NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3004 0.0000 0.0000 62.6722 33.3642 174.3549 3 E 4.9919 8.4051 119.7341 53.6729 32.9437 169.1726 4 V 4.8112 8.7787 124.4734 61.2838 36.0458 173.9010 5 R 5.1399 8.6522 120.5806 54.7760 32.4674 174.0579 6 A 4.8593 8.9498 123.8647 50.1177 22.6075 174.5742 7 E 5.0442 8.4551 119.4271 54.6062 33.0949 174.7456 8 R 4.6937 8.9794 125.9100 55.2614 33.9369 172.7115 9 Y 4.9974 8.7618 127.2750 56.7533 40.6694 173.7605 10 I 4.5036 8.2816 127.6940 58.4210 40.2703 174.1969 11 P 4.5420 0.0000 0.0000 61.1252 28.4497 175.0240 12 A 4.5075 7.4282 125.8541 51.1333 22.7784 174.2996 13 P 4.4024 0.0000 0.0000 62.2394 32.2716 175.4806 14 P 4.5361 0.0000 0.0000 65.4894 31.2383 178.3868 15 E 4.0155 8.1578 117.2456 59.0884 29.5808 178.7580 16 R 3.8521 8.1902 119.1160 59.3069 30.3099 178.5737 17 V 3.6234 7.7477 117.6221 66.0681 31.4594 177.1147 18 Y 2.6388 8.2731 119.5764 60.4645 38.3841 178.4404 19 R 3.5237 7.8915 118.8985 59.0264 29.8947 179.0695 20 L 3.8528 7.6786 117.7587 57.3074 41.6442 178.9225 21 A 4.0580 7.4720 119.7960 54.3216 18.4508 179.1383 22 K 2.4800 6.7259 117.5554 57.7139 33.3156 177.6266 23 D 4.3917 7.1017 119.9406 52.6049 38.6196 176.1244 24 L 3.8912 7.7000 124.0467 57.4601 41.8813 178.5286 25 E 4.0001 7.9630 117.2561 59.1034 29.5557 179.1232 26 G 3.8121 8.0282 106.3259 46.6416 0.0000 175.1815 27 L 4.2290 7.7270 122.5984 57.4847 42.1103 178.4743 28 K 3.7702 7.8482 119.9499 59.1840 31.8354 176.8127 29 P 4.2245 0.0000 0.0000 64.6820 31.0344 176.4087 30 Y 4.3569 8.1373 114.2381 57.6434 38.5374 175.2125 31 L 4.7132 7.7514 122.2043 53.0863 40.8488 177.2862 32 K 4.1264 8.5001 123.6905 58.5589 32.6968 178.2091 33 E 4.3812 8.2347 116.7591 56.3127 30.0892 175.2951 34 V 4.6964 7.5385 119.9751 61.3671 32.8152 174.7760 35 E 4.4483 9.0873 129.1024 58.1071 30.7220 176.6657 36 S 4.5583 7.6338 112.9571 56.6340 66.7023 173.1561 37 L 4.6689 8.2644 124.9675 53.3681 44.4476 174.6698 38 E 4.6822 8.5310 125.3685 54.1021 32.1997 175.4124 39 V 4.1227 8.7788 125.4462 63.1525 31.2393 175.8829 40 V 4.1756 8.9228 122.5123 62.8949 32.8303 176.7249 41 A 4.7643 7.7814 120.7146 50.2904 22.7942 175.0786 42 R 4.9201 8.5154 120.8927 54.6117 33.1854 174.6465 43 E 4.6767 9.7198 125.5746 56.6108 35.0545 175.4864 44 G 3.8628 8.3564 112.8650 46.9842 0.0000 173.4724 45 A 4.7314 8.7937 127.9991 51.3388 19.2680 176.5634 46 R 5.4862 8.6687 114.7542 55.0822 32.9333 174.8266 47 T 5.3179 8.9719 110.3801 60.0145 72.9562 172.2871 48 R 5.3530 9.1445 121.9945 54.6540 33.3679 174.2419 49 S 5.1330 9.5599 119.5905 56.7594 67.4091 172.6152 50 R 4.9341 9.0978 122.6203 54.7230 31.8496 174.5998 51 W 4.8194 8.7618 127.1897 54.7885 31.6420 175.4443 52 V 4.8626 8.8139 123.4196 61.1218 33.8474 174.1842 53 A 5.3990 9.4140 129.4185 50.2709 22.6916 174.8381 54 V 4.7485 8.7933 112.7971 58.8452 33.9122 176.5208 55 A 4.6649 8.0865 129.0723 51.4135 19.0910 176.6913 *57 G 3.9381 7.9862 110.5922 44.9785 0.0000 172.8171 58 K 4.7045 7.6891 120.2121 54.5270 34.7617 175.3857 59 K 4.8127 8.4865 123.8968 55.7053 34.7755 175.6767 60 V 4.6521 9.0240 122.1696 61.2794 34.4104 174.3555 61 R 5.4243 9.6743 126.8870 54.2974 33.5203 174.6526 62 W 5.5695 8.8438 119.1382 55.4296 32.1315 173.4040 63 L 5.1324 9.0696 121.0193 53.5711 43.7095 175.3953 64 E 5.0915 9.5841 122.7909 54.7119 33.4386 173.7477 65 E 5.3493 9.7832 126.8873 54.6755 32.0579 174.5769 66 E 5.0952 9.0217 122.8465 54.3974 32.6959 174.3427 67 E 4.8921 9.5263 125.5369 54.3484 31.7631 174.2152 68 W 5.0529 9.5591 128.4115 55.4439 31.1032 176.0805 69 D 4.8197 9.6430 126.1815 52.5599 40.1193 176.2776 70 D 4.5410 8.7060 123.7008 56.4930 41.5106 178.0290 71 E 4.0380 8.4686 117.3203 59.4428 29.4192 177.7025 72 N 4.6897 8.1759 111.9985 52.0543 39.2470 174.9584 73 L 2.4400 7.3258 117.2363 55.7165 39.8501 173.6510 74 R 5.4264 7.5832 114.8245 54.8504 35.2987 175.0073 75 N 5.5105 9.6611 118.2477 52.2115 43.0605 173.1631 76 R 5.1329 9.0941 122.3229 54.3902 34.1083 174.6171 77 F 5.5132 8.5984 116.7102 55.7347 42.1156 173.2397 78 F 5.1377 9.4738 121.1309 57.2785 43.3026 172.6422 79 S 5.4571 8.3336 121.0325 55.7013 62.5144 172.2099 80 P 4.8762 0.0000 0.0000 64.4908 32.1714 175.5731 81 E 4.7580 7.6641 115.3477 55.4449 32.3084 174.8267 82 G 3.9957 8.3322 106.1326 45.1930 0.0000 173.0878 83 D 4.4580 8.5066 120.6129 56.5517 41.2830 176.9226 84 F 4.5300 7.8750 117.0427 56.9706 39.3245 176.0887 85 D 4.6107 9.0644 122.9038 57.0471 41.6069 177.0887 86 R 4.3976 7.8836 118.0250 54.9668 34.0646 173.7726 87 Y 4.6411 8.0361 127.6670 57.0268 40.8578 172.7222 88 E 4.3620 8.0428 124.1720 54.7350 33.6497 175.6626 89 G 3.9762 6.1059 105.3677 46.0361 0.0000 171.2987 90 T 5.3361 7.5527 108.7114 60.0457 72.7848 172.8485 91 W 5.2474 9.1289 123.6207 55.3166 31.4448 175.5135 92 V 5.0197 8.6653 117.4318 59.5556 35.3922 174.9237 93 F 4.9871 9.0196 122.3065 56.0369 41.2848 174.4667 94 L 4.9887 8.8441 124.7268 51.9342 44.4801 174.4949 95 P 4.7791 0.0000 0.0000 63.0214 32.0268 176.4190 96 E 4.5071 9.0998 125.1876 54.3149 30.4402 176.4484 97 G 3.9104 8.3101 112.7628 44.6104 0.0000 172.8602 98 E 4.4937 8.9457 122.6489 56.9344 29.0610 176.0365 99 G 4.6203 8.2985 107.4955 43.3864 0.0000 171.5623 100 T 5.1319 8.3444 115.6280 61.6822 72.0903 173.7312 101 R 4.6917 9.3414 128.0716 55.2974 31.2153 174.9895 102 V 4.3192 8.9509 128.3440 61.7392 33.3358 174.6760 103 V 4.6230 8.5135 127.9273 60.8902 34.2266 173.6692 104 L 4.7955 8.8309 130.3345 53.4697 44.4963 174.8835 105 T 4.8894 8.5977 123.1209 61.5670 71.7313 173.0560 106 L 4.7964 9.0083 127.9294 53.6785 45.3343 174.9251 107 T 4.9144 8.9417 124.6139 62.2524 70.4298 173.7508 108 Y 5.0342 8.1679 123.6492 55.3795 42.2549 174.1460 109 E 4.8277 9.4246 119.7667 54.7231 33.9748 174.1769 110 L 5.0293 8.7873 126.3739 53.2698 44.4212 175.7416 111 T 4.1870 8.2376 117.6589 61.0593 69.4361 174.2421 112 I 4.4341 8.1453 126.9348 58.3093 39.4673 173.6660 113 P 4.1947 0.0000 0.0000 64.2247 31.7624 176.6347 114 I 3.4595 8.7455 128.2193 62.1450 35.8742 174.9997 115 F 4.7214 8.3093 116.0668 57.1757 38.9875 177.8249 116 G 3.8610 8.2712 106.6910 47.3788 0.0000 175.3313 117 G 3.8929 7.9015 105.9864 46.6448 0.0000 175.6166 118 L 4.2625 7.9794 120.0093 56.6448 41.8832 177.7608 119 L 4.7296 7.6408 117.0290 54.4804 42.4334 178.2701 120 R 3.9265 8.0502 122.1023 59.3990 29.8021 178.2539 121 K 4.0467 7.9711 118.9562 58.8690 32.3012 178.3895 122 L 3.9099 7.8485 120.2278 58.1765 41.9162 178.6331 123 V 3.5730 7.6848 116.8467 66.2148 31.4209 177.2795 124 Q 4.5925 7.6424 118.6145 58.6242 29.1346 178.0611 125 K 4.1263 8.2251 120.4790 59.3464 32.1951 179.2841 126 L 4.0540 8.0104 118.3666 55.5075 42.1852 179.2016 *128 Q 4.2146 8.0837 119.7927 56.1367 30.8747 177.6571 129 E 3.9798 8.5182 117.6773 59.3432 29.3866 179.0520 130 N 4.9449 8.1867 117.9086 56.1434 38.5499 177.9341 131 V 3.6094 7.6450 113.0606 64.0873 31.7119 178.3187 132 E 3.9550 8.1967 118.9045 59.4057 29.1995 179.5092 133 S 4.2641 8.4966 114.6149 61.2723 63.0981 176.4638 134 L 4.1651 8.2257 122.6523 57.5780 41.3322 179.2801 135 L 4.2321 7.6494 118.9608 57.1804 41.7988 179.1621 136 K 4.1685 8.3079 119.9435 59.2876 32.1886 179.2152 137 G 3.8617 8.5478 107.9336 47.0272 0.0000 175.5433 138 L 4.0855 7.9102 122.6512 57.8739 42.1082 178.6124 139 E 3.9586 8.2917 118.7270 59.7560 29.5874 179.2120 140 E 4.0856 7.9695 117.1887 58.4240 29.5407 179.3648 141 R 2.6856 7.2906 118.9129 58.9999 29.9416 178.6163 142 V 3.5693 7.4697 116.7716 65.6519 31.8981 177.4593 143 L 4.0335 7.8919 120.0224 57.9198 41.9265 178.7195 144 A 3.9070 7.6428 121.0336 55.3457 18.3553 179.2138 145 A 4.2516 8.0917 116.1941 54.0093 18.4472 178.3290 146 S 4.4053 7.5985 110.5734 58.8676 63.4761 174.3841 147 S 4.3325 7.5132 119.1709 58.2918 62.0443 173.3839 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 P 0.00 4.30 0.00 1.99 2.09 0.00 3.32 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 0.85 1.71 0.00 3 E 8.41 4.99 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 4 V 8.78 4.81 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 0.89 0.00 0.00 1.02 0.00 0.00 5 R 8.65 5.14 0.00 1.67 1.75 0.00 3.07 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 6 A 8.95 4.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.46 5.04 0.00 1.89 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 0.00 2.19 2.27 0.00 8 R 8.98 4.69 0.00 1.88 1.69 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 9 Y 8.76 5.00 0.00 3.18 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 10 I 8.28 4.50 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 1.24 0.64 0.84 0.00 0.00 11 P 0.00 4.54 0.00 2.09 2.20 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 12 A 7.43 4.51 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 13 P 0.00 4.40 0.00 2.24 2.21 0.00 3.74 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 2.07 2.00 0.00 14 P 0.00 4.54 0.00 2.22 2.30 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 15 E 8.16 4.02 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 16 R 8.19 3.85 0.00 1.90 2.06 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 17 V 7.75 3.62 2.30 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 1.31 0.00 0.00 1.05 0.00 0.00 18 Y 8.27 2.64 0.00 2.33 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 19 R 7.89 3.52 0.00 1.92 1.81 0.00 3.09 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 20 L 7.68 3.85 0.00 1.56 1.64 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.47 4.06 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 22 K 6.73 2.48 0.00 0.79 1.10 0.00 0.97 0.00 0.00 1.00 0.00 0.00 2.53 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.30 0.21 7.81 23 D 7.10 4.39 0.00 2.60 2.36 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 24 L 7.70 3.89 0.00 1.62 1.53 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.96 4.00 0.00 1.84 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 2.17 2.27 0.00 26 G 8.03 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 0.00 0.00 0.00 27 L 7.73 4.23 0.00 1.93 1.76 0.96 0.56 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 28 K 7.85 3.77 0.00 1.84 1.69 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.21 7.81 29 P 0.00 4.22 0.00 1.64 1.88 0.00 3.97 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 30 Y 8.14 4.36 0.00 3.26 3.09 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 31 L 7.75 4.71 0.00 1.85 1.78 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.50 4.13 0.00 1.79 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 33 E 8.23 4.38 0.00 2.16 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 2.41 2.37 0.00 34 V 7.54 4.70 2.25 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 0.65 0.00 0.00 1.22 0.00 0.00 35 E 9.09 4.45 0.00 2.01 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 2.25 2.23 0.00 36 S 7.63 4.56 0.00 3.77 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 37 L 8.26 4.67 0.00 1.03 1.09 -0.18 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.53 4.68 0.00 1.98 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 2.03 2.11 0.00 39 V 8.78 4.12 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 0.77 0.00 0.00 0.89 0.00 0.00 40 V 8.92 4.18 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 0.69 0.00 0.00 1.01 0.00 0.00 41 A 7.78 4.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.52 4.92 0.00 1.77 1.78 0.00 3.25 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 43 E 9.72 4.68 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 44 G 8.36 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 45 A 8.79 4.73 1.51 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 0.00 0.00 0.00 46 R 8.67 5.49 0.00 1.90 2.13 0.00 2.76 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 47 T 8.97 5.32 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 48 R 9.14 5.35 0.00 1.91 1.83 0.00 3.10 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 49 S 9.56 5.13 0.00 3.82 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 50 R 9.10 4.93 0.00 1.82 1.76 0.00 3.24 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 51 W 8.76 4.82 0.00 1.78 1.79 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 52 V 8.81 4.86 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 1.13 0.00 0.00 0.89 0.00 0.00 53 A 9.41 5.40 1.65 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 0.00 0.00 54 V 8.79 4.75 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 0.73 0.00 0.00 1.04 0.00 0.00 55 A 8.09 4.66 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 *57 G 7.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.69 4.70 0.00 1.87 1.65 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.47 7.81 59 K 8.49 4.81 0.00 1.91 1.81 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.44 7.81 60 V 9.02 4.65 2.25 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 0.83 0.00 0.00 0.87 0.00 0.00 61 R 9.67 5.42 0.00 1.79 1.81 0.00 3.20 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 62 W 8.84 5.57 0.00 3.52 3.26 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 63 L 9.07 5.13 0.00 1.74 1.72 1.05 1.13 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 64 E 9.58 5.09 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 65 E 9.78 5.35 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 66 E 9.02 5.10 0.00 1.24 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 2.33 2.57 0.00 67 E 9.53 4.89 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 68 W 9.56 5.05 0.00 3.39 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 69 D 9.64 4.82 0.00 2.77 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 70 D 8.71 4.54 0.00 2.76 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 71 E 8.47 4.04 0.00 2.12 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 2.32 2.30 0.00 72 N 8.18 4.69 0.00 2.72 2.83 0.00 0.00 7.22 7.87 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 73 L 7.33 2.44 0.00 1.82 1.55 0.89 0.12 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 74 R 7.58 5.43 0.00 1.87 1.96 0.00 3.15 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 75 N 9.66 5.51 0.00 2.16 2.64 0.00 0.00 7.33 8.47 0.00 0.00 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 9.09 5.13 0.00 1.72 1.74 0.00 3.12 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 77 F 8.60 5.51 0.00 3.22 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.47 5.14 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.33 5.46 0.00 4.02 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 80 P 0.00 4.88 0.00 2.36 2.40 0.00 3.84 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 81 E 7.66 4.76 0.00 2.21 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 0.00 2.38 2.38 0.00 82 G 8.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.46 0.00 2.52 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 84 F 7.87 4.53 0.00 2.79 3.07 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 85 D 9.06 4.61 0.00 2.69 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 86 R 7.88 4.40 0.00 1.77 1.71 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 87 Y 8.04 4.64 0.00 2.42 2.31 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 88 E 8.04 4.36 0.00 1.97 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 89 G 6.11 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 90 T 7.55 5.34 4.41 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 1.18 0.00 0.00 91 W 9.13 5.25 0.00 3.46 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 92 V 8.67 5.02 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 0.84 0.00 0.00 0.96 0.00 0.00 93 F 9.02 4.99 0.00 3.02 3.14 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 94 L 8.84 4.99 0.00 1.70 1.60 0.95 1.06 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 95 P 0.00 4.78 0.00 2.12 2.11 0.00 3.77 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 2.03 2.00 0.00 96 E 9.10 4.51 0.00 2.01 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 0.00 2.26 2.28 0.00 97 G 8.31 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.95 4.49 0.00 2.03 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 2.34 2.34 0.00 99 G 8.30 4.62 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 0.00 100 T 8.34 5.13 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 101 R 9.34 4.69 0.00 2.13 1.90 0.00 3.44 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 V 8.95 4.32 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 1.01 0.00 0.00 103 V 8.51 4.62 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 0.82 0.00 0.00 0.90 0.00 0.00 104 L 8.83 4.80 0.00 1.02 1.07 -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.60 4.89 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 1.12 0.00 0.00 106 L 9.01 4.80 0.00 1.49 1.30 -0.04 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.94 4.91 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 1.03 0.00 0.00 108 Y 8.17 5.03 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.42 4.83 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 110 L 8.79 5.03 0.00 1.89 1.64 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.24 4.19 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 1.33 0.00 0.00 112 I 8.15 4.43 1.93 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 1.44 0.57 1.04 0.00 0.00 113 P 0.00 4.19 0.00 2.24 2.03 0.00 3.71 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 2.14 2.14 0.00 114 I 8.75 3.46 2.02 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 1.36 0.37 0.25 0.00 0.00 115 F 8.31 4.72 0.00 3.02 3.07 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 0.00 116 G 8.27 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 0.00 117 G 7.90 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 0.00 0.00 0.00 118 L 7.98 4.26 0.00 1.88 1.84 0.82 0.91 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 0.00 119 L 7.64 4.73 0.00 1.89 1.68 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.05 3.93 0.00 2.15 2.00 0.00 3.23 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 121 K 7.97 4.05 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 122 L 7.85 3.91 0.00 1.81 1.82 0.93 0.88 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 0.00 123 V 7.68 3.57 2.34 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 1.02 0.00 0.00 1.04 0.00 0.00 124 Q 7.64 4.59 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 125 K 8.23 4.13 0.00 1.91 1.92 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.53 7.81 126 L 8.01 4.05 0.00 1.86 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *128 Q 8.08 4.21 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 129 E 8.52 3.98 0.00 2.10 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 2.56 2.50 0.00 130 N 8.19 4.94 0.00 2.86 2.93 0.00 0.00 6.62 7.19 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 0.00 131 V 7.65 3.61 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 0.67 0.00 0.00 0.90 0.00 0.00 132 E 8.20 3.95 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 133 S 8.50 4.26 0.00 4.10 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 0.00 134 L 8.23 4.17 0.00 1.90 2.02 1.18 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.65 4.23 0.00 1.81 1.70 0.83 0.38 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 0.00 136 K 8.31 4.17 0.00 1.85 1.85 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.64 7.81 137 G 8.55 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 0.00 138 L 7.91 4.09 0.00 1.98 2.04 1.01 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.29 3.96 0.00 2.24 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 2.33 2.54 0.00 140 E 7.97 4.09 0.00 2.25 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 0.00 2.38 2.59 0.00 141 R 7.29 2.69 0.00 1.80 1.76 0.00 3.03 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.66 0.00 142 V 7.47 3.57 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 0.82 0.00 0.00 0.96 0.00 0.00 143 L 7.89 4.03 0.00 1.79 1.69 0.92 1.37 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 A 7.64 3.91 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 0.00 145 A 8.09 4.25 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 0.00 146 S 7.60 4.41 0.00 4.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.51 4.33 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.