NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 I 4.5643 8.0093 121.4052 61.5923 38.6203 174.4166 20 T 4.5715 8.6896 117.5766 58.9945 71.8437 171.7880 21 L 5.3556 8.3334 124.9248 54.0188 45.4558 176.3269 22 T 4.8919 8.8169 116.0717 60.2971 72.6582 171.9916 23 Y 5.3617 8.2652 120.5339 56.2089 42.6460 173.0886 24 K 4.5311 8.2083 127.1582 54.0495 34.8774 174.8375 25 E 4.0760 8.8702 129.1091 56.7804 30.2219 177.2986 26 G 4.1255 8.5873 114.9758 45.5086 0.0000 173.2980 27 A 4.2893 8.5340 123.2417 51.1095 19.1553 176.0408 28 P 4.2648 0.0000 0.0000 63.1345 31.9378 176.0546 29 I 4.1274 7.9274 122.2545 59.9688 38.2392 175.6453 30 T 4.0584 8.2223 122.7315 62.8133 68.6622 174.4773 31 I 3.8781 8.1071 128.3721 61.1945 37.8182 176.2189 32 M 4.3642 8.6514 125.7389 54.3218 32.7818 176.9900 33 D 4.4779 8.4869 119.4330 57.2818 41.3836 176.8065 34 N 4.4109 8.0177 114.3977 53.6564 37.7397 175.8152 35 G 3.8037 8.7513 108.9777 45.4196 0.0000 172.7767 36 N 4.8858 8.2949 119.1630 51.7585 40.8743 173.1226 37 I 4.7186 7.5349 111.8534 58.2987 40.4652 174.7726 38 D 4.4182 8.2377 120.8479 54.2071 41.7052 176.1127 39 T 4.2204 8.0818 114.0332 62.2827 69.7073 174.4286 40 E 3.8081 8.8539 120.1589 56.7933 28.0239 174.9860 41 L 4.0317 7.5557 120.2056 54.6887 42.8905 176.6194 42 L 4.5789 8.4380 125.4935 54.7371 41.1046 176.3298 43 V 3.6884 9.2219 127.6745 65.0450 32.8590 175.5248 44 G 4.2253 7.2067 104.8661 46.5637 0.0000 171.8008 45 T 5.0441 7.6046 116.0171 61.5851 71.9188 173.8137 46 L 4.8720 8.8750 127.5018 54.5392 43.5400 176.1019 47 T 4.9147 8.8734 120.7013 61.8080 70.8250 173.0679 48 L 5.1089 9.3497 130.4809 54.3631 43.8450 175.7932 49 G 4.1935 8.9803 112.1306 45.3565 0.0000 173.2659 50 G 4.0732 8.4617 106.2731 45.5776 0.0000 173.4327 51 Y 4.6016 6.5113 117.0090 55.3127 39.6539 175.1401 52 K 4.1556 9.5811 122.2411 56.1452 32.8809 176.4502 53 T 4.0939 8.4416 121.1167 65.7826 68.6057 174.5639 54 G 4.0221 9.2448 114.8002 45.0987 0.0000 173.7125 55 T 3.8076 7.6993 116.9322 64.4656 69.1865 173.3559 56 T 4.9749 8.0933 115.2116 59.4663 71.1907 175.5779 57 S 4.2142 8.8949 118.1489 61.5242 62.9384 176.7507 58 T 3.9559 7.3685 109.8503 63.8690 68.9627 175.5775 59 S 4.2647 8.1666 117.5161 59.2222 63.4599 173.1314 60 V 4.3961 7.3298 122.3021 60.8884 33.5965 173.8597 61 N 5.1565 8.4357 126.1577 51.7076 41.6764 172.9271 62 F 5.0951 9.0047 127.1335 57.1759 40.2996 175.2437 63 T 5.3296 9.2710 114.1667 60.0293 72.2469 172.4023 64 D 5.1207 8.6998 120.8948 51.7509 42.6378 175.3008 65 A 4.0338 8.6849 120.8017 55.1300 17.3097 178.7694 66 A 3.9591 8.1396 118.6443 53.6441 18.4999 178.8443 67 G 3.7999 8.2316 101.4254 46.2679 0.0000 172.9455 68 D 4.4327 7.4813 118.3569 52.8346 41.3420 174.0916 69 P 4.5334 0.0000 0.0000 64.4161 31.7625 176.4719 70 M 3.3642 9.3869 122.4967 54.9005 31.2375 176.3634 71 Y 5.3624 7.2917 114.6898 56.1013 41.6816 174.9737 72 L 4.8232 8.9340 122.9426 53.8036 43.9872 175.5156 73 T 4.9810 8.7978 120.3111 61.9643 70.4056 173.8830 74 F 4.7743 8.8871 125.6824 56.1839 41.4789 175.0746 75 T 5.3644 8.5245 118.7531 61.4965 72.0426 174.0522 76 S 3.7532 8.6323 120.0667 57.8067 64.1961 173.7154 77 Q 4.5588 8.1397 117.2246 55.8882 29.1628 176.0613 78 D 4.6424 8.1470 115.0865 52.6960 39.7593 177.1970 79 G 3.8808 8.0621 106.9647 46.3104 0.0000 174.0026 80 N 4.5697 8.5184 115.8924 52.3334 39.0271 174.6596 81 N 4.1949 8.0464 114.1496 54.2166 36.3918 173.9437 82 H 4.5344 7.9448 115.0882 56.4222 29.9981 175.0119 83 Q 5.9756 9.1985 120.5397 53.0989 33.2336 174.0571 84 F 5.5342 8.5001 116.0633 55.4252 41.8579 173.7701 85 T 5.2025 8.6570 111.0687 60.9717 71.4330 173.4460 86 T 5.3635 8.9779 112.0130 60.2254 72.8912 172.6001 87 K 5.1511 9.1229 121.4481 55.2289 36.3431 175.0749 88 V 4.8200 8.4058 120.2233 61.3674 33.7029 174.9707 89 I 4.8866 9.1230 129.4546 59.9613 41.3042 175.9008 90 G 4.1434 9.4962 115.6738 45.2911 0.0000 171.8332 91 K 5.4104 8.4456 118.3099 54.5768 35.4926 177.0533 92 D 4.7622 8.9858 125.0947 52.1016 41.0027 177.1868 93 S 4.1863 8.5692 112.7533 60.7741 62.2422 175.0329 94 R 4.1922 8.4383 119.7490 55.4652 29.8493 176.1802 95 D 4.5410 8.1767 116.0601 55.1173 40.2473 173.7757 96 F 4.7873 7.3718 115.9012 56.0918 39.9136 174.9144 97 D 4.9989 8.8245 123.2692 54.9366 41.5846 175.9044 98 I 4.4132 9.0844 124.2266 59.8775 39.5051 174.7840 99 S 5.0251 8.1035 121.7977 55.6928 62.7281 171.9313 100 P 4.7689 0.0000 0.0000 62.0842 32.4625 176.1709 101 K 4.3145 8.5811 120.0454 56.4920 33.4364 176.7053 102 V 4.6349 8.5574 123.9037 61.1382 34.2834 175.3568 103 N 4.1764 10.2376 128.8490 54.4925 36.3456 175.7320 104 G 3.9954 9.0126 104.7868 45.5374 0.0000 173.3584 105 E 4.7920 7.4380 118.1201 54.4848 34.1777 174.7611 106 N 5.3374 8.3116 126.5422 53.4369 37.7035 177.0442 *109 G 3.8683 8.7145 111.5397 46.4766 0.0000 171.0645 110 D 4.3074 7.9451 121.2844 54.4518 41.8636 176.0672 111 D 4.8897 8.6442 124.4774 53.0796 41.8766 175.5487 112 V 4.5615 8.2898 125.4872 60.8277 35.3808 174.4283 113 V 4.3345 8.3040 125.7680 62.0867 31.9302 175.8561 114 L 4.3727 8.6211 128.3990 54.6138 42.1690 177.3266 115 A 4.1995 9.4370 124.9434 52.0815 18.9796 177.9920 116 T 3.8254 8.3113 117.2465 65.2156 68.1145 173.5416 117 G 4.0354 9.2507 122.6486 44.5596 0.0000 172.6162 118 S 4.8863 7.1882 113.5741 55.9825 67.1551 172.6190 119 Q 4.3760 9.3163 121.6926 54.6583 32.1445 173.4673 120 D 4.8747 8.5059 126.6632 53.9295 42.0989 175.7229 121 F 4.5341 9.2323 121.6389 55.5392 42.4627 174.1246 122 F 4.9276 8.5768 122.7213 56.5128 40.7933 175.1433 123 V 4.5296 9.0032 124.6384 62.3313 32.4999 174.6476 124 R 5.3257 8.8988 128.1996 54.1085 32.7398 176.2218 125 S 4.2374 8.9543 118.7489 59.0389 63.8313 173.2115 126 I 4.1877 9.1507 121.4971 60.3308 38.4065 177.5281 127 G 3.9329 7.4438 103.8858 45.9928 0.0000 170.3395 128 S 4.8150 8.9099 115.3755 58.6826 62.1879 175.3162 129 K 4.1278 9.0370 125.6270 57.5758 32.1602 176.5031 130 G 3.9172 8.4636 110.0929 45.2988 0.0000 173.9289 131 G 4.0727 8.3621 109.3604 44.8174 0.0000 172.7624 132 K 4.4278 8.1982 118.3714 55.9318 32.7374 177.2474 133 L 4.3864 8.8083 125.4467 54.4235 42.5110 176.2400 134 A 4.7071 7.7876 123.5772 50.1418 20.3857 177.3056 135 A 4.1237 8.6946 124.2024 51.9421 19.2039 178.1289 136 G 4.1477 8.1042 106.3664 44.2276 0.0000 172.2366 137 K 4.6591 8.0494 119.4639 55.9884 33.0699 176.4956 138 Y 5.1725 8.9100 120.9397 56.5714 41.5434 174.7815 139 T 4.8887 8.8260 111.8016 60.3837 73.2068 172.4070 140 D 4.5334 7.8845 121.0644 52.7251 43.9346 174.5047 141 A 4.0216 8.5510 129.8512 51.8438 18.3417 176.0689 142 V 4.4752 8.0923 122.7590 62.1205 33.3949 175.0234 143 T 4.8103 8.8485 124.8903 61.8025 71.0406 173.7209 144 V 4.6711 8.3631 124.4449 60.1342 33.9683 174.8092 145 T 4.4461 8.4306 121.2304 61.7121 70.9155 173.2364 146 V 4.5244 8.2584 127.0085 61.3847 32.6647 175.7121 147 S 4.4236 9.1977 125.0629 57.3306 64.9622 173.6004 148 N 4.2695 8.4408 114.7121 54.6939 35.9521 174.8190 149 Q 4.2449 7.4283 118.4090 56.1289 28.9354 175.9606 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 19 I 8.01 4.56 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.97 0.00 0.00 20 T 8.69 4.57 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 1.22 0.00 0.00 21 L 8.33 5.36 0.00 1.70 1.63 1.29 1.06 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 22 T 8.82 4.89 4.31 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 1.26 0.00 0.00 23 Y 8.27 5.36 0.00 3.08 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 24 K 8.21 4.53 0.00 1.73 1.44 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.28 7.81 25 E 8.87 4.08 0.00 2.23 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 2.37 2.50 0.00 26 G 8.59 4.13 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 0.00 0.00 0.00 27 A 8.53 4.29 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 28 P 0.00 4.26 0.00 2.04 2.01 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 29 I 7.93 4.13 1.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 0.58 0.00 0.00 30 T 8.22 4.06 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 1.16 0.00 0.00 31 I 8.11 3.88 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.85 0.00 0.00 32 M 8.65 4.36 0.00 2.03 2.17 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 2.43 0.00 33 D 8.49 4.48 0.00 2.61 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 34 N 8.02 4.41 0.00 2.84 2.91 0.00 0.00 6.19 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.75 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 36 N 8.29 4.89 0.00 2.70 2.71 0.00 0.00 6.67 7.25 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 37 I 7.53 4.72 1.59 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.65 0.61 0.00 0.00 38 D 8.24 4.42 0.00 2.58 2.53 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 39 T 8.08 4.22 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 1.22 0.00 0.00 40 E 8.85 3.81 0.00 2.13 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 0.00 2.23 2.41 0.00 41 L 7.56 4.03 0.00 1.54 1.51 0.77 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.44 4.58 0.00 1.59 1.59 1.15 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.22 3.69 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 0.70 0.00 0.00 0.96 0.00 0.00 44 G 7.21 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 45 T 7.60 5.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 46 L 8.87 4.87 0.00 1.74 1.68 0.42 0.54 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 47 T 8.87 4.91 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 48 L 9.35 5.11 0.00 2.23 2.00 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.98 4.19 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 0.00 50 G 8.46 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 0.00 0.00 0.00 51 Y 6.51 4.60 0.00 3.14 3.03 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 52 K 9.58 4.16 0.00 1.87 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.44 7.81 53 T 8.44 4.09 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 1.25 0.00 0.00 54 G 9.24 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 55 T 7.70 3.81 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 1.01 0.00 0.00 56 T 8.09 4.97 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 57 S 8.89 4.21 0.00 4.08 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 0.00 58 T 7.37 3.96 4.21 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 1.29 0.00 0.00 59 S 8.17 4.26 0.00 4.04 4.01 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 60 V 7.33 4.40 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 0.14 0.00 0.00 0.78 0.00 0.00 61 N 8.44 5.16 0.00 2.73 2.49 0.00 0.00 6.81 7.76 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 62 F 9.00 5.10 0.00 3.00 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 63 T 9.27 5.33 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 1.18 0.00 0.00 64 D 8.70 5.12 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.68 4.03 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 66 A 8.14 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.23 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 68 D 7.48 4.43 0.00 2.81 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 69 P 0.00 4.53 0.00 2.00 2.01 0.00 3.77 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 2.01 2.09 0.00 70 M 9.39 3.36 0.00 1.34 1.36 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 71 Y 7.29 5.36 0.00 2.89 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 72 L 8.93 4.82 0.00 1.73 1.66 0.84 0.50 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 73 T 8.80 4.98 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 1.21 0.00 0.00 74 F 8.89 4.77 0.00 1.51 2.78 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 75 T 8.52 5.36 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 1.18 0.00 0.00 76 S 8.63 3.75 0.00 3.51 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 77 Q 8.14 4.56 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.09 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 78 D 8.15 4.64 0.00 2.74 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 79 G 8.06 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 80 N 8.52 4.57 0.00 2.71 2.67 0.00 0.00 6.95 8.83 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 81 N 8.05 4.19 0.00 2.83 2.88 0.00 0.00 7.02 8.16 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 82 H 7.94 4.53 0.00 3.32 3.49 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 9.20 5.98 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 84 F 8.50 5.53 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 5.20 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 86 T 8.98 5.36 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 87 K 9.12 5.15 0.00 2.00 2.27 0.00 1.39 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 88 V 8.41 4.82 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 0.55 0.00 0.00 0.85 0.00 0.00 89 I 9.12 4.89 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 1.10 0.00 0.00 90 G 9.50 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 91 K 8.45 5.41 0.00 1.80 1.75 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.35 7.81 92 D 8.99 4.76 0.00 2.97 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 93 S 8.57 4.19 0.00 4.00 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 94 R 8.44 4.19 0.00 1.67 1.66 0.00 3.42 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 95 D 8.18 4.54 0.00 2.62 2.54 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 96 F 7.37 4.79 0.00 3.65 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 97 D 8.82 5.00 0.00 2.67 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 98 I 9.08 4.41 2.02 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 1.20 0.89 1.11 0.00 0.00 99 S 8.10 5.03 0.00 4.00 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 0.00 100 P 0.00 4.77 0.00 1.94 1.67 0.00 4.16 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.51 0.00 101 K 8.58 4.31 0.00 1.79 1.71 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.32 7.81 102 V 8.56 4.63 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 1.05 0.00 0.00 1.00 0.00 0.00 103 N 10.24 4.18 0.00 2.95 2.82 0.00 0.00 7.13 6.68 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 0.00 104 G 9.01 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 0.00 105 E 7.44 4.79 0.00 1.96 1.71 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 2.23 2.24 0.00 106 N 8.31 5.34 0.00 2.67 2.54 0.00 0.00 6.89 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 *109 G 8.71 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 0.00 110 D 7.95 4.31 0.00 2.70 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 0.00 111 D 8.64 4.89 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.29 4.56 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 0.99 0.00 0.00 113 V 8.30 4.33 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 0.86 0.00 0.00 0.94 0.00 0.00 114 L 8.62 4.37 0.00 1.28 1.43 0.13 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 115 A 9.44 4.20 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 0.00 116 T 8.31 3.83 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 1.21 0.00 0.00 117 G 9.25 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 0.00 118 S 7.19 4.89 0.00 3.94 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 0.00 119 Q 9.32 4.38 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.05 0.00 0.00 0.00 0.00 0.00 1.84 1.33 0.00 120 D 8.51 4.87 0.00 2.24 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 0.00 0.00 0.00 121 F 9.23 4.53 0.00 2.84 2.81 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 0.00 122 F 8.58 4.93 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.00 4.53 2.43 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 1.26 0.00 0.00 1.14 0.00 0.00 124 R 8.90 5.33 0.00 1.84 1.85 0.00 3.58 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 125 S 8.95 4.24 0.00 3.78 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 0.00 126 I 9.15 4.19 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 0.71 0.00 0.00 127 G 7.44 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 0.00 0.00 0.00 128 S 8.91 4.82 0.00 3.87 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 0.00 129 K 9.04 4.13 0.00 1.86 1.90 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.43 7.81 130 G 8.46 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.36 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 0.00 0.00 0.00 132 K 8.20 4.43 0.00 1.66 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.69 1.48 7.81 133 L 8.81 4.39 0.00 1.51 1.59 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.79 4.71 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 0.00 135 A 8.69 4.12 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 0.00 136 G 8.10 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.05 4.66 0.00 1.69 1.83 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 138 Y 8.91 5.17 0.00 3.06 3.17 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 0.00 139 T 8.83 4.89 4.18 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 1.28 0.00 0.00 140 D 7.88 4.53 0.00 1.58 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.55 4.02 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 0.00 142 V 8.09 4.48 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 0.93 0.00 0.00 0.78 0.00 0.00 143 T 8.85 4.81 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 1.19 0.00 0.00 144 V 8.36 4.67 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 0.74 0.00 0.00 0.13 0.00 0.00 145 T 8.43 4.45 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 1.16 0.00 0.00 146 V 8.26 4.52 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 0.86 0.00 0.00 147 S 9.20 4.42 0.00 3.73 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 0.00 148 N 8.44 4.27 0.00 2.83 2.87 0.00 0.00 6.82 7.69 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 0.00 149 Q 7.43 4.24 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.