NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2841 8.4293 120.2276 56.1463 30.8315 174.9019 6 K 3.8488 8.3231 121.8206 56.1338 32.5548 174.6550 7 K 4.4054 9.1335 124.6454 54.1886 34.4992 175.9054 8 P 4.1901 0.0000 0.0000 62.3155 31.7703 176.0192 9 D 4.3972 8.1603 121.6175 54.0867 41.9747 176.6014 10 F 4.8257 8.4864 123.3979 57.8719 39.7697 177.9415 11 T 3.9052 8.1728 116.8949 66.7916 68.3374 175.8861 12 L 4.1533 7.8583 122.6999 57.5412 42.1994 178.3834 13 F 4.2764 8.2751 121.4300 60.8994 39.3423 177.0233 14 L 3.9064 8.6724 118.7273 57.5442 40.8139 179.5209 15 Q 4.0971 8.7255 120.0477 58.6922 28.7961 179.0246 16 T 3.7935 7.8372 110.7700 64.2756 68.7505 176.5525 17 L 3.7176 7.9458 123.7202 57.7452 42.0960 178.7282 18 S 2.8367 7.5023 114.5347 60.9858 62.4520 176.4099 19 W 3.8508 7.7813 122.4948 59.1013 28.7070 177.9681 20 E 3.9617 8.4223 119.1402 59.4402 29.0943 178.5434 21 I 3.7394 7.9830 120.0131 64.9246 37.1193 178.2006 22 D 4.6049 8.3941 117.9868 56.9647 40.5853 178.2834 23 D 4.3590 7.7868 118.0684 57.0867 41.4082 177.4443 24 Q 4.3773 7.6474 116.1777 56.6104 29.5311 176.8929 25 V 4.1541 8.2418 111.9847 61.1111 33.8969 174.0305 26 G 3.7732 7.7412 103.3959 44.2451 0.0000 172.8741 27 I 4.2514 8.3307 111.0493 62.6971 38.9116 177.5134 28 E 4.1960 7.9917 119.6056 58.6595 29.3525 179.1953 29 V 3.6503 7.6335 118.1362 65.4268 31.7719 177.6307 30 R 3.8479 7.9403 118.0235 59.6225 29.9065 177.9299 31 N 4.0945 8.5073 116.2439 56.3857 38.6662 176.9039 32 E 3.8837 8.1162 120.5385 59.1242 29.5915 178.7351 33 L 3.8678 7.8239 120.1775 58.2909 42.3148 178.8984 34 L 3.8689 8.1115 119.2713 57.6967 41.3559 179.7102 35 R 3.9736 8.0060 118.7056 59.3902 29.9606 178.3073 36 E 3.9158 7.9356 117.9497 59.5067 29.4716 179.5904 37 V 3.4623 7.8171 118.3409 65.6841 31.5598 178.3598 38 G 3.3281 8.0812 105.4554 47.8655 0.0000 175.3730 39 R 3.8866 7.9612 120.2453 59.0092 30.4364 178.5724 40 G 4.0498 8.7294 105.8996 48.5465 0.0000 175.2702 41 M 4.0601 8.4688 121.9372 57.8305 31.7453 179.0417 42 G 3.6037 7.7284 104.3314 47.0141 0.0000 175.1708 43 T 4.1984 7.6926 111.0473 63.9952 69.1547 176.6872 44 R 4.2326 7.8700 120.8742 56.9378 30.5991 176.9100 45 I 4.7182 7.2200 110.4446 59.3347 40.4280 174.2068 46 M 4.7892 8.3087 122.7473 52.7906 35.9159 173.0500 47 P 4.3766 0.0000 0.0000 61.0192 32.6412 173.8626 48 P 4.4715 0.0000 0.0000 61.1527 32.0274 174.1777 49 P 4.3157 0.0000 0.0000 63.0194 31.4732 175.4807 50 C 4.6770 8.3755 121.0144 58.0721 29.8915 174.0237 51 Q 4.1219 8.7193 123.1693 58.3806 28.8403 176.3808 52 T 4.7411 7.3840 106.3698 59.1195 73.4341 174.7349 53 V 3.6511 8.1252 119.2095 65.9467 31.4112 177.2783 54 D 4.3134 7.9751 117.5387 57.0416 41.1492 178.1576 55 K 3.9270 8.0996 119.1139 59.4395 32.0455 178.9621 56 L 3.9104 7.9548 120.5520 58.0541 41.8001 178.8434 57 Q 3.9408 8.1359 119.4951 59.2701 29.0657 178.2361 58 I 3.6669 7.4747 120.4519 64.4791 37.0253 178.1426 59 E 3.8648 8.2157 119.2640 59.5390 29.2884 179.5951 60 L 3.4494 8.1853 119.2184 57.6748 41.5984 179.2852 61 N 4.3830 8.5296 116.5681 56.2353 38.5279 177.2865 62 A 3.9834 8.1266 122.2777 55.0416 18.0290 179.7498 63 L 3.9018 7.4365 117.4830 57.8972 41.6098 179.6950 64 L 4.0415 8.2425 118.8384 57.7206 41.3373 179.3844 65 A 4.0654 8.4987 121.2817 55.0001 18.0401 179.4051 66 L 4.0165 7.7044 118.0936 57.2146 42.2099 177.6626 67 I 4.4307 7.1196 108.6819 59.7243 38.0084 175.3254 68 G 4.0424 7.8164 108.1805 47.2271 0.0000 174.5161 69 W 4.6764 8.5408 117.3222 56.2074 29.6172 176.2004 70 G 3.9928 8.5940 104.2057 44.0589 0.0000 172.9216 71 T 5.1353 8.1858 108.2827 60.2271 72.8248 173.4504 72 V 5.1421 9.1462 121.3222 60.5116 34.8443 174.3935 73 T 4.8341 8.7511 112.7715 60.0458 71.9060 172.9227 74 L 5.1403 10.2212 122.9483 52.9531 44.7971 175.6500 75 E 4.5984 9.0068 124.3847 54.1804 32.8281 173.9280 76 L 4.8885 8.5769 128.9069 53.8547 43.2393 175.1825 77 L 4.6818 8.9788 127.5443 53.6284 42.6394 177.0826 78 S 4.2634 8.8950 118.8689 61.4426 63.7275 175.1293 79 E 4.0033 8.2122 119.8590 58.4977 29.2694 177.1270 80 D 4.9655 7.6495 115.8888 51.8542 41.5938 175.2193 81 Q 4.4949 8.3633 117.0795 56.6525 29.2981 176.4060 82 S 4.6641 7.8560 112.2518 57.2614 66.0525 172.6678 83 L 4.9960 8.5141 121.8313 53.2137 44.6847 175.0416 84 R 3.9458 8.9854 128.5904 55.4682 31.4716 174.8657 85 I 4.5969 8.6503 128.2289 59.4222 39.7824 174.7082 86 V 4.5942 8.1982 126.9430 61.4018 33.8557 173.5041 87 H 5.2711 9.3288 129.3638 54.7065 31.8228 173.3657 88 E 4.7194 9.3856 125.7293 55.2424 31.8387 175.6939 89 N 4.4959 8.6049 116.9462 53.4639 35.9599 174.9692 90 L 3.8028 7.9316 118.7559 54.7238 42.6791 174.8022 91 P 4.0489 0.0000 0.0000 63.2344 31.3767 175.2274 92 Q 4.6232 8.2810 122.3595 54.4265 30.6166 176.0307 93 V 4.2852 7.9245 116.7049 59.1518 32.0893 175.4971 94 G 3.8730 7.9315 110.9045 44.8437 0.0000 172.0408 95 S 4.6597 8.5143 113.4393 57.9900 63.4657 174.0827 96 A 4.0561 7.6663 124.2817 53.2000 18.8417 177.2154 97 G 4.0828 8.9439 105.6616 44.6711 0.0000 172.9978 98 E 4.4653 8.2620 117.2547 53.5847 31.3379 174.4581 99 P 4.5931 0.0000 0.0000 61.4737 32.7195 175.7025 100 S 4.2297 8.3472 114.8424 59.9566 63.1801 174.8382 101 G 4.2409 8.8607 113.1728 45.4012 0.0000 174.8548 102 T 4.5498 7.7945 110.0305 60.9094 69.1561 175.8359 103 W 4.3354 8.6821 134.2305 61.5274 30.6461 177.0342 104 L 4.0603 8.0991 116.2933 56.3281 41.9481 178.4839 105 A 3.9844 8.3343 122.4605 54.9626 18.3007 177.8226 106 P 4.4070 0.0000 0.0000 65.2532 30.9577 178.3165 107 V 3.7499 7.8737 118.2571 66.1225 31.3239 177.7574 108 L 3.9317 8.0146 118.3818 58.1504 40.9736 179.0782 109 E 4.0704 8.2540 117.8535 59.2766 29.4759 179.1120 110 G 3.8658 7.9575 105.0480 48.0225 0.0000 175.0588 111 L 3.4538 7.8992 123.1801 57.8518 41.9615 178.6911 112 Y 4.2796 8.2155 117.0632 60.8612 37.8870 178.4556 113 G 3.9038 8.5398 107.2584 48.0916 0.0000 175.5813 114 R 3.9737 7.8808 120.7563 58.8995 30.0450 178.4000 115 W 4.5116 8.3607 117.8194 59.6404 29.2458 178.2023 116 V 4.0533 8.4241 118.1181 65.8161 31.1196 177.8986 117 T 3.9728 7.7603 114.2595 67.0157 68.4561 176.0543 118 S 4.1971 8.1361 114.6443 60.7364 62.0874 175.1388 119 Q 4.0050 8.0305 123.5244 55.4455 29.4266 174.8777 120 A 4.2519 8.5640 127.6426 52.7887 18.3518 178.3015 121 G 4.0078 8.9999 110.3875 46.1585 0.0000 173.0683 122 A 3.9971 7.2824 120.2158 51.0534 17.9510 177.5573 123 F 4.4152 7.4440 121.9286 58.5598 39.2062 177.1316 124 G 3.8315 8.8444 111.5825 46.8879 0.0000 173.2689 125 D 4.8093 7.8264 119.1606 54.4344 42.5621 175.9160 126 Y 5.0198 8.2692 118.4072 58.5070 38.5293 176.2419 127 V 4.3882 8.9043 125.1845 61.4784 34.6925 174.0352 128 V 5.0211 8.1968 120.1218 61.4913 34.6405 175.1515 129 T 4.6554 8.7663 122.7995 61.9320 72.4957 173.5964 130 R 4.5214 8.8190 127.1008 56.3438 31.1406 174.8065 131 D 5.0442 8.5254 123.2227 51.7628 43.8066 176.1066 132 V 4.5484 7.8601 122.5374 62.1758 31.8804 175.3062 133 D 4.5195 9.2975 122.3337 56.5171 41.6960 178.8015 134 A 4.7468 8.0822 120.1360 52.1456 21.3434 179.4181 135 E 3.4384 8.3864 125.9348 58.6051 29.8270 176.2651 *139 A 4.2925 8.8828 111.5232 51.6535 19.8565 176.9516 140 V 4.4436 7.8457 120.8052 60.0539 34.2148 173.7120 141 P 4.2877 0.0000 0.0000 62.9872 32.0050 176.9890 142 R 3.8247 8.9028 122.8924 59.8630 30.0812 177.3738 143 Q 4.3879 8.0088 113.7709 56.2788 29.0495 174.7809 144 T 4.9460 7.8002 116.3994 62.9796 69.5824 174.2797 145 I 4.5879 8.8715 127.0459 59.5143 40.6253 174.4987 146 I 4.9129 8.2895 126.5659 59.9886 39.9412 174.4882 147 M 5.2698 8.9110 124.5787 54.1155 37.1021 173.4433 148 Y 4.9968 9.3057 118.5463 56.4559 41.9396 174.6450 149 M 5.7935 9.2282 122.6367 52.6395 35.0101 174.9849 150 R 4.7253 8.2682 119.4891 53.8093 33.5095 174.9454 151 V 4.6226 8.7208 120.5513 62.0510 32.3687 175.1728 152 R 4.7521 8.5808 122.8049 54.7672 33.0876 175.8536 153 S 4.5640 8.7608 119.7185 57.6961 62.1791 173.6804 154 S 3.5574 9.4676 127.9300 59.8694 60.7089 172.5114 155 A 3.9883 8.2607 126.7452 52.4454 17.9813 178.8177 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 E 8.43 4.28 0.00 1.96 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 2.21 2.37 0.00 6 K 8.32 3.85 0.00 1.92 1.82 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 7 K 9.13 4.41 0.00 1.78 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 8 P 0.00 4.19 0.00 1.30 1.66 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 9 D 8.16 4.40 0.00 2.53 2.44 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 0.00 10 F 8.49 4.83 0.00 3.28 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 11 T 8.17 3.91 4.37 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 1.29 0.00 0.00 12 L 7.86 4.15 0.00 1.68 1.70 0.92 0.98 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 13 F 8.28 4.28 0.00 3.27 3.50 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 14 L 8.67 3.91 0.00 2.04 1.66 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.73 4.10 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 16 T 7.84 3.79 4.11 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 1.07 0.00 0.00 17 L 7.95 3.72 0.00 0.83 1.32 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.50 2.84 0.00 2.72 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 19 W 7.78 3.85 0.00 3.52 3.32 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 20 E 8.42 3.96 0.00 2.21 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 2.32 2.43 0.00 21 I 7.98 3.74 2.10 0.00 0.00 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 1.62 0.49 1.09 0.00 0.00 22 D 8.39 4.60 0.00 2.50 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.36 0.00 3.07 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 24 Q 7.65 4.38 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 25 V 8.24 4.15 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 0.71 0.00 0.00 0.97 0.00 0.00 26 G 7.74 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.33 4.25 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 0.90 0.00 0.00 28 E 7.99 4.20 0.00 2.06 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 2.38 2.40 0.00 29 V 7.63 3.65 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 1.03 0.00 0.00 0.92 0.00 0.00 30 R 7.94 3.85 0.00 2.03 2.10 0.00 3.53 0.00 0.00 3.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.71 0.00 31 N 8.51 4.09 0.00 2.84 2.77 0.00 0.00 6.73 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.12 3.88 0.00 2.17 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 2.29 2.34 0.00 33 L 7.82 3.87 0.00 1.85 1.79 0.92 0.45 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 34 L 8.11 3.87 0.00 1.64 1.49 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.01 3.97 0.00 2.03 1.98 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 36 E 7.94 3.92 0.00 2.20 1.95 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 2.45 2.44 0.00 37 V 7.82 3.46 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 0.80 0.00 0.00 0.92 0.00 0.00 38 G 8.08 3.33 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 0.00 39 R 7.96 3.89 0.00 1.80 1.98 0.00 3.19 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 40 G 8.73 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 41 M 8.47 4.06 0.00 1.71 1.87 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 42 G 7.73 3.60 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 0.00 0.00 0.00 43 T 7.69 4.20 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 1.20 0.00 0.00 44 R 7.87 4.23 0.00 1.84 2.01 0.00 3.25 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 1.84 1.72 0.00 45 I 7.22 4.72 1.92 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 1.49 0.99 0.92 0.00 0.00 46 M 8.31 4.79 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 47 P 0.00 4.38 0.00 2.02 1.72 0.00 3.66 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 48 P 0.00 4.47 0.00 2.17 2.07 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 49 P 0.00 4.32 0.00 2.20 2.12 0.00 3.73 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 1.98 1.98 0.00 50 C 8.38 4.68 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.72 4.12 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 52 T 7.38 4.74 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 53 V 8.13 3.65 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 1.02 0.00 0.00 0.93 0.00 0.00 54 D 7.98 4.31 0.00 2.82 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 55 K 8.10 3.93 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 56 L 7.95 3.91 0.00 1.90 1.86 0.91 0.70 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 57 Q 8.14 3.94 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 I 7.47 3.67 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.53 0.89 0.00 0.00 59 E 8.22 3.86 0.00 2.04 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 0.00 2.43 2.44 0.00 60 L 8.19 3.45 0.00 1.94 1.84 0.34 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.53 4.38 0.00 2.91 2.89 0.00 0.00 6.91 8.37 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 62 A 8.13 3.98 1.31 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 0.00 0.00 63 L 7.44 3.90 0.00 1.30 1.44 0.79 0.20 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 64 L 8.24 4.04 0.00 2.05 2.02 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.50 4.07 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 66 L 7.70 4.02 0.00 1.85 1.99 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.12 4.43 1.88 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.87 0.00 0.00 68 G 7.82 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 69 W 8.54 4.68 0.00 3.32 3.44 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 0.00 70 G 8.59 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 0.00 0.00 0.00 71 T 8.19 5.14 4.33 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 1.24 0.00 0.00 72 V 9.15 5.14 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 0.90 0.00 0.00 0.84 0.00 0.00 73 T 8.75 4.83 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 1.20 0.00 0.00 74 L 10.22 5.14 0.00 1.63 1.56 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.01 4.60 0.00 1.94 1.68 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 2.16 2.19 0.00 76 L 8.58 4.89 0.00 1.66 1.55 0.96 0.99 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 77 L 8.98 4.68 0.00 1.70 1.59 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.89 4.26 0.00 3.98 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 79 E 8.21 4.00 0.00 1.95 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 0.00 2.33 2.41 0.00 80 D 7.65 4.97 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 4.49 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 82 S 7.86 4.66 0.00 4.04 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 83 L 8.51 5.00 0.00 1.55 1.41 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.99 3.95 0.00 1.71 1.60 0.00 3.18 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.00 85 I 8.65 4.60 1.62 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.49 0.16 0.00 0.00 86 V 8.20 4.59 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 0.91 0.00 0.00 0.83 0.00 0.00 87 H 9.33 5.27 0.00 3.30 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.39 4.72 0.00 1.91 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 2.27 2.27 0.00 89 N 8.60 4.50 0.00 2.91 2.91 0.00 0.00 6.87 7.85 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 90 L 7.93 3.80 0.00 1.60 1.67 0.77 0.87 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 91 P 0.00 4.05 0.00 1.75 1.67 0.00 3.28 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 92 Q 8.28 4.62 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.36 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 93 V 7.92 4.29 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 0.92 0.00 0.00 0.97 0.00 0.00 94 G 7.93 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 95 S 8.51 4.66 0.00 4.05 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 96 A 7.67 4.06 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 97 G 8.94 4.08 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 0.00 0.00 0.00 98 E 8.26 4.47 0.00 1.89 1.86 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 2.19 2.31 0.00 99 P 0.00 4.59 0.00 2.23 2.21 0.00 3.71 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 2.08 1.99 0.00 100 S 8.35 4.23 0.00 3.90 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 0.00 101 G 8.86 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 0.00 0.00 0.00 0.00 102 T 7.79 4.55 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 1.29 0.00 0.00 103 W 8.68 4.34 0.00 3.29 3.32 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 0.00 104 L 8.10 4.06 0.00 1.76 1.61 1.32 0.66 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 0.00 105 A 8.33 3.98 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 0.00 106 P 0.00 4.41 0.00 2.25 2.23 0.00 3.80 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 107 V 7.87 3.75 2.40 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 1.09 0.00 0.00 1.04 0.00 0.00 108 L 8.01 3.93 0.00 2.19 1.87 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.25 4.07 0.00 2.12 1.99 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 2.42 2.40 0.00 110 G 7.96 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 0.00 111 L 7.90 3.45 0.00 1.25 1.19 -0.48 -0.22 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 0.00 112 Y 8.22 4.28 0.00 3.08 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 0.00 113 G 8.54 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 0.00 0.00 0.00 114 R 7.88 3.97 0.00 1.90 1.91 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 115 W 8.36 4.51 0.00 3.43 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.42 4.05 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 1.32 0.00 0.00 1.15 0.00 0.00 117 T 7.76 3.97 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 1.26 0.00 0.00 118 S 8.14 4.20 0.00 4.07 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 0.00 119 Q 8.03 4.01 0.00 2.47 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 120 A 8.56 4.25 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 0.00 121 G 9.00 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 0.00 0.00 0.00 122 A 7.28 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.44 4.42 0.00 2.09 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 0.00 124 G 8.84 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 0.00 0.00 0.00 125 D 7.83 4.81 0.00 2.68 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 0.00 126 Y 8.27 5.02 0.00 3.07 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 0.00 127 V 8.90 4.39 2.14 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 0.95 0.00 0.00 0.99 0.00 0.00 128 V 8.20 5.02 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 0.91 0.00 0.00 0.99 0.00 0.00 129 T 8.77 4.66 4.29 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 1.22 0.00 0.00 130 R 8.82 4.52 0.00 1.83 1.91 0.00 3.18 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 131 D 8.53 5.04 0.00 2.96 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.86 4.55 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 0.91 0.00 0.00 0.94 0.00 0.00 133 D 9.30 4.52 0.00 3.07 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.08 4.75 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 0.00 135 E 8.39 3.44 0.00 2.20 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 2.32 2.38 0.00 *139 A 8.88 4.29 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 0.00 140 V 7.85 4.44 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 0.82 0.00 0.00 0.93 0.00 0.00 141 P 0.00 4.29 0.00 2.12 1.99 0.00 3.68 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 2.13 2.12 0.00 142 R 8.90 3.82 0.00 1.75 1.99 0.00 3.46 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 143 Q 8.01 4.39 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 144 T 7.80 4.95 4.36 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 1.24 0.00 0.00 145 I 8.87 4.59 1.90 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 1.25 0.94 0.92 0.00 0.00 146 I 8.29 4.91 1.88 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 1.29 1.24 0.84 0.00 0.00 147 M 8.91 5.27 0.00 1.83 1.73 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 148 Y 9.31 5.00 0.00 2.77 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 0.00 149 M 9.23 5.79 0.00 1.73 1.75 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 150 R 8.27 4.73 0.00 1.80 1.91 0.00 2.94 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 151 V 8.72 4.62 2.46 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 0.95 0.00 0.00 1.10 0.00 0.00 152 R 8.58 4.75 0.00 1.85 1.85 0.00 3.30 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 153 S 8.76 4.56 0.00 4.01 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 0.00 154 S 9.47 3.56 0.00 4.01 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 0.00 155 A 8.26 3.99 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 * Residues marked with a * may have inaccurate shift predictions.