NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1455 8.3149 120.1270 57.1448 32.2753 173.4937 7 K 3.4838 8.3603 116.7335 55.4697 28.9873 171.4236 8 P 4.0362 0.0000 0.0000 62.2521 32.9019 175.1834 9 D 4.5589 8.1676 122.3050 53.2437 42.2796 176.4123 10 F 4.9782 8.4623 123.2654 57.5808 39.9124 177.5533 11 T 3.9380 7.4160 114.5021 66.9980 68.4217 175.8751 12 L 4.1557 7.8676 122.6662 57.1682 42.1857 178.4891 13 F 4.1923 8.3008 120.3242 61.4785 39.4118 177.0377 14 L 3.8446 8.3648 118.6755 57.5740 41.1421 179.5111 15 Q 3.9596 8.2640 118.6756 59.2052 28.6912 179.0783 16 T 3.7937 7.4903 110.2402 64.5352 68.8887 176.5712 17 L 3.7673 7.9387 123.8057 57.3912 41.9684 179.0274 18 S 2.9560 7.7236 114.8023 60.7836 62.6041 176.6611 19 W 3.9271 7.8978 122.6178 59.2169 28.8131 178.1466 20 E 3.9558 8.2584 119.2432 59.3024 29.1098 178.9291 21 I 3.7282 7.8957 119.7963 64.4611 37.2520 177.9039 22 D 4.4085 8.1204 119.6633 57.5681 40.4905 178.1655 23 D 4.3536 7.8985 116.9053 57.8242 41.1939 178.5219 24 Q 4.1568 7.8953 116.4844 58.4977 28.9405 178.1197 25 V 4.3620 7.8816 109.7727 59.3223 34.0638 176.9376 26 G 4.0306 7.9648 104.7988 45.2645 0.0000 174.7368 27 I 3.6768 8.1963 118.6117 64.4442 37.1330 178.4890 28 E 3.8955 8.0698 119.6277 59.1356 29.5331 178.8490 29 V 3.5992 7.6564 117.9183 65.6750 31.7251 177.6479 30 R 3.8677 7.7866 118.0129 59.7070 29.8751 177.9816 31 N 4.1152 8.1813 116.1329 56.5051 38.6212 177.0299 32 E 3.8730 8.0394 120.0132 58.8723 29.6831 178.4286 33 L 3.9004 7.8808 120.5057 58.3661 42.1815 179.1475 34 L 3.8905 7.9451 118.7504 57.6986 41.4904 179.7616 35 R 4.0711 8.1485 118.3312 59.1294 29.9479 178.9145 36 E 3.9326 8.1007 118.4435 59.1253 29.1936 179.3889 37 V 3.5941 7.7167 117.6487 65.9684 31.7224 177.8023 38 G 3.6760 7.9182 105.3138 48.1206 0.0000 175.8361 39 R 4.0856 7.6850 119.2861 58.3361 30.2014 179.1187 40 G 3.8343 7.8534 105.7490 44.8475 0.0000 175.3861 *42 G 3.9089 8.1256 110.1597 44.5563 0.0000 174.3816 43 T 4.3555 7.4796 108.5999 61.9242 69.4063 175.4404 44 R 4.4937 7.9075 120.6052 56.5086 32.6148 175.8186 45 I 4.5620 7.3075 109.3961 58.1145 40.6411 172.3840 *47 P 3.9434 0.0000 0.0000 61.7482 32.0180 174.1158 48 P 4.5706 0.0000 0.0000 60.7678 32.6774 173.9304 49 P 4.2997 0.0000 0.0000 63.1704 30.1801 175.9583 50 C 4.8133 8.4007 118.9603 57.9130 30.9922 175.2601 51 Q 4.2460 8.8632 124.2938 58.2413 28.9210 176.3830 52 T 4.7609 7.2826 106.0854 58.8488 73.4268 175.0906 53 V 3.5511 8.1583 119.7996 66.1958 31.0719 177.2594 54 D 4.4186 8.1072 117.3010 57.4043 40.8792 178.3123 55 K 4.0446 8.0578 118.7930 58.9758 32.0392 179.1806 56 L 3.8674 7.7782 120.6578 58.0962 42.0434 178.4995 57 Q 3.9875 8.4407 119.9753 59.5709 29.0303 178.7398 58 I 3.6964 7.4131 119.5667 64.4716 37.1540 178.3646 59 E 3.9238 7.8745 119.2388 59.1785 29.3197 179.3406 60 L 3.4667 8.2614 119.4602 57.7810 41.6916 179.3685 61 N 4.4406 8.4066 116.1754 56.0129 38.3056 177.4372 62 A 3.9667 7.7372 122.0718 55.1469 18.0006 179.6818 63 L 3.9176 7.6590 117.4279 57.8713 41.5218 179.8069 64 L 3.9947 8.0636 118.8148 57.6635 41.3613 179.3338 65 A 4.0743 7.9567 120.1808 54.8540 18.3493 178.4910 66 L 4.0502 7.7305 118.8314 57.4066 42.2297 177.6175 67 I 4.3062 7.3700 108.9739 59.9639 38.4534 175.8289 68 G 3.9780 8.4169 109.3770 46.8674 0.0000 173.9079 69 W 4.6956 8.6338 116.6276 56.2428 29.5903 176.9418 70 G 3.9395 8.7861 105.4453 44.0533 0.0000 172.7909 71 T 5.1978 8.2765 108.2365 59.9727 72.7323 173.4038 72 V 5.1077 9.1301 121.3555 60.2674 34.8933 174.5939 73 T 4.8221 8.5955 113.2826 59.9665 71.3282 172.5840 74 L 5.0069 10.0776 126.9264 52.9820 43.6427 175.4389 75 E 4.6120 8.9684 125.0012 54.1114 32.4277 174.2790 76 L 4.6328 8.6042 129.3053 55.0609 42.5067 175.5186 77 L 4.5849 8.6912 126.0936 56.0803 43.0210 177.3097 78 S 4.7808 7.7377 113.4131 56.2445 66.4690 174.4700 79 E 4.0114 9.1033 124.1067 59.4633 29.1904 178.1034 80 D 4.9895 7.9199 113.8142 54.4812 43.2343 177.7218 81 Q 4.2763 8.2207 118.5911 58.4717 29.3231 175.6392 82 S 4.8615 7.8658 111.2356 56.6192 66.6207 172.5188 83 L 5.2258 8.4595 124.7432 52.9654 45.4769 175.0372 84 R 4.2179 9.0934 124.6506 54.7621 31.8498 174.7949 85 I 4.3383 7.8299 126.8678 59.6126 39.7097 174.6220 86 V 4.3864 8.2117 128.6169 61.4964 33.2990 173.8306 87 H 5.2066 9.3425 129.4287 54.6147 31.8621 172.9553 88 E 4.7026 9.3224 125.9920 55.2255 31.5523 175.9706 89 N 4.4337 8.6456 118.7889 53.7373 35.8497 174.9381 90 L 3.9616 7.9381 118.8989 54.5937 42.9827 174.7927 91 P 4.0732 0.0000 0.0000 62.9047 31.6980 175.5912 92 Q 4.4841 8.3431 123.7874 55.5007 30.5150 175.7729 93 V 4.3770 7.8347 122.3296 61.6102 31.9600 174.9699 94 G 3.8094 7.9081 110.3209 45.1780 0.0000 172.7411 95 S 4.6441 8.5964 112.6742 58.0432 64.1445 173.9904 96 A 3.9419 7.6769 124.8434 52.7528 18.8323 177.5827 97 G 4.2835 9.0038 104.9931 45.5707 0.0000 173.3436 98 E 4.5064 8.2060 118.5153 53.4727 31.0568 174.6871 99 P 4.5593 0.0000 0.0000 61.6577 32.4581 175.9634 100 S 4.6270 7.8061 114.4743 59.8888 62.9952 175.2661 101 G 4.2267 9.0478 113.6951 45.1903 0.0000 174.0667 102 T 4.5758 7.6661 109.2901 60.9021 69.2049 176.3278 103 W 4.2469 8.6188 134.5059 61.7160 30.6972 177.1710 104 L 4.1414 8.0138 115.4566 55.1285 41.2500 178.2277 105 A 3.9490 7.9303 122.6020 55.1207 18.3256 177.8546 106 P 4.3765 0.0000 0.0000 64.9095 31.1517 178.9024 107 V 3.7182 7.6883 117.1920 65.8796 31.3242 178.0925 108 L 3.9215 8.0760 118.7101 57.8085 41.6131 178.9407 109 E 4.0762 8.4144 118.3179 59.8403 29.4411 179.8738 110 G 3.6142 7.9534 105.2541 47.3473 0.0000 175.6161 111 L 3.6121 8.1364 124.4507 57.5898 42.0460 178.6740 112 Y 4.3229 7.9364 116.9886 60.8896 37.5385 178.6941 113 G 3.8359 8.0834 106.7352 48.1098 0.0000 175.5934 114 R 4.0708 7.7650 120.4266 58.5622 29.9438 178.4831 115 W 4.4729 8.3116 118.1191 60.1167 29.2451 178.4265 116 V 3.9071 8.2980 116.8832 65.9807 31.1909 177.9365 117 T 4.2806 7.8327 114.3666 65.0540 68.1929 174.7484 118 S 4.4275 7.1017 114.0559 58.0498 65.0298 175.8397 119 Q 3.1076 8.4596 118.7775 56.1274 27.1812 172.6612 120 A 4.2954 8.6884 122.8824 55.2363 18.6591 177.7006 121 G 4.2683 9.2928 109.9429 45.7623 0.0000 174.9838 122 A 4.1626 7.8671 121.8092 54.2316 18.3717 178.1185 123 F 4.7951 7.8923 112.8519 57.5781 38.9330 176.3597 124 G 2.9652 7.7434 109.9609 44.0389 0.0000 173.0648 125 D 4.1724 7.5452 118.6018 55.3436 39.0737 171.8090 126 Y 5.2883 7.2978 116.2051 57.4219 40.2052 177.3033 127 V 4.5717 9.5973 115.3431 59.6999 35.3169 175.1998 128 V 4.7200 8.5393 124.7776 61.6422 32.7956 174.9721 129 T 5.0336 8.7845 117.5223 58.6506 71.9430 173.5225 130 R 4.2449 8.8443 124.8577 56.3917 30.9560 174.8685 131 D 4.8066 8.9276 127.5045 53.4726 41.8314 176.3094 132 V 4.0103 8.6168 125.6753 63.0804 32.8598 177.0445 133 D 5.7175 8.3798 117.5058 53.3265 40.7562 177.3809 134 A 4.4163 7.8783 124.2333 53.9268 19.1936 180.1606 135 E 3.9678 8.2005 117.3402 59.3270 29.4863 178.5203 136 D 4.4242 7.5434 117.3968 54.9447 39.9372 178.7145 137 L 3.9243 7.3670 119.0418 57.5343 41.6900 177.3729 138 N 4.5313 7.8924 112.7841 52.3873 39.2425 174.2995 139 A 3.7809 7.5780 118.3549 53.6116 16.5606 178.2176 140 V 3.9268 8.3315 113.9640 60.1598 33.1134 175.5770 141 P 4.3133 0.0000 0.0000 62.8183 31.9265 177.2014 142 R 3.8668 8.7853 121.5737 59.7483 30.0647 177.2764 143 Q 4.4644 8.0603 114.0592 56.0190 28.9100 174.2403 144 T 5.1062 7.7092 116.0349 62.3670 69.8689 174.2572 145 I 4.6410 8.9875 127.8022 59.6545 39.9128 174.9953 146 I 4.8104 8.1458 127.6063 59.3010 39.8828 175.0054 *148 Y 5.4234 7.8258 119.2338 58.3465 40.3981 173.5324 *150 R 4.9049 8.5464 120.3490 57.0970 32.4088 174.8178 151 V 4.3226 8.4698 119.1327 60.6318 32.5525 176.2249 152 R 4.5449 7.9215 123.8329 55.8231 33.9462 174.2464 153 S 4.2129 8.2605 115.5349 59.3698 63.3437 173.6573 154 S 4.4434 8.6524 116.7086 59.7291 63.8262 174.3152 155 A 4.4740 7.6374 121.2572 51.2173 19.8936 177.1413 156 T 4.1561 8.2283 108.4995 61.8992 69.1765 174.9073 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 6 K 8.31 4.15 0.00 1.72 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.52 7.81 7 K 8.36 3.48 0.00 1.90 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.48 7.81 8 P 0.00 4.04 0.00 1.40 1.62 0.00 3.61 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 1.97 1.97 0.00 9 D 8.17 4.56 0.00 2.54 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 8.46 4.98 0.00 3.23 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 11 T 7.42 3.94 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 12 L 7.87 4.16 0.00 1.68 1.69 0.91 1.02 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 13 F 8.30 4.19 0.00 3.30 3.45 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 0.00 14 L 8.36 3.84 0.00 2.11 1.66 1.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.26 3.96 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 16 T 7.49 3.79 4.09 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 1.08 0.00 0.00 17 L 7.94 3.77 0.00 0.92 1.15 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.72 2.96 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 7.90 3.93 0.00 3.30 3.27 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 20 E 8.26 3.96 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 21 I 7.90 3.73 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 1.09 0.00 0.00 22 D 8.12 4.41 0.00 2.84 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 7.90 4.35 0.00 2.84 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 24 Q 7.90 4.16 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 25 V 7.88 4.36 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 0.78 0.00 0.00 1.03 0.00 0.00 26 G 7.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.20 3.68 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 1.53 0.54 0.92 0.00 0.00 28 E 8.07 3.90 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 29 V 7.66 3.60 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 0.98 0.00 0.00 0.93 0.00 0.00 30 R 7.79 3.87 0.00 1.99 2.19 0.00 3.19 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.24 0.00 31 N 8.18 4.12 0.00 2.92 2.79 0.00 0.00 6.74 7.23 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 32 E 8.04 3.87 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 33 L 7.88 3.90 0.00 1.80 1.84 0.93 0.68 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 34 L 7.95 3.89 0.00 1.81 1.47 0.58 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.15 4.07 0.00 1.94 1.92 0.00 3.09 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 36 E 8.10 3.93 0.00 2.16 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 2.30 2.43 0.00 37 V 7.72 3.59 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 0.78 0.00 0.00 0.98 0.00 0.00 38 G 7.92 3.68 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 0.00 0.00 0.00 39 R 7.69 4.09 0.00 1.89 1.95 0.00 3.29 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 40 G 7.85 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 *42 G 8.13 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 43 T 7.48 4.36 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 1.27 0.00 0.00 44 R 7.91 4.49 0.00 1.76 1.96 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 45 I 7.31 4.56 1.94 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 1.56 1.36 0.92 0.00 0.00 *47 P 0.00 3.94 0.00 2.06 1.78 0.00 3.60 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 48 P 0.00 4.57 0.00 2.17 2.08 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 49 P 0.00 4.30 0.00 2.06 2.06 0.00 3.60 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 2.03 2.12 0.00 50 C 8.40 4.81 0.00 2.92 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 51 Q 8.86 4.25 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 52 T 7.28 4.76 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 8.16 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 54 D 8.11 4.42 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.06 4.04 0.00 2.01 1.82 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 56 L 7.78 3.87 0.00 1.90 1.85 0.87 0.66 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 57 Q 8.44 3.99 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 58 I 7.41 3.70 1.99 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 0.89 0.88 0.00 0.00 59 E 7.87 3.92 0.00 1.95 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 2.46 2.41 0.00 60 L 8.26 3.47 0.00 1.82 1.80 0.37 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.41 4.44 0.00 2.83 2.89 0.00 0.00 6.94 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 62 A 7.74 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.66 3.92 0.00 1.51 1.59 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.06 3.99 0.00 2.00 2.03 1.25 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.96 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.73 4.05 0.00 1.83 1.82 0.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.37 4.31 1.81 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.85 0.00 0.00 68 G 8.42 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 69 W 8.63 4.70 0.00 3.31 3.42 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 70 G 8.79 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 71 T 8.28 5.20 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 9.13 5.11 2.35 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 0.96 0.00 0.00 0.93 0.00 0.00 73 T 8.60 4.82 4.22 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 1.20 0.00 0.00 74 L 10.08 5.01 0.00 1.36 1.60 1.02 0.80 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 75 E 8.97 4.61 0.00 1.95 1.73 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 2.17 2.19 0.00 76 L 8.60 4.63 0.00 1.67 1.55 1.00 1.00 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 77 L 8.69 4.58 0.00 1.62 1.72 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.74 4.78 0.00 3.85 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 79 E 9.10 4.01 0.00 1.95 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 2.34 2.44 0.00 80 D 7.92 4.99 0.00 2.73 2.86 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 81 Q 8.22 4.28 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 82 S 7.87 4.86 0.00 3.88 3.68 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 83 L 8.46 5.23 0.00 1.49 1.42 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.09 4.22 0.00 1.71 1.59 0.00 2.77 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 85 I 7.83 4.34 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.53 0.09 0.00 0.00 86 V 8.21 4.39 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 0.89 0.00 0.00 0.82 0.00 0.00 87 H 9.34 5.21 0.00 3.24 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.32 4.70 0.00 1.89 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 2.26 2.27 0.00 89 N 8.65 4.43 0.00 2.90 2.90 0.00 0.00 6.92 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 7.94 3.96 0.00 1.63 1.71 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.07 0.00 1.45 1.61 0.00 2.91 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.43 0.00 92 Q 8.34 4.48 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.45 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 93 V 7.83 4.38 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 0.83 0.00 0.00 0.96 0.00 0.00 94 G 7.91 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 95 S 8.60 4.64 0.00 4.11 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 0.00 96 A 7.68 3.94 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 97 G 9.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.21 4.51 0.00 1.91 1.89 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 2.19 2.31 0.00 99 P 0.00 4.56 0.00 2.23 2.19 0.00 3.72 0.00 0.00 3.78 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 7.81 4.63 0.00 3.91 3.97 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 0.00 0.00 0.00 101 G 9.05 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 0.00 102 T 7.67 4.58 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 1.24 0.00 0.00 103 W 8.62 4.25 0.00 3.30 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 0.00 104 L 8.01 4.14 0.00 1.74 1.60 1.20 0.79 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 0.00 105 A 7.93 3.95 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 0.00 106 P 0.00 4.38 0.00 1.96 2.01 0.00 3.76 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 1.99 1.90 0.00 107 V 7.69 3.72 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 108 L 8.08 3.92 0.00 2.08 1.86 1.12 0.61 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 0.00 109 E 8.41 4.08 0.00 2.21 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 0.00 2.42 2.42 0.00 110 G 7.95 3.61 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 0.00 0.00 0.00 111 L 8.14 3.61 0.00 1.28 1.00 -0.15 -0.19 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 7.94 4.32 0.00 3.16 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 0.00 113 G 8.08 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.77 4.07 0.00 1.88 1.91 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 115 W 8.31 4.47 0.00 3.36 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.30 3.91 2.27 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 0.82 0.00 0.00 1.18 0.00 0.00 117 T 7.83 4.28 4.57 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 0.00 0.00 0.00 1.24 0.00 0.00 118 S 7.10 4.43 0.00 4.03 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 0.00 119 Q 8.46 3.11 0.00 2.32 2.09 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 2.36 2.40 0.00 120 A 8.69 4.30 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 0.00 121 G 9.29 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 0.00 0.00 0.00 122 A 7.87 4.16 0.83 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 0.00 123 F 7.89 4.80 0.00 3.12 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 0.00 124 G 7.74 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.55 4.17 0.00 2.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 5.29 0.00 2.95 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 0.00 127 V 9.60 4.57 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 0.74 0.00 0.00 1.07 0.00 0.00 128 V 8.54 4.72 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 0.88 0.00 0.00 0.99 0.00 0.00 129 T 8.78 5.03 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 1.24 0.00 0.00 130 R 8.84 4.24 0.00 1.85 1.89 0.00 3.22 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 131 D 8.93 4.81 0.00 3.07 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 0.00 132 V 8.62 4.01 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 0.79 0.00 0.00 0.94 0.00 0.00 133 D 8.38 5.72 0.00 2.79 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 0.00 134 A 7.88 4.42 1.44 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 0.00 0.00 135 E 8.20 3.97 0.00 2.21 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 2.41 2.50 0.00 136 D 7.54 4.42 0.00 2.94 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 0.00 137 L 7.37 3.92 0.00 1.86 1.79 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.89 4.53 0.00 2.80 2.81 0.00 0.00 7.34 7.84 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 0.00 139 A 7.58 3.78 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 0.00 140 V 8.33 3.93 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 0.72 0.00 0.00 1.00 0.00 0.00 141 P 0.00 4.31 0.00 2.18 2.00 0.00 3.63 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 2.12 2.10 0.00 142 R 8.79 3.87 0.00 1.77 2.00 0.00 3.24 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 143 Q 8.06 4.46 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 144 T 7.71 5.11 4.40 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 1.21 0.00 0.00 145 I 8.99 4.64 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 1.27 1.18 0.91 0.00 0.00 146 I 8.15 4.81 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 1.17 1.38 0.76 0.00 0.00 *148 Y 7.83 5.42 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 R 8.55 4.90 0.00 1.87 2.01 0.00 3.40 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 151 V 8.47 4.32 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 0.75 0.00 0.00 0.95 0.00 0.00 152 R 7.92 4.54 0.00 1.95 1.96 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.00 153 S 8.26 4.21 0.00 3.85 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 0.00 154 S 8.65 4.44 0.00 3.81 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 0.00 155 A 7.64 4.47 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 0.00 156 T 8.23 4.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.