NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0974 8.1633 120.7287 55.2590 33.9631 173.8619 2 R 4.8420 9.3256 118.6539 52.9531 34.5709 169.6579 3 V 5.5748 8.3304 121.4902 59.8086 35.6990 173.4377 4 V 4.9004 8.7518 124.5185 61.2959 33.8065 173.9412 5 I 5.0078 9.0217 129.1982 59.6712 39.9169 174.5561 6 Q 5.7571 8.8514 125.5636 53.0601 32.3920 174.7806 7 R 4.5868 8.5775 124.2147 56.3032 31.4346 175.3048 8 V 5.0753 8.5658 119.4906 59.7618 34.5204 176.7284 9 K 4.3498 8.7983 122.6376 57.4596 32.9447 176.6655 10 G 4.4804 7.6193 106.0688 45.6154 0.0000 172.4333 11 A 5.2501 7.7094 117.3765 52.0808 22.3869 176.0365 12 I 4.2516 8.1925 123.5890 61.5916 39.1791 175.3373 13 L 4.9205 8.7646 127.2166 53.6209 44.8967 175.1222 14 S 5.2299 9.3707 122.9856 57.0546 65.7054 175.4555 15 V 4.1155 8.4380 116.4676 62.1037 32.7413 176.1984 *28 E 4.0842 7.9528 118.7474 55.4665 30.5556 175.1644 29 I 3.8776 8.4412 122.8155 62.3534 37.0207 173.8511 30 I 4.4839 8.4353 116.4598 61.0266 38.7366 175.9473 31 S 4.7970 7.6691 117.0763 56.6620 65.8780 172.1224 32 E 5.3017 8.1687 119.6588 55.4946 32.4607 173.9980 33 I 5.1146 8.5912 121.2445 58.2682 42.2808 178.3866 34 K 4.4908 8.6796 122.7487 54.4432 31.3420 178.8736 35 N 4.8556 8.8097 116.4969 53.2113 40.0172 174.0758 36 G 4.9256 6.6551 109.7598 45.8242 0.0000 173.5017 37 L 5.2107 7.9470 124.9341 52.9291 46.1039 174.1078 38 I 4.6512 8.5480 124.5834 60.0044 39.6955 173.9185 39 C 5.1193 9.2948 128.3883 58.0421 30.9092 172.9026 40 F 5.1234 9.5146 124.1711 56.0463 40.4691 174.8021 41 L 5.0898 9.4395 127.6232 53.3812 44.0863 175.1569 42 G 4.4538 9.6770 115.6708 45.5342 0.0000 172.1076 43 I 4.8488 8.6974 125.4852 58.7928 38.2676 174.0284 44 H 3.5598 9.0134 128.9518 56.5482 30.4618 176.7474 45 K 3.9976 8.0992 124.7610 57.1382 31.7468 178.0895 46 N 4.7876 8.2694 112.5711 53.3501 38.7274 174.8161 47 D 4.5341 7.5101 119.7488 54.7909 41.0105 177.1046 48 T 4.6076 8.3730 114.8652 60.1189 72.0505 175.7021 49 W 4.4436 8.9079 129.5190 60.3135 30.5928 176.9130 50 E 3.9389 8.5494 118.4339 59.9201 28.8345 178.5639 51 D 4.3146 7.8599 118.1292 57.5655 41.1157 178.6821 52 A 3.8523 7.6092 120.6907 55.4186 18.1447 179.5489 53 L 3.3785 7.4275 118.5536 57.9757 42.0049 178.2041 54 Y 3.8707 8.3421 119.8958 60.8365 38.5751 178.2067 55 I 3.7391 8.1815 120.7614 64.5500 37.3052 178.0607 56 I 2.8541 7.7670 120.7180 64.3116 36.8884 178.1241 57 R 3.7257 8.2942 119.3752 59.6078 29.9910 178.6599 58 K 3.8720 8.0428 118.2730 59.4333 31.7342 179.1355 59 C 4.1757 8.1794 116.4087 63.0848 27.5409 175.9848 60 L 4.1385 8.0248 119.8695 56.9585 40.9897 178.3432 61 N 4.8476 7.6365 112.8006 52.7109 39.9247 174.9224 62 L 4.0030 7.6811 119.5786 54.7662 41.7306 177.6384 63 R 4.4062 8.5901 123.5370 55.7216 28.7601 176.1122 64 L 5.0690 8.4397 121.1434 53.8334 44.5611 176.3415 65 W 4.7288 8.4084 119.8266 54.7644 31.3595 175.1980 66 N 4.7653 8.6275 122.1848 52.9082 39.1403 174.3895 67 N 4.5011 9.0415 124.1912 53.5686 37.9332 176.0477 68 D 4.1252 6.9839 128.8279 53.5742 38.5667 174.5253 69 N 4.4261 6.7487 129.5650 54.7187 40.3860 174.0313 70 K 4.4095 7.2487 116.2866 53.2197 33.4346 178.7744 71 T 3.8888 8.3091 114.1442 61.1279 69.5989 174.0300 72 W 3.7342 7.6851 121.3562 57.5218 26.2209 173.6794 73 D 4.7306 8.0801 117.5027 55.3471 42.7338 175.7507 74 K 4.8468 8.1814 118.5417 54.6538 34.6259 175.8719 75 N 5.9657 8.2902 118.6290 51.5653 40.1306 174.7710 76 V 3.4246 7.9363 113.2863 66.6925 32.1700 179.6392 77 K 3.6450 8.1564 118.8697 59.6165 32.1288 178.9006 78 D 4.3115 8.1834 116.9307 57.3132 40.6424 177.9789 79 L 4.0486 7.1801 114.6773 53.3866 42.0438 176.4360 80 N 4.3145 7.7803 115.2202 53.2131 35.7408 171.6808 81 Y 5.2905 8.4029 116.5404 56.2383 42.0522 175.1599 82 E 5.0985 8.7173 118.1492 55.0492 32.5964 175.5664 83 L 4.9352 9.0911 122.3371 52.9178 44.8036 175.2998 84 L 4.6012 9.5270 127.8147 54.1419 43.6661 175.2116 85 I 4.9975 7.9815 126.6773 59.4641 40.0626 175.1692 86 V 4.4758 8.9372 126.9584 60.8543 34.4892 174.5602 87 S 4.7995 8.7486 123.2198 58.7953 63.1436 174.4111 88 Q 4.7113 9.2715 125.3104 53.9890 29.6300 175.4904 89 F 4.4873 8.9522 118.0039 59.1656 38.7251 178.4511 90 T 3.8373 7.0342 111.3708 63.8176 68.7975 176.3111 91 L 3.9838 7.8699 122.0441 57.1453 41.5709 177.5020 92 F 4.7346 8.2598 117.4138 57.0273 39.2564 175.5955 93 G 3.3415 7.9939 110.9260 45.3931 0.0000 173.6305 94 N 4.5822 8.8390 124.5996 52.5762 38.6283 175.1574 95 T 4.4085 8.2455 118.2747 62.2866 70.1733 177.5540 96 K 3.8093 8.3138 126.3255 58.4022 31.8295 184.3173 97 K 4.1851 8.2659 119.8818 55.2280 32.4860 180.0425 98 G 4.1831 6.2814 106.7012 46.7975 0.0000 173.2099 99 N 4.4927 8.5256 118.1775 53.5598 39.8045 174.7485 100 K 4.2558 7.7799 119.1119 53.8545 31.6327 174.1986 101 P 4.4866 0.0000 0.0000 61.9796 32.0664 175.4571 102 D 4.8250 7.9907 118.5353 51.7353 42.1860 175.9239 103 F 5.4178 8.2181 116.9139 56.6222 40.1820 177.2038 104 H 4.0703 8.7317 120.8651 59.1873 28.6554 176.5780 105 L 4.0166 8.0590 118.0448 55.7798 42.2061 175.0839 106 A 4.3224 7.6054 120.1212 50.4191 20.4440 177.1621 107 K 3.7372 8.7634 124.3638 56.7265 32.9646 176.1596 108 E 3.9921 9.0853 127.8957 56.2884 30.1971 175.7169 109 P 4.4130 0.0000 0.0000 66.6139 31.1138 178.1357 110 N 4.3042 8.0485 115.5868 55.6065 38.6177 177.4183 111 E 4.0441 8.5552 119.8580 59.0515 29.3724 179.1924 112 A 4.1583 8.1793 121.1506 54.9583 18.2467 179.3096 113 L 3.3713 7.5052 118.2618 58.2299 42.4180 178.8740 114 I 3.8224 7.6476 119.5796 64.6037 36.9050 177.9434 115 F 4.1451 8.6904 121.2575 61.6199 39.1140 176.5787 116 Y 4.3283 9.3321 120.2082 60.9056 38.6592 177.7792 117 N 4.4026 8.4468 119.5068 57.1833 38.8928 177.9155 118 K 3.8814 8.2447 124.3115 60.1141 31.4454 180.9453 119 I 3.9711 7.5466 119.7431 64.5075 37.2584 178.1285 120 I 3.7648 7.7348 120.8718 64.8712 36.9946 178.0768 121 D 4.4022 8.1717 119.1570 57.4557 40.5982 178.5265 122 E 4.0895 8.2564 119.4085 59.2358 29.4040 178.6093 123 F 4.1775 8.3765 117.4879 60.7701 39.2947 177.5900 124 K 4.2206 8.0946 117.4268 59.3705 31.6838 179.3983 125 K 4.0048 8.4526 119.2493 59.3504 32.1788 178.1982 126 Q 4.3776 8.3725 116.8780 56.9419 29.1715 175.1187 127 Y 4.8162 8.0927 117.6264 56.3358 40.8493 174.1375 128 N 4.1884 8.1543 110.8623 52.7716 42.4478 174.7048 129 D 4.3904 9.0396 126.1752 56.5076 39.5598 177.6070 130 D 4.4154 8.3746 119.2837 56.8898 41.0296 177.1155 131 K 4.4903 7.9851 117.2023 56.2767 33.2707 176.7154 132 I 5.0452 7.3794 121.1030 58.3749 37.5215 175.1628 133 K 4.4492 8.1552 125.4569 55.9234 34.1740 175.5264 134 I 4.9767 8.1188 114.7446 59.3851 40.8824 174.1854 135 G 4.2526 8.2750 107.2587 44.4025 0.0000 173.7076 136 K 4.3072 8.8846 120.7632 56.0612 30.9892 178.1696 137 F 3.5456 8.4941 125.5106 61.2821 39.9046 177.2232 138 G 3.8640 8.2679 108.7847 48.7651 0.0000 173.5629 139 N 4.5784 7.5288 116.8308 51.8895 39.2249 174.7446 140 Y 4.0689 8.6217 121.5374 58.7878 39.1976 175.5626 141 M 4.7749 7.6022 125.3615 53.3805 35.6306 174.2215 142 N 4.6542 9.4064 122.5235 52.2771 40.9441 173.6580 143 I 4.9340 8.2041 126.3714 59.4637 40.1394 174.8584 144 D 4.6035 8.6080 129.0163 53.9406 41.5914 175.9252 145 V 4.6951 8.4328 123.5091 61.2566 34.6119 174.7668 146 T 4.5072 8.5021 124.3076 62.0396 70.1044 173.4119 147 N 4.9800 8.7439 125.0220 52.8737 39.2780 175.2029 148 D 4.3134 9.9933 125.5262 54.7150 40.7498 174.6266 149 G 3.6341 8.7456 115.5735 44.5422 0.0000 171.6305 150 P 4.6144 0.0000 0.0000 60.2049 33.3857 175.0515 151 V 4.4422 8.1005 116.6888 61.6314 34.2596 174.1717 152 T 5.1753 8.7006 124.2990 61.8732 71.3026 173.4273 153 I 4.5822 9.1796 127.6309 59.5423 40.2389 173.9566 154 Y 5.1794 8.6439 126.7198 55.8723 41.1602 174.4933 155 I 4.3413 7.8345 126.7780 59.5448 40.8377 174.2911 156 D 5.0472 8.1529 124.7222 51.9270 41.6482 175.4258 157 T 3.4396 8.4292 114.7751 63.9877 69.2937 175.1613 158 H 4.6108 7.6461 119.3692 54.6661 27.0727 175.0898 159 D 4.2731 7.3579 122.5460 54.7397 41.7668 175.9865 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 1 M 8.16 5.10 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.33 4.84 0.00 1.37 1.65 0.00 2.21 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 3 V 8.33 5.57 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 0.76 0.00 0.00 1.08 0.00 0.00 4 V 8.75 4.90 2.28 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 1.14 0.00 0.00 1.12 0.00 0.00 5 I 9.02 5.01 1.89 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 1.26 0.85 0.91 0.00 0.00 6 Q 8.85 5.76 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 7 R 8.58 4.59 0.00 1.70 1.72 0.00 2.21 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.11 0.00 8 V 8.57 5.08 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.06 0.00 0.00 9 K 8.80 4.35 0.00 1.65 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.40 7.81 10 G 7.62 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.71 5.25 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 12 I 8.19 4.25 1.88 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 1.23 0.65 0.92 0.00 0.00 13 L 8.76 4.92 0.00 1.68 1.68 0.96 0.92 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 14 S 9.37 5.23 0.00 3.75 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 15 V 8.44 4.12 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 0.69 0.00 0.00 0.97 0.00 0.00 *28 E 7.95 4.08 0.00 2.19 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 0.00 2.28 2.37 0.00 29 I 8.44 3.88 1.88 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 1.48 0.54 0.92 0.00 0.00 30 I 8.44 4.48 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 1.24 0.55 1.01 0.00 0.00 31 S 7.67 4.80 0.00 3.79 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 32 E 8.17 5.30 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 33 I 8.59 5.11 1.85 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 1.06 1.48 0.89 0.00 0.00 34 K 8.68 4.49 0.00 1.64 0.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.25 7.81 35 N 8.81 4.86 0.00 1.44 1.42 0.00 0.00 6.64 7.66 0.00 0.00 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 G 6.66 4.93 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 37 L 7.95 5.21 0.00 1.61 1.54 1.04 0.51 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 38 I 8.55 4.65 1.75 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 0.08 0.92 0.94 0.00 0.00 39 C 9.29 5.12 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.51 5.12 0.00 2.96 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 41 L 9.44 5.09 0.00 1.85 1.80 1.22 1.06 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 42 G 9.68 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 0.00 0.00 0.00 0.00 43 I 8.70 4.85 2.03 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.17 1.15 0.00 0.00 44 H 9.01 3.56 0.00 2.92 3.32 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.10 4.00 0.00 1.80 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.28 7.81 46 N 8.27 4.79 0.00 2.56 2.82 0.00 0.00 6.94 8.06 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 47 D 7.51 4.53 0.00 2.54 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 48 T 8.37 4.61 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 1.26 0.00 0.00 49 W 8.91 4.44 0.00 3.49 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.55 3.94 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 51 D 7.86 4.31 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.61 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.43 3.38 0.00 1.39 1.51 0.53 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.34 3.87 0.00 3.11 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 55 I 8.18 3.74 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.89 1.02 0.00 0.00 56 I 7.77 2.85 1.48 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.21 0.36 0.00 0.00 57 R 8.29 3.73 0.00 1.79 1.77 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 58 K 8.04 3.87 0.00 1.91 1.79 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.45 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.91 1.40 7.81 59 C 8.18 4.18 0.00 3.45 3.18 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 60 L 8.02 4.14 0.00 1.68 1.63 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.64 4.85 0.00 2.73 2.79 0.00 0.00 7.05 8.59 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 62 L 7.68 4.00 0.00 1.71 1.63 0.92 0.76 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 63 R 8.59 4.41 0.00 2.05 2.12 0.00 3.10 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 64 L 8.44 5.07 0.00 0.75 1.27 0.74 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.41 4.73 0.00 3.50 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 66 N 8.63 4.77 0.00 2.59 2.64 0.00 0.00 6.80 6.92 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 67 N 9.04 4.50 0.00 2.68 2.90 0.00 0.00 7.34 8.25 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 68 D 6.98 4.13 0.00 2.72 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 69 N 6.75 4.43 0.00 2.82 2.68 0.00 0.00 7.15 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 70 K 7.25 4.41 0.00 1.72 1.67 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.41 0.99 7.81 71 T 8.31 3.89 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 1.13 0.00 0.00 72 W 7.69 3.73 0.00 3.46 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 73 D 8.08 4.73 0.00 2.80 2.77 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 74 K 8.18 4.85 0.00 1.91 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.73 7.81 75 N 8.29 5.97 0.00 3.17 3.14 0.00 0.00 5.67 7.68 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 76 V 7.94 3.42 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 1.20 0.00 0.00 1.28 0.00 0.00 77 K 8.16 3.65 0.00 1.74 1.71 0.00 1.67 0.00 0.00 1.36 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 1.13 7.81 78 D 8.18 4.31 0.00 2.83 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 79 L 7.18 4.05 0.00 0.28 0.82 0.66 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.78 4.31 0.00 2.60 2.75 0.00 0.00 6.76 7.36 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 81 Y 8.40 5.29 0.00 2.68 2.77 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 82 E 8.72 5.10 0.00 1.95 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 2.25 2.32 0.00 83 L 9.09 4.94 0.00 1.40 1.35 1.03 0.47 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 84 L 9.53 4.60 0.00 1.55 1.40 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.98 5.00 1.77 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.58 0.87 0.00 0.00 86 V 8.94 4.48 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 1.01 0.00 0.00 0.80 0.00 0.00 87 S 8.75 4.80 0.00 3.60 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.27 4.71 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 89 F 8.95 4.49 0.00 3.33 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 90 T 7.03 3.84 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 0.30 0.00 0.00 91 L 7.87 3.98 0.00 1.76 1.49 1.04 0.85 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 92 F 8.26 4.73 0.00 3.43 3.15 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 93 G 7.99 3.34 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 0.00 94 N 8.84 4.58 0.00 2.73 2.76 0.00 0.00 6.49 6.81 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 95 T 8.25 4.41 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 1.13 0.00 0.00 96 K 8.31 3.81 0.00 1.80 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.02 7.81 97 K 8.27 4.19 0.00 1.77 1.77 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.02 7.81 98 G 6.28 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 0.00 0.00 0.00 0.00 99 N 8.53 4.49 0.00 2.70 2.85 0.00 0.00 6.64 7.61 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 0.00 100 K 7.78 4.26 0.00 1.70 1.73 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 101 P 0.00 4.49 0.00 1.55 1.83 0.00 3.35 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 1.97 1.91 0.00 102 D 7.99 4.82 0.00 2.89 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 0.00 103 F 8.22 5.42 0.00 3.23 3.24 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 0.00 104 H 8.73 4.07 0.00 3.26 3.42 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.06 4.02 0.00 1.77 1.64 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.61 4.32 1.47 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 0.00 107 K 8.76 3.74 0.00 1.86 1.73 0.00 1.77 0.00 0.00 1.35 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.33 7.81 108 E 9.09 3.99 0.00 2.04 1.81 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 2.36 2.26 0.00 109 P 0.00 4.41 0.00 2.31 2.39 0.00 3.70 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 2.05 2.02 0.00 110 N 8.05 4.30 0.00 2.94 2.83 0.00 0.00 7.05 7.45 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 0.00 111 E 8.56 4.04 0.00 2.07 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 2.33 2.44 0.00 112 A 8.18 4.16 1.64 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 0.00 0.00 113 L 7.51 3.37 0.00 0.79 1.58 0.62 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.65 3.82 2.10 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 1.41 1.08 0.96 0.00 0.00 115 F 8.69 4.15 0.00 3.39 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 0.00 116 Y 9.33 4.33 0.00 3.30 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 0.00 117 N 8.45 4.40 0.00 3.04 2.90 0.00 0.00 7.17 7.10 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 0.00 118 K 8.24 3.88 0.00 1.75 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.13 7.81 119 I 7.55 3.97 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.94 0.00 0.00 120 I 7.73 3.76 1.97 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.91 0.00 0.00 121 D 8.17 4.40 0.00 2.81 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 0.00 122 E 8.26 4.09 0.00 2.54 2.19 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 2.56 2.39 0.00 123 F 8.38 4.18 0.00 3.37 3.05 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 0.00 124 K 8.09 4.22 0.00 2.08 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 125 K 8.45 4.00 0.00 1.83 2.07 0.00 1.81 0.00 0.00 2.09 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.37 4.38 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 127 Y 8.09 4.82 0.00 2.92 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 0.00 128 N 8.15 4.19 0.00 2.35 1.75 0.00 0.00 6.63 8.49 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 0.00 129 D 9.04 4.39 0.00 2.78 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 0.00 130 D 8.37 4.42 0.00 2.62 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 0.00 131 K 7.99 4.49 0.00 1.53 1.97 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.99 1.05 7.81 132 I 7.38 5.05 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.80 0.00 0.00 133 K 8.16 4.45 0.00 1.66 1.71 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.57 7.81 134 I 8.12 4.98 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.94 0.00 0.00 135 G 8.27 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 0.00 0.00 0.00 0.00 136 K 8.88 4.31 0.00 1.83 1.85 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.41 7.81 137 F 8.49 3.55 0.00 2.79 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 0.00 138 G 8.27 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.53 4.58 0.00 2.82 2.84 0.00 0.00 7.09 7.34 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 0.00 140 Y 8.62 4.07 0.00 2.95 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 0.00 141 M 7.60 4.77 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 142 N 9.41 4.65 0.00 2.95 2.83 0.00 0.00 6.75 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.20 4.93 1.92 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 1.32 0.75 0.97 0.00 0.00 144 D 8.61 4.60 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.43 4.70 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 0.87 0.00 0.00 0.99 0.00 0.00 146 T 8.50 4.51 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 1.22 0.00 0.00 147 N 8.74 4.98 0.00 2.62 2.77 0.00 0.00 7.04 8.06 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 0.00 148 D 9.99 4.31 0.00 2.80 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 0.00 149 G 8.75 3.63 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 0.00 0.00 0.00 150 P 0.00 4.61 0.00 2.21 2.11 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 151 V 8.10 4.44 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 1.10 0.00 0.00 0.99 0.00 0.00 152 T 8.70 5.18 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 1.31 0.00 0.00 153 I 9.18 4.58 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 0.90 0.00 0.00 154 Y 8.64 5.18 0.00 2.94 2.82 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 0.00 155 I 7.83 4.34 1.78 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 0.95 0.00 0.00 156 D 8.15 5.05 0.00 2.66 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 0.00 157 T 8.43 3.44 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 1.28 0.00 0.00 158 H 7.65 4.61 0.00 3.31 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.36 4.27 0.00 2.75 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.