.9019 126.6485 50.6258 22.7551 174.5970 40 M 5.0408 8.5450 120.7611 54.1625 36.2655 176.1381 41 E 4.0751 9.0394 115.9456 59.0086 30.1368 177.1313 42 D 4.7118 7.9830 119.5217 52.9428 42.0003 176.8847 43 A 3.9411 8.7791 129.0725 54.3655 18.5163 177.8686 44 W 4.3522 9.2266 114.4158 55.9309 29.6512 176.0884 45 Q 3.4880 8.0152 116.9305 57.3801 26.2724 173.5782 46 I 4.5042 7.7258 115.6296 59.4279 40.2605 175.5952 47 I 4.3326 7.9054 123.7824 59.2593 38.9423 174.9630 48 D 4.4355 8.6533 125.8293 54.3258 41.4301 175.7139 49 M 4.1979 8.6835 125.7399 55.1783 32.8446 177.4029 50 G 4.0253 8.0172 106.2280 45.3177 0.0000 173.7672 51 E 4.0521 8.4360 114.6405 55.7883 30.0993 177.3732 52 T 4.1073 8.4909 116.7584 63.9106 69.3326 174.7986 53 P 4.6549 0.0000 0.0000 61.8973 28.1178 177.0806 54 V 3.6336 7.7730 123.6127 67.6029 32.0547 177.3667 55 R 3.9195 8.0234 119.4846 61.7780 29.2383 180.0277 56 D 4.6647 8.0912 119.1875 57.1354 40.9208 178.6738 57 L 4.1149 8.3042 119.7173 58.2154 41.4953 179.5635 58 Q 4.1400 8.2803 117.0561 59.1051 28.7795 178.4055 59 N 4.3757 7.6675 114.5397 53.9860 38.5571 175.9889 60 G 3.8715 8.3556 109.6937 45.1392 0.0000 173.9081 61 F 5.2648 7.3104 119.2269 56.2681 41.0613 174.7435 62 S 4.9040 8.4875 115.4644 56.9005 66.0827 173.9725 63 G 4.0497 8.7457 109.0447 45.2117 0.0000 171.5287 64 P 4.6219 0.0000 0.0000 62.8005 31.9457 176.0523 65 E 4.5389 8.6455 120.6820 56.3642 30.8217 176.3471 66 R 4.6629 8.9329 124.1984 54.9980 33.3451 175.8094 67 K 4.9255 8.8335 127.7507 54.8791 33.4688 172.9678 68 F 4.8895 8.5504 116.7531 56.0245 41.3050 172.9322 69 S 4.9877 8.8698 118.6220 56.5576 64.2685 173.0857 70 L 4.7263 8.8007 126.8808 53.0348 44.0997 175.2806 71 R 4.3958 8.6720 125.8600 55.1157 31.6170 175.0043 72 L 4.9620 7.6291 125.7772 53.5427 42.7878 176.0346 73 R 4.5620 8.6075 122.8313 54.7302 33.8146 176.6783 74 N 4.4172 9.0745 115.9065 54.4123 37.6024 172.8777 75 C 5.0294 8.0724 109.0060 54.8891 42.5678 173.6954 76 E 3.7530 8.4767 117.0459 57.2489 26.8558 174.8457 77 F 4.3666 8.3648 122.3821 61.1543 39.9465 174.3391 78 N 5.0679 7.8905 115.3051 51.7608 39.5170 174.2503 79 S 4.7540 8.8693 118.8183 56.4582 65.9992 175.1073 80 Q 4.0210 8.5592 117.7971 58.0744 27.5664 176.6513 81 G 4.2282 7.5329 106.1373 44.3457 0.0000 173.1665 82 G 3.9516 7.3049 108.1905 44.8863 0.0000 172.6281 83 N 5.0093 7.4273 115.6393 50.2214 41.5089 174.9301 84 L 3.8270 7.8632 122.4960 58.2881 41.7573 179.9974 85 F 4.1494 7.7514 119.4822 61.5975 39.3910 177.2546 86 S 4.0063 8.0884 114.2240 61.3864 62.4611 175.4155 87 D 4.5803 7.8628 118.5347 53.6843 40.7711 176.4576 88 S 3.6994 7.4684 114.4736 59.7612 60.8116 172.8047 89 R 4.3800 8.2294 122.0649 57.7415 31.0546 176.6689 90 I 4.9270 7.5712 110.3916 58.9132 41.0954 175.0485 91 R 4.6763 8.7163 122.1222 54.5866 33.5367 174.9181 92 V 4.6214 8.4541 116.0660 60.0907 34.7351 174.8930 93 T 4.8696 7.9328 119.0182 62.1399 73.4709 172.7889 94 F 4.8932 9.0116 124.0749 56.4376 40.5513 174.3167 95 D 5.1874 9.5323 125.4676 52.7387 43.0474 176.9548 96 G 4.2805 8.1212 108.5654 46.0000 0.0000 171.3797 97 V 4.2058 7.7610 119.0513 61.2455 33.0703 176.3773 98 R 4.0884 8.6289 128.6263 55.5472 30.6099 175.3795 99 G 4.2589 8.7816 118.0016 46.3322 0.0000 174.9975 100 E 4.1601 9.1806 125.1875 58.2849 29.9068 176.1387 101 T 4.8352 7.4039 107.1458 58.4537 71.6587 172.7878 102 P 4.1430 0.0000 0.0000 65.5805 31.1354 176.6871 103 D 4.7723 7.4808 116.8238 54.1275 40.9796 175.8748 104 K 5.0459 8.1115 118.8362 54.6812 36.6937 175.0487 105 F 5.1445 9.2739 121.2684 55.5738 41.6604 175.0386 106 N 4.8570 9.5766 122.7114 53.7034 39.5770 174.0072 107 L 4.9479 8.4096 122.7349 53.1996 45.0985 176.0425 108 S 4.6380 9.1537 118.1629 57.2584 66.0124 172.5353 109 G 3.7798 8.8756 108.5154 44.8790 0.0000 174.5065 110 Q 4.2374 8.5303 118.3825 58.7241 28.1769 173.5102 111 A 4.4588 8.3111 122.6202 52.9659 19.2135 177.4440 112 K 4.5148 8.6934 121.8023 54.3701 36.7645 178.1276 113 G 4.3219 9.1327 107.7663 46.9144 0.0000 172.8048 114 I 4.9617 7.3395 111.2608 58.9691 40.6848 174.0209 115 N 5.1351 9.3302 120.9194 51.4876 43.1238 172.6331 116 L 5.0110 8.9211 121.3797 53.5470 45.5105 174.8120 117 Q 4.9867 8.7006 123.6848 54.4951 32.9691 173.6799 118 I 5.1413 8.4461 124.8822 59.4961 41.1760 174.1416 119 A 5.3562 9.0903 127.4724 50.2858 23.0834 176.0570 120 D 5.0551 8.9409 120.7673 52.3435 41.2257 177.5076 121 V 3.7840 8.0786 110.7365 63.1891 31.2554 176.9907 122 R 4.4828 8.9917 118.1355 55.6571 30.9577 176.5673 123 G 3.9783 8.3122 107.1227 44.7677 0.0000 173.8286 124 N 4.5166 8.2331 118.3176 53.4981 39.6069 173.9699 125 I 4.7266 8.4064 125.0639 60.1266 38.2774 175.6950 126 A 4.3859 9.3974 130.3960 52.0353 19.1288 176.8707 127 R 4.4718 8.6697 120.2155 53.6007 32.7201 175.3232 128 A 4.2161 7.9449 124.8829 54.0860 18.3524 177.7679 129 G 3.9784 9.2255 111.1188 45.5700 0.0000 173.0411 130 K 4.5780 8.1112 119.8931 53.8245 33.8063 176.6412 131 V 4.1707 8.2511 123.3716 61.8569 31.8158 175.7506 132 M 4.6608 8.8947 123.8891 54.3069 32.8121 174.5810 133 P 4.5233 0.0000 0.0000 62.4806 32.4214 176.0425 134 A 3.4897 8.4074 126.2186 51.9294 18.9750 176.7889 135 I 4.6992 7.6382 114.6734 58.3447 40.7088 173.0826 136 P 4.5234 0.0000 0.0000 62.2995 31.8890 176.0006 137 L 4.6244 8.2623 120.3425 53.8231 43.3046 175.9907 138 T 4.5438 8.3708 109.9503 61.2575 70.7101 174.6472 139 G 3.8003 8.7686 114.5191 45.1929 0.0000 174.1502 140 N 4.2418 8.1799 116.3220 53.5071 35.2151 180.0539 141 E 4.3686 7.5998 112.9422 56.6632 30.9207 179.6531 142 E 4.6945 8.5186 120.5071 56.2220 29.9220 175.3587 143 A 4.8114 7.5349 117.4876 50.1367 23.2910 176.4145 144 L 4.3190 8.6411 119.9421 53.0794 43.8404 175.3338 145 D 4.9560 8.0705 123.8823 52.6810 42.7742 175.3913 146 Y 4.7861 7.8378 119.7560 56.2964 42.6780 174.5367 147 T 5.2159 8.8718 116.7041 61.8594 72.6625 173.4285 148 L 5.9160 8.8880 125.6575 53.5694 44.4760 175.3345 149 R 4.9269 8.0356 113.5833 55.3616 32.5854 173.8253 150 I 4.5066 8.2465 121.6121 61.2264 39.0064 175.2446 151 V 4.9518 8.5581 118.1479 59.4863 36.4876 175.0210 152 R 4.7470 8.7870 120.2927 55.4873 31.0022 176.4747 153 N 4.7693 8.5895 116.2561 52.0178 39.0963 175.5414 154 G 4.0412 8.6411 107.9228 47.5006 0.0000 173.8866 155 K 4.6532 7.7949 121.4430 52.0903 35.4408 180.2339 156 K 4.2325 8.4124 121.5802 56.1497 32.0833 177.3539 157 L 4.2563 8.5392 125.8084 54.2730 42.5326 177.0968 158 E 4.5655 9.1221 122.6301 54.0626 32.2393 174.6904 159 A 4.3012 8.7006 126.0523 51.7686 19.2253 176.1432 160 G 4.3352 8.6128 107.3954 43.7168 0.0000 172.7632 161 N 4.5486 8.2065 119.0758 53.3483 39.6645 173.7500 162 Y 5.3810 7.8791 121.7334 56.1933 41.7472 174.7319 *163 F 5.0149 9.6109 119.4127 56.3961 43.2284 174.0522 164 A 4.6280 8.2532 117.0448 52.0338 21.9607 176.0136 165 V 4.2341 8.6360 122.7926 60.9989 33.1146 174.5358 166 L 4.9798 8.4468 126.8770 52.9158 44.4661 176.0122 167 G 4.0236 9.1327 110.5188 45.1292 0.0000 172.3934 168 F 4.7565 8.8657 127.6890 56.5784 40.6914 174.2881 169 R 4.3218 8.6027 128.3059 54.6713 31.7309 174.9549 170 V 4.4046 8.2481 126.6178 61.3769 33.0011 174.2246 171 D 4.8652 8.9257 129.5182 53.3350 42.4492 175.3428 172 Y 4.5684 8.6967 121.4578 56.6785 39.4675 175.5278 173 E 4.2650 8.9485 122.9931 56.6649 29.2692 176.7191 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 24 R 8.25 4.25 0.00 1.85 1.64 0.00 3.23 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 25 A 8.84 3.97 1.28 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 26 A 9.26 3.90 0.62 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 27 F 7.48 4.95 0.00 3.03 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 28 H 8.29 4.63 0.00 3.24 3.29 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.48 3.88 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 0.00 0.00 0.00 30 E 8.62 3.86 0.00 1.94 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 2.31 2.33 0.00 31 V 8.32 4.37 2.13 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 0.92 0.00 0.00 1.08 0.00 0.00 32 V 8.10 4.50 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 0.78 0.00 0.00 0.92 0.00 0.00 33 R 8.40 4.02 0.00 1.79 1.87 0.00 3.32 0.00 0.00 3.50 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 34 P 0.00 4.48 0.00 2.21 2.03 0.00 3.84 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 2.31 1.91 0.00 35 A 7.95 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.21 4.82 0.00 3.05 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 37 T 8.71 4.69 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 1.25 0.00 0.00 38 L 8.58 4.91 0.00 1.77 1.58 0.88 0.96 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 39 A 8.90 4.88 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 40 M 8.55 5.04 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 41 E 9.04 4.08 0.00 1.98 1.87 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 2.23 1.88 0.00 42 D 7.98 4.71 0.00 2.73 2.63 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 0.00 0.00 0.00 0.00 43 A 8.78 3.94 1.10 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 44 W 9.23 4.35 0.00 3.68 3.11 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 45 Q 8.02 3.49 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 46 I 7.73 4.50 1.93 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 1.41 0.91 0.85 0.00 0.00 47 I 7.91 4.33 1.67 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.35 0.91 0.00 0.00 48 D 8.65 4.44 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.68 4.20 0.00 2.28 2.26 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 2.76 2.53 0.00 50 G 8.02 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 51 E 8.44 4.05 0.00 2.00 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 2.24 1.92 0.00 52 T 8.49 4.11 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 1.26 0.00 0.00 53 P 0.00 4.65 0.00 2.30 2.27 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 54 V 7.77 3.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 55 R 8.02 3.92 0.00 1.85 1.93 0.00 3.31 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 56 D 8.09 4.66 0.00 2.88 3.02 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 0.00 0.00 0.00 57 L 8.30 4.11 0.00 1.88 1.71 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.28 4.14 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 59 N 7.67 4.38 0.00 2.59 2.25 0.00 0.00 7.26 6.93 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 60 G 8.36 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 0.00 0.00 0.00 61 F 7.31 5.26 0.00 3.23 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 62 S 8.49 4.90 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.75 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.62 0.00 2.10 2.09 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 65 E 8.65 4.54 0.00 1.88 1.92 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 2.31 2.33 0.00 66 R 8.93 4.66 0.00 1.76 1.86 0.00 3.31 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 67 K 8.83 4.93 0.00 1.54 1.58 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.00 7.81 68 F 8.55 4.89 0.00 3.08 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 69 S 8.87 4.99 0.00 3.86 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 70 L 8.80 4.73 0.00 1.39 1.33 0.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.67 4.40 0.00 1.84 1.73 0.00 3.03 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 72 L 7.63 4.96 0.00 0.99 1.51 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.61 4.56 0.00 1.74 1.82 0.00 3.22 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 74 N 9.07 4.42 0.00 2.87 2.95 0.00 0.00 6.75 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.07 5.03 0.00 3.28 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 76 E 8.48 3.75 0.00 2.14 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 2.27 2.31 0.00 77 F 8.36 4.37 0.00 3.07 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 7.89 5.07 0.00 2.86 2.74 0.00 0.00 6.86 7.45 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 79 S 8.87 4.75 0.00 3.88 3.93 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 80 Q 8.56 4.02 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.55 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 81 G 7.53 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 0.00 0.00 0.00 0.00 82 G 7.30 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 83 N 7.43 5.01 0.00 1.73 2.66 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.86 3.83 0.00 1.73 1.83 1.22 0.95 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 85 F 7.75 4.15 0.00 3.43 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 86 S 8.09 4.01 0.00 3.91 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 87 D 7.86 4.58 0.00 2.56 2.63 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 0.00 0.00 0.00 0.00 88 S 7.47 3.70 0.00 3.96 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 89 R 8.23 4.38 0.00 1.87 1.97 0.00 3.00 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 90 I 7.57 4.93 1.50 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.53 0.00 0.00 91 R 8.72 4.68 0.00 1.66 1.78 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 92 V 8.45 4.62 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 0.82 0.00 0.00 1.15 0.00 0.00 93 T 7.93 4.87 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 1.26 0.00 0.00 94 F 9.01 4.89 0.00 3.24 2.96 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 95 D 9.53 5.19 0.00 2.61 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 96 G 8.12 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 97 V 7.76 4.21 2.13 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 0.95 0.00 0.00 0.97 0.00 0.00 98 R 8.63 4.09 0.00 1.99 1.74 0.00 3.39 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.00 99 G 8.78 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 0.00 0.00 0.00 0.00 100 E 9.18 4.16 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 101 T 7.40 4.84 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 1.20 0.00 0.00 102 P 0.00 4.14 0.00 2.16 2.20 0.00 3.73 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 1.97 1.98 0.00 103 D 7.48 4.77 0.00 2.82 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 0.00 104 K 8.11 5.05 0.00 1.63 1.66 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 105 F 9.27 5.14 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 0.00 106 N 9.58 4.86 0.00 2.83 2.75 0.00 0.00 6.99 5.12 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 0.00 107 L 8.41 4.95 0.00 1.48 1.53 0.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 108 S 9.15 4.64 0.00 3.89 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 0.00 109 G 8.88 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 0.00 110 Q 8.53 4.24 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 111 A 8.31 4.46 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.69 4.51 0.00 1.41 1.60 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.24 7.81 113 G 9.13 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 0.00 114 I 7.34 4.96 1.68 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.84 0.00 0.00 115 N 9.33 5.14 0.00 2.63 2.74 0.00 0.00 6.41 6.71 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 0.00 116 L 8.92 5.01 0.00 1.66 1.53 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.70 4.99 0.00 2.18 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.61 0.00 118 I 8.45 5.14 1.47 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.42 0.33 0.00 0.00 119 A 9.09 5.36 1.21 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 0.00 0.00 120 D 8.94 5.06 0.00 2.91 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 0.00 121 V 8.08 3.78 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 0.59 0.00 0.00 0.87 0.00 0.00 122 R 8.99 4.48 0.00 1.75 1.91 0.00 3.17 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 123 G 8.31 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.23 4.52 0.00 3.20 2.87 0.00 0.00 7.09 7.35 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 0.00 125 I 8.41 4.73 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 1.42 0.80 1.06 0.00 0.00 126 A 9.40 4.39 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 0.00 127 R 8.67 4.47 0.00 1.87 1.77 0.00 3.19 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 128 A 7.94 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.23 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.11 4.58 0.00 1.92 1.79 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.40 7.81 131 V 8.25 4.17 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 1.04 0.00 0.00 0.99 0.00 0.00 132 M 8.89 4.66 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.85 0.00 133 P 0.00 4.52 0.00 2.12 2.10 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 134 A 8.41 3.49 1.01 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 0.00 135 I 7.64 4.70 1.95 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 1.86 0.87 1.04 0.00 0.00 136 P 0.00 4.52 0.00 2.22 2.10 0.00 3.39 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 137 L 8.26 4.62 0.00 1.72 1.68 1.18 0.87 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 0.00 138 T 8.37 4.54 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 139 G 8.77 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 0.00 140 N 8.18 4.24 0.00 2.88 2.74 0.00 0.00 6.65 7.66 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 0.00 141 E 7.60 4.37 0.00 2.01 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 0.00 2.26 2.11 0.00 142 E 8.52 4.69 0.00 2.08 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 2.47 2.73 0.00 143 A 7.53 4.81 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 0.00 144 L 8.64 4.32 0.00 1.47 1.33 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.07 4.96 0.00 2.26 2.33 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 0.00 146 Y 7.84 4.79 0.00 1.66 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 0.00 147 T 8.87 5.22 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 1.22 0.00 0.00 148 L 8.89 5.92 0.00 1.83 1.83 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.04 4.93 0.00 2.04 2.03 0.00 2.96 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 150 I 8.25 4.51 1.83 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 1.34 0.81 0.74 0.00 0.00 151 V 8.56 4.95 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 0.72 0.00 0.00 0.93 0.00 0.00 152 R 8.79 4.75 0.00 1.70 1.85 0.00 3.19 0.00 0.00 3.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 153 N 8.59 4.77 0.00 2.70 3.07 0.00 0.00 5.99 6.94 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 0.00 154 G 8.64 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.79 4.65 0.00 1.74 1.55 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.95 7.81 156 K 8.41 4.23 0.00 1.53 1.64 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.05 7.81 157 L 8.54 4.26 0.00 1.50 1.64 0.96 0.87 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 0.00 158 E 9.12 4.57 0.00 1.89 1.83 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 2.22 2.47 0.00 159 A 8.70 4.30 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 0.00 160 G 8.61 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 0.00 0.00 0.00 0.00 161 N 8.21 4.55 0.00 2.61 2.63 0.00 0.00 6.35 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 7.88 5.38 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 *163 F 9.61 5.01 0.00 1.89 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 0.00 0.00 0.00 0.00 164 A 8.25 4.63 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 0.00 165 V 8.64 4.23 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 0.90 0.00 0.00 0.95 0.00 0.00 166 L 8.45 4.98 0.00 1.55 1.63 0.42 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 167 G 9.13 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 168 F 8.87 4.76 0.00 2.80 2.94 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 0.00 169 R 8.60 4.32 0.00 1.92 1.62 0.00 3.25 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 170 V 8.25 4.40 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 0.36 0.00 0.00 0.82 0.00 0.00 171 D 8.93 4.87 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.70 4.57 0.00 2.85 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 0.00 173 E 8.95 4.26 0.00 2.00 1.87 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 2.40 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.