NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8058 8.3649 120.2653 53.2368 42.3748 172.2648 6 F 4.6807 9.1191 117.8605 57.1810 40.1346 173.0815 7 E 4.9162 6.1508 129.8418 55.0648 30.1218 174.3656 8 E 4.0418 8.2700 117.8777 57.2035 30.7123 178.6652 9 K 4.5488 9.5607 126.5764 54.1952 34.4951 175.0908 10 M 4.4315 8.5703 124.3810 55.3226 32.1186 176.7018 11 I 4.2017 9.1936 124.0806 63.7848 38.4829 175.3419 12 L 4.4644 7.3504 119.5628 55.5446 43.7881 172.9483 13 I 5.7291 8.2540 117.8745 60.8095 41.3521 174.8113 14 R 4.7532 8.1254 122.3674 56.3880 31.2027 174.4355 15 R 4.5005 7.9096 120.3568 55.6500 30.7260 173.9475 16 T 3.7434 7.8398 108.6598 60.9793 68.4618 172.4671 17 A 4.4154 8.7179 131.9404 52.4191 20.0645 176.6665 18 R 4.6213 8.1672 114.0042 54.9010 33.5056 174.8713 19 M 4.5041 8.4266 119.8142 53.7192 34.2218 175.4267 20 Q 4.9602 8.2636 126.1671 55.9138 32.7408 172.1772 21 A 4.0310 8.2049 127.5388 52.9370 19.4744 176.6094 22 G 4.3477 9.0507 111.1933 44.4837 0.0000 174.2663 23 G 3.9477 7.2513 106.0916 45.7083 0.0000 170.4946 24 R 4.5270 8.3679 117.1577 54.2641 31.9418 175.7095 25 R 4.3025 8.2926 124.2141 54.9106 31.1022 176.0894 26 F 4.7116 8.6990 127.9507 59.5483 41.0088 174.4309 27 R 4.7349 7.6594 120.1956 57.5747 32.9462 173.8480 28 F 5.4544 8.4508 119.1922 55.5986 43.8418 174.1038 29 G 4.4556 9.1549 107.4244 44.4130 0.0000 171.9329 30 A 4.9355 8.4022 125.2880 49.8441 21.9981 174.8010 31 L 4.6624 8.4278 125.8908 53.9216 43.6638 175.2348 32 V 4.6711 8.4810 126.8471 60.9587 34.7060 174.3250 33 V 5.1278 8.2508 126.9673 61.2112 34.5631 174.6928 34 V 4.9015 8.0521 125.4424 59.8845 34.9477 174.2279 35 G 4.9064 8.8663 110.2271 45.0654 0.0000 172.0331 36 D 5.0810 8.4565 116.7513 52.4078 40.6378 177.4487 37 R 4.1246 8.1035 118.0962 56.8721 27.6560 177.1825 38 Q 4.3744 10.7000 117.5130 55.4145 30.1770 176.4953 39 G 4.5064 7.3673 116.6899 45.9352 0.0000 171.4669 40 R 4.7801 7.1766 120.7512 54.4850 33.2325 175.3677 41 V 4.7165 7.9002 113.8849 60.5684 36.4629 172.8673 42 G 4.4680 9.0329 109.1333 43.8267 0.0000 171.1884 43 L 5.4516 8.4727 122.5314 53.0495 44.9735 175.8008 44 G 4.4166 9.1355 111.8552 44.7428 0.0000 170.9152 45 F 5.1728 8.9033 123.9042 56.0621 41.5567 174.4975 46 G 4.3813 8.9615 114.0370 44.4999 0.0000 172.4008 47 K 5.5287 9.1589 122.1135 53.4992 35.0460 175.3575 48 A 4.8742 8.5002 125.8297 49.3039 22.7148 174.9827 49 P 4.3963 0.0000 0.0000 64.3654 32.2121 175.8860 50 E 4.2520 8.5372 119.0093 53.0137 32.4824 174.9575 51 V 3.2874 7.1023 122.0020 65.0599 31.3306 176.1479 52 P 4.1643 0.0000 0.0000 66.2609 31.0832 177.8682 53 L 3.9067 8.0086 118.3929 57.6547 41.6969 179.5439 54 A 4.1470 8.0623 120.0312 54.8134 17.7238 179.8347 55 V 3.4964 7.8805 117.3362 66.2151 31.6282 177.9484 56 Q 3.9740 8.2203 119.0293 59.3284 28.9107 178.0775 57 K 4.0556 8.1354 119.2830 59.9770 32.0563 178.3460 58 A 4.2990 8.2470 120.4247 55.4422 18.2069 179.5889 59 G 3.7308 8.0151 102.3812 48.1723 0.0000 174.5973 60 Y 4.3535 8.2241 121.0945 61.2093 38.8737 177.9651 61 Y 3.9388 8.4265 117.3484 61.1059 37.9454 177.3203 62 A 4.1183 9.0541 122.6077 55.7262 18.1271 179.4697 63 R 3.8410 8.4766 116.6652 59.3666 30.5307 178.9233 64 R 3.9596 7.3815 115.9143 57.8517 29.9107 176.0942 65 N 5.0879 8.0661 115.3361 51.6579 42.7517 172.8046 66 M 5.9074 8.2080 122.6055 53.9714 34.1217 174.9100 67 V 4.1799 7.7633 118.3442 61.9530 33.8924 174.0060 68 E 4.1326 8.6333 125.3610 56.1620 26.9952 175.2833 69 V 3.8706 7.6864 119.3949 60.6016 31.1459 175.2018 70 P 4.6311 0.0000 0.0000 61.9485 29.5433 177.2073 71 L 4.2862 7.3666 118.0107 56.3517 43.1830 178.6590 72 Q 4.5392 8.4527 119.3897 54.8008 30.0301 174.6635 73 N 4.5853 8.3316 110.2626 53.3881 37.0842 176.4118 74 G 4.4321 8.9592 108.6709 46.2831 0.0000 174.1820 75 T 4.6751 7.4106 109.5714 60.1072 71.1353 172.9633 76 I 4.8196 7.2720 113.0705 58.2094 40.0584 173.9066 77 P 4.3711 0.0000 0.0000 64.8806 31.5111 175.8289 78 H 4.5875 7.2473 111.6518 54.5531 30.3933 173.0309 79 E 4.7597 8.7343 119.5559 56.4058 30.9264 175.2468 80 I 4.7736 8.6997 114.4830 59.9432 42.0262 173.1911 81 E 5.0535 8.5751 120.4938 54.8923 32.9847 176.5399 82 V 4.2684 8.6446 123.7602 60.6003 31.6643 175.2042 83 E 4.5528 8.3069 124.4252 55.5014 27.2196 174.8457 84 F 4.4428 8.3385 122.7670 58.0998 41.1441 175.9477 85 G 3.3613 7.8573 119.4524 46.7811 0.0000 175.3283 86 A 4.3345 8.3644 129.4296 52.8069 19.8558 178.0195 87 S 4.9447 7.4097 110.5559 58.1734 64.7875 173.4954 88 K 4.7353 8.4111 121.4133 54.9230 36.0667 174.6511 89 I 4.9401 8.2326 124.6133 59.4599 41.7024 173.5592 90 V 5.0112 8.4137 128.1061 61.0847 35.0229 174.0412 91 L 4.9773 9.0243 126.0920 52.8344 45.5353 175.3734 92 K 4.8005 9.0869 125.1063 53.5363 35.0366 173.5032 93 P 4.7279 0.0000 0.0000 63.4968 31.5012 175.4162 94 A 4.9330 8.3926 122.8680 49.6906 21.9275 175.7588 95 A 4.1474 8.4439 121.9296 50.9845 19.2986 175.7081 96 P 5.3005 0.0000 0.0000 63.9975 31.7198 176.9544 97 G 4.0560 8.7471 110.1470 45.8631 0.0000 174.5948 98 T 4.0278 7.1425 115.7259 63.8159 69.4921 176.3831 99 G 4.2644 8.1220 105.0652 43.9595 0.0000 172.5574 100 V 3.8980 7.9272 112.4021 60.5976 31.9806 176.7321 101 I 4.2812 8.1776 120.7077 59.7280 37.8331 174.4940 102 A 5.3281 7.4375 130.2007 51.8477 22.1336 174.5793 103 G 3.9381 8.5472 104.1397 43.7031 0.0000 174.4993 104 A 4.0917 8.5168 118.3237 53.4364 18.2966 177.7472 105 V 4.2695 8.4814 116.5191 63.7725 33.8878 176.1827 106 P 4.1726 0.0000 0.0000 65.4239 30.8825 178.3241 107 R 3.8838 7.8970 117.9816 59.1309 30.1668 177.8089 108 A 3.9793 8.0398 118.2191 54.5404 18.5565 178.0693 109 I 4.1674 7.1643 116.4870 63.1948 38.5357 177.7689 110 L 4.0176 7.7292 119.0762 58.7459 41.4074 178.7003 111 E 4.0468 8.6689 118.7894 59.3995 29.2110 178.4124 112 L 4.2668 7.6837 113.8730 56.0563 41.8095 178.2670 113 A 4.4820 7.7905 121.4100 51.7259 20.1521 178.2371 114 G 3.9558 8.5708 104.5928 44.8745 0.0000 173.0365 115 V 4.6801 7.6303 118.7604 61.0036 33.5377 173.9042 116 T 4.3295 8.5028 115.1997 62.8017 70.4434 173.1982 117 D 4.9239 7.7403 126.9312 52.4069 41.8187 174.7901 118 I 4.6831 8.3164 122.5904 59.9760 42.4123 172.8734 119 L 5.2119 8.7187 126.2328 53.1126 44.5026 175.9368 120 T 5.1773 8.1916 112.6547 59.0013 72.8709 173.1905 121 K 4.4503 8.0942 119.6044 55.8865 35.2423 173.6970 122 E 4.5503 8.9795 128.5238 55.9631 29.8591 175.9880 123 L 4.4767 8.1988 129.1568 55.0133 44.0848 176.2167 124 G 3.5752 8.6589 110.1542 47.2703 0.0000 172.8645 125 S 4.3149 7.8544 119.0101 58.8227 62.9542 174.7868 126 R 4.5901 8.1610 119.4257 55.1492 31.2731 175.7557 127 N 4.3299 7.9678 117.7586 53.3264 39.5685 172.9145 128 P 4.1866 0.0000 0.0000 66.2654 31.6787 178.2138 129 I 3.5585 7.8728 117.4400 64.7922 37.0544 177.6247 130 N 4.6827 7.9051 116.0094 55.7572 38.8629 177.4850 131 I 3.8685 8.0907 121.0880 64.6463 37.0117 176.9691 132 A 4.0599 8.5478 122.4029 54.9591 18.0615 178.5125 133 Y 3.9860 7.7597 114.3418 60.1050 38.0276 179.3907 134 A 4.0484 7.6062 121.1674 55.6340 18.9213 179.5288 135 T 4.0106 8.3708 114.6776 67.0248 68.5176 176.5544 136 M 3.9521 8.2961 120.8279 58.7987 31.8579 178.3633 137 E 3.9821 7.9908 118.3835 58.5780 30.1075 178.8253 138 A 4.1279 7.9354 121.0778 55.4266 18.4748 179.4786 139 L 3.9286 7.8100 116.8368 57.8709 41.6701 179.3094 140 R 4.0274 7.7278 115.6345 57.9776 30.0252 176.3965 141 Q 4.5743 7.5202 114.3589 56.0742 30.0539 174.9363 142 L 4.4596 8.7868 120.6921 54.2181 42.1264 176.5178 143 R 4.6626 8.9116 122.9580 54.6095 32.3205 175.8449 144 T 4.5058 8.0682 111.6283 59.6729 70.5386 175.6558 145 K 3.6695 8.7113 123.6716 59.7140 31.9941 178.3341 146 A 4.1011 7.7835 120.8819 54.6510 18.8067 177.9402 147 D 4.4810 8.8450 115.7924 57.4743 40.9945 178.6533 148 V 3.6640 7.6916 119.8366 64.2281 31.6192 176.5371 149 E 3.9782 7.4603 119.8571 57.8992 30.3156 178.6575 150 R 4.0872 8.5610 121.7897 59.3778 30.3618 177.5078 151 L 4.6829 7.7839 114.9480 55.1371 41.4082 176.9729 152 R 4.6549 7.8035 115.2231 55.7681 30.8295 175.7004 153 K 4.3112 7.4476 114.9295 57.5991 35.4387 177.2771 154 G 3.8009 7.8692 114.4499 46.6851 0.0000 173.6340 *155 E 4.1319 7.8238 117.4240 56.2780 30.4399 177.4900 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 5 D 8.36 4.81 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.12 4.68 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 6.15 4.92 0.00 2.23 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 2.30 0.00 8 E 8.27 4.04 0.00 2.06 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 2.32 2.35 0.00 9 K 9.56 4.55 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.37 7.81 10 M 8.57 4.43 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 11 I 9.19 4.20 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.97 0.00 0.00 12 L 7.35 4.46 0.00 1.64 1.75 0.90 0.60 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 13 I 8.25 5.73 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 1.03 1.02 1.14 0.00 0.00 14 R 8.13 4.75 0.00 1.95 2.09 0.00 3.01 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 15 R 7.91 4.50 0.00 1.55 1.79 0.00 2.48 0.00 0.00 3.04 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.65 0.00 16 T 7.84 3.74 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 1.26 0.00 0.00 17 A 8.72 4.42 0.94 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 18 R 8.17 4.62 0.00 1.78 1.93 0.00 2.74 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 19 M 8.43 4.50 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 20 Q 8.26 4.96 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 21 A 8.20 4.03 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 22 G 9.05 4.35 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 0.00 23 G 7.25 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 24 R 8.37 4.53 0.00 1.38 1.66 0.00 2.99 0.00 0.00 2.76 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.00 25 R 8.29 4.30 0.00 1.93 1.83 0.00 3.15 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 26 F 8.70 4.71 0.00 2.91 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 27 R 7.66 4.73 0.00 2.02 1.85 0.00 3.19 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 28 F 8.45 5.45 0.00 3.00 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 29 G 9.15 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.40 4.94 1.19 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 0.00 0.00 31 L 8.43 4.66 0.00 1.47 1.46 0.93 0.59 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 32 V 8.48 4.67 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 0.92 0.00 0.00 0.98 0.00 0.00 33 V 8.25 5.13 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 0.84 0.00 0.00 0.94 0.00 0.00 34 V 8.05 4.90 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 0.93 0.00 0.00 1.08 0.00 0.00 35 G 8.87 4.91 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 36 D 8.46 5.08 0.00 2.92 3.29 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 37 R 8.10 4.12 0.00 2.11 2.15 0.00 3.13 0.00 0.00 3.35 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 38 Q 10.70 4.37 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.29 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 39 G 7.37 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 0.00 0.00 0.00 0.00 40 R 7.18 4.78 0.00 2.04 1.58 0.00 3.20 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 1.50 1.55 0.00 41 V 7.90 4.72 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 0.66 0.00 0.00 0.87 0.00 0.00 42 G 9.03 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.47 5.45 0.00 1.61 1.51 1.03 1.16 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 44 G 9.14 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.90 5.17 0.00 3.15 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 46 G 8.96 4.38 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 0.00 47 K 9.16 5.53 0.00 1.73 1.89 0.00 1.79 0.00 0.00 0.95 0.00 0.00 2.32 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.84 1.59 7.81 48 A 8.50 4.87 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 49 P 0.00 4.40 0.00 2.12 2.26 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 50 E 8.54 4.25 0.00 1.88 1.62 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 2.09 2.09 0.00 51 V 7.10 3.29 1.84 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 1.02 0.00 0.00 0.32 0.00 0.00 52 P 0.00 4.16 0.00 2.25 2.26 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 53 L 8.01 3.91 0.00 1.86 1.80 0.91 0.80 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 54 A 8.06 4.15 1.53 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 55 V 7.88 3.50 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 0.98 0.00 0.00 0.95 0.00 0.00 56 Q 8.22 3.97 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 57 K 8.14 4.06 0.00 2.23 2.35 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.29 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.83 7.81 58 A 8.25 4.30 1.53 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 59 G 8.02 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.22 4.35 0.00 2.91 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 61 Y 8.43 3.94 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.05 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.48 3.84 0.00 1.86 2.18 0.00 3.34 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 64 R 7.38 3.96 0.00 1.79 2.17 0.00 3.12 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 65 N 8.07 5.09 0.00 2.76 2.57 0.00 0.00 6.59 6.96 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 66 M 8.21 5.91 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 67 V 7.76 4.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.90 0.00 0.00 68 E 8.63 4.13 0.00 1.94 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 2.28 2.29 0.00 69 V 7.69 3.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 70 P 0.00 4.63 0.00 2.19 2.07 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 71 L 7.37 4.29 0.00 1.63 1.64 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.45 4.54 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.28 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 73 N 8.33 4.59 0.00 2.76 3.25 0.00 0.00 7.41 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 74 G 8.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.41 4.68 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 76 I 7.27 4.82 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.88 0.00 0.00 77 P 0.00 4.37 0.00 2.20 2.16 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 78 H 7.25 4.59 0.00 3.17 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.73 4.76 0.00 1.99 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 2.27 2.38 0.00 80 I 8.70 4.77 1.88 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 1.27 1.10 0.93 0.00 0.00 81 E 8.58 5.05 0.00 1.82 1.85 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 2.21 2.29 0.00 82 V 8.64 4.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 83 E 8.31 4.55 0.00 2.02 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 2.33 2.28 0.00 84 F 8.34 4.44 0.00 3.16 3.04 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 85 G 7.86 3.36 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 0.00 86 A 8.36 4.33 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 87 S 7.41 4.94 0.00 3.95 3.83 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 88 K 8.41 4.74 0.00 1.79 1.56 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 89 I 8.23 4.94 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 1.25 1.14 0.97 0.00 0.00 90 V 8.41 5.01 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 1.02 0.00 0.00 0.94 0.00 0.00 91 L 9.02 4.98 0.00 1.55 1.52 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.09 4.80 0.00 1.78 1.63 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.36 7.81 93 P 0.00 4.73 0.00 2.11 2.19 0.00 3.77 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 2.00 2.00 0.00 94 A 8.39 4.93 1.20 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 95 A 8.44 4.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 5.30 0.00 2.05 2.02 0.00 3.70 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 97 G 8.75 4.06 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 0.00 0.00 0.00 98 T 7.14 4.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 G 8.12 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 V 7.93 3.90 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 0.81 0.00 0.00 0.97 0.00 0.00 101 I 8.18 4.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.91 0.00 0.00 102 A 7.44 5.33 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 0.00 103 G 8.55 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 0.00 104 A 8.52 4.09 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 0.00 105 V 8.48 4.27 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 1.02 0.00 0.00 0.93 0.00 0.00 106 P 0.00 4.17 0.00 2.31 2.31 0.00 3.83 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 2.23 2.17 0.00 107 R 7.90 3.88 0.00 1.90 2.19 0.00 3.21 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 108 A 8.04 3.98 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 0.00 109 I 7.16 4.17 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.90 0.00 0.00 110 L 7.73 4.02 0.00 1.71 1.74 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.67 4.05 0.00 2.02 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 2.43 2.51 0.00 112 L 7.68 4.27 0.00 1.69 1.75 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.79 4.48 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 3.96 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 0.00 0.00 0.00 115 V 7.63 4.68 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 0.87 0.00 0.00 0.96 0.00 0.00 116 T 8.50 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 D 7.74 4.92 0.00 2.68 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 0.00 118 I 8.32 4.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 119 L 8.72 5.21 0.00 1.67 1.53 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.19 5.18 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 1.25 0.00 0.00 121 K 8.09 4.45 0.00 1.86 1.67 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.49 7.81 122 E 8.98 4.55 0.00 1.90 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 2.31 2.35 0.00 123 L 8.20 4.48 0.00 1.55 1.53 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.31 0.00 3.78 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 0.00 126 R 8.16 4.59 0.00 1.79 1.86 0.00 3.58 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 127 N 7.97 4.33 0.00 2.76 2.71 0.00 0.00 7.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.19 0.00 2.20 2.11 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 129 I 7.87 3.56 1.83 0.00 0.00 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 1.80 0.90 0.74 0.00 0.00 130 N 7.91 4.68 0.00 2.90 2.97 0.00 0.00 7.15 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 0.00 131 I 8.09 3.87 1.89 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 1.66 0.95 0.94 0.00 0.00 132 A 8.55 4.06 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 0.00 133 Y 7.76 3.99 0.00 1.68 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 0.00 0.00 0.00 134 A 7.61 4.05 1.52 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 0.00 0.00 135 T 8.37 4.01 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 1.22 0.00 0.00 136 M 8.30 3.95 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 137 E 7.99 3.98 0.00 1.88 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 2.37 2.41 0.00 138 A 7.94 4.13 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 0.00 139 L 7.81 3.93 0.00 1.78 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.73 4.03 0.00 1.89 2.09 0.00 3.43 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 141 Q 7.52 4.57 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 142 L 8.79 4.46 0.00 1.69 1.57 0.94 0.75 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 0.00 143 R 8.91 4.66 0.00 1.87 1.87 0.00 3.37 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 144 T 8.07 4.51 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 1.24 0.00 0.00 145 K 8.71 3.67 0.00 1.81 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.79 1.47 7.81 146 A 7.78 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.84 4.48 0.00 2.92 2.80 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 0.00 148 V 7.69 3.66 2.23 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 1.02 0.00 0.00 0.98 0.00 0.00 149 E 7.46 3.98 0.00 2.11 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 0.00 2.62 2.27 0.00 150 R 8.56 4.09 0.00 1.94 2.16 0.00 3.08 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 151 L 7.78 4.68 0.00 1.68 1.66 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.80 4.65 0.00 1.70 1.86 0.00 3.12 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 1.55 1.73 0.00 153 K 7.45 4.31 0.00 1.86 1.66 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.60 7.81 154 G 7.87 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 *155 E 7.82 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.