NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.6979 8.1693 122.7559 55.0972 43.3605 175.7350 3 E 4.7182 8.9048 123.1539 53.9282 33.5907 168.6886 4 V 4.5668 9.5658 123.8616 61.3314 34.3732 175.3994 5 I 4.8155 8.4913 128.8786 59.6295 39.5134 174.6063 6 I 4.8920 9.0661 127.9533 59.4809 40.6832 174.9094 7 K 5.3126 9.0348 124.4586 55.0811 36.9222 175.2471 8 A 5.1619 9.2425 126.4382 50.3347 22.5665 175.4354 9 K 4.6633 8.9924 122.3808 56.5448 34.5853 176.9936 10 V 4.5463 8.8726 122.8222 61.0463 33.3131 175.4731 11 K 4.0803 10.3690 129.0198 55.1596 32.7896 176.7213 12 P 3.9981 0.0000 0.0000 66.1088 31.0766 177.8902 13 T 4.1528 7.5968 104.0911 62.0880 69.1738 174.1866 14 E 4.2988 7.8523 122.3297 55.4188 31.1072 175.1394 15 D 4.6722 8.2167 120.7259 52.5186 41.9841 176.9856 16 K 3.9691 8.5751 127.6910 60.7908 32.0664 178.4456 17 Y 4.4995 7.9757 117.4838 60.6207 37.8133 178.3332 18 K 4.2471 8.3506 119.8418 59.3685 32.1489 179.5769 19 V 3.6724 7.8558 118.1726 65.8050 31.5445 177.6203 20 K 3.2979 8.2774 119.4393 59.5562 31.9301 178.9072 21 K 3.9648 8.4438 118.3134 59.0673 30.3239 179.2918 22 A 4.1949 8.0119 121.3142 55.2946 18.3096 179.4719 23 I 3.6174 7.7297 118.2553 64.7533 36.8174 178.6649 24 L 4.2886 8.1766 119.6557 57.9643 41.2115 179.4838 25 N 4.3728 8.0040 115.6192 55.5191 38.4064 176.4395 26 I 4.0162 6.8018 118.2711 61.2470 39.7378 176.0499 27 F 4.9060 8.1249 118.5346 54.3176 38.9282 173.5580 28 P 4.3589 0.0000 0.0000 64.2166 31.6569 177.6127 29 K 4.3482 7.9395 114.2325 55.9406 32.5361 176.3497 30 A 4.3451 7.7957 122.1117 52.1301 19.1287 177.5014 31 K 4.4259 8.9842 121.7982 55.2864 33.4869 175.9388 32 L 5.4047 8.6085 125.0718 53.2686 44.7807 176.1295 33 T 4.9516 9.2083 111.0506 60.2249 72.3011 172.2941 34 F 4.6109 8.9480 127.9991 56.5803 40.7762 174.4430 35 I 4.1074 7.8105 120.4408 58.8651 39.3609 174.8480 36 E 4.1628 8.3570 126.9183 56.0459 30.3615 176.2529 37 K 4.7652 8.3256 122.3899 54.6933 36.0491 175.6160 38 D 4.5686 8.6392 119.6232 55.0826 41.4226 175.5643 39 N 4.3478 9.6688 114.3625 54.5867 36.1785 175.6831 40 E 3.9620 8.6029 114.6376 56.4444 27.6965 175.0102 41 F 4.2626 8.4557 118.5245 57.7509 40.6154 174.4168 42 G 4.4828 8.9291 107.3085 45.7100 0.0000 170.9385 43 E 5.1920 7.9063 118.6363 54.8062 33.6682 173.6830 44 W 5.3805 9.6733 126.5462 55.5079 31.5034 175.1155 45 E 5.3081 9.2817 123.0218 54.9126 33.0821 175.0967 46 G 4.5679 9.1664 109.5343 45.8574 0.0000 171.8245 47 K 5.6982 8.5142 117.7636 54.8916 37.0202 175.6202 48 T 4.8451 8.1629 115.2213 61.1565 70.8181 174.0693 49 K 4.5399 8.7719 124.0922 56.1787 32.9434 176.2978 50 S 4.7979 8.0320 114.0612 56.6357 64.6816 173.8228 51 V 4.6442 8.2544 118.6856 61.1945 32.7064 177.1576 52 E 3.9509 8.3494 122.5327 59.6736 29.1830 179.3358 53 K 3.8589 7.9607 118.7082 59.2814 32.3358 178.1031 54 L 3.7386 7.8074 120.1022 58.1911 42.0422 178.9189 55 K 3.9073 8.2104 118.2158 59.5277 31.9477 178.8783 56 E 3.9419 8.0903 118.6947 59.7337 29.3845 179.6306 57 L 3.9438 8.0419 118.7309 57.6979 41.5286 179.6350 58 L 3.9850 7.8945 118.9654 57.8161 41.5834 179.8683 59 R 3.8943 7.8861 117.6075 59.2636 29.8215 179.0805 60 S 4.1216 8.0415 113.9897 61.8708 63.0576 176.4683 61 Q 4.0970 8.2497 117.3859 55.4652 29.5965 175.5931 62 S 3.7837 7.9032 114.2765 59.8040 61.2114 171.7067 63 I 4.7091 7.9557 108.1614 60.1363 38.6832 178.1675 64 L 4.0200 8.2843 123.8970 58.7990 41.1521 178.1099 65 D 4.3237 8.1375 117.5081 56.9985 39.2118 178.5080 66 A 4.0671 7.8956 121.2945 53.8340 18.8569 178.9315 67 A 3.6650 8.1298 119.5193 54.7215 18.3880 179.7145 68 R 3.7647 7.5785 113.5454 57.2975 29.7230 178.4831 *70 V 3.7870 7.6311 120.4082 62.8644 33.0443 177.6238 71 L 3.8910 7.4095 118.0133 57.7761 41.6077 178.5962 72 E 4.0817 8.0708 117.3639 59.0955 29.6640 178.2704 73 K 4.0058 8.1350 118.9608 59.1875 32.4560 177.3316 74 G 4.1198 8.0777 109.6898 43.5844 0.0000 173.1094 *76 T 4.3425 7.5493 114.8552 61.5971 70.0860 173.7051 77 E 4.1472 9.1134 120.3484 59.7307 29.7826 179.1056 78 N 5.2039 7.6523 114.7859 52.1306 38.4136 173.3047 79 A 4.7472 7.3979 118.2540 53.2202 23.1380 176.1074 80 T 5.1680 8.8087 112.6152 60.3269 70.9721 172.6558 81 K 4.9011 8.4105 124.1820 55.6419 36.6996 174.5743 82 F 4.7160 7.4476 115.2975 56.8743 41.3940 171.8053 83 Y 5.2677 8.8815 115.5317 56.2546 41.3702 174.8831 84 L 5.1662 9.1579 122.9336 52.6386 44.8615 175.5596 85 N 4.6602 9.6716 123.9812 54.0451 39.6639 175.7300 86 K 4.0912 9.2556 126.9888 59.8247 32.6746 178.9726 87 Q 4.1114 8.2416 117.7284 58.6828 28.6574 178.2615 88 A 4.0959 8.5992 121.8418 55.1471 18.3764 179.5943 89 A 4.4341 7.9491 120.1870 54.8705 18.1687 179.1524 90 Y 4.1038 7.7673 117.0894 60.2069 38.7814 177.2140 91 V 3.9060 7.0878 110.0592 60.9137 31.7078 176.7986 92 G 3.7667 8.2226 107.1116 45.4744 0.0000 173.5924 93 A 4.8919 8.0349 121.7838 50.0196 21.8384 176.3526 94 V 4.2626 8.9228 121.1001 61.5669 32.8539 175.1052 95 N 4.7718 8.0849 125.3974 52.2896 42.1360 174.3710 96 F 5.0009 8.8439 122.9394 57.0952 39.6193 174.7568 97 D 4.7656 8.6357 122.4261 52.5696 41.5775 176.1323 98 I 3.7738 8.5193 127.8671 61.8555 37.3124 175.8559 99 D 4.7717 8.5540 124.6942 52.3868 40.7804 176.7982 100 T 4.1715 8.4334 107.8950 63.6811 68.7094 174.4320 101 H 4.7578 8.6481 119.3387 55.6919 29.1942 175.2157 102 G 3.8454 7.8467 108.4055 43.9713 0.0000 175.6496 103 G 4.0135 8.2183 109.3570 45.3125 0.0000 172.2032 104 I 4.6164 8.6617 118.9859 59.3988 39.4980 175.2845 105 F 4.1925 9.4832 131.1909 57.4893 40.6999 174.2928 106 V 4.2083 7.4415 126.0774 60.4854 34.5748 173.9082 107 K 4.5343 8.2732 128.4843 54.5823 35.0655 174.5340 108 I 4.6059 8.6367 129.5982 59.8623 39.1348 174.5226 109 L 5.0161 8.6966 129.8832 52.9286 43.8607 175.5222 110 A 4.4261 8.4636 129.0535 51.7854 19.4752 176.6796 111 D 4.6081 9.2975 121.0431 53.3232 42.3291 177.2644 112 E 4.0257 8.6917 120.6653 58.9793 29.4231 177.6449 113 N 4.8935 8.0008 114.2988 52.6369 37.8042 174.2509 114 E 4.6878 7.8937 116.6550 55.1809 33.3289 174.8530 115 D 4.8232 8.2934 120.1589 52.3429 42.6057 177.8551 116 I 3.6936 8.2645 129.4799 60.9987 37.9488 177.6506 *118 K 4.2904 8.2220 119.5967 56.1340 34.2502 178.4570 119 I 3.7264 7.8898 119.4987 64.4286 36.8681 178.4451 120 I 3.6999 7.8170 120.5232 64.5189 36.8395 178.7484 121 K 3.9619 7.9795 118.6936 59.3543 31.6902 178.7498 122 D 4.3867 7.9563 117.6712 56.8751 41.1705 178.0498 123 I 4.0448 7.5727 119.6782 62.7281 38.7423 176.2692 124 A 4.6919 7.8562 120.2447 49.1429 18.6183 174.0447 125 P 4.9253 0.0000 0.0000 61.5803 31.3658 176.9345 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 2 L 8.17 4.70 0.00 1.94 1.65 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.90 4.72 0.00 1.99 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 2.16 2.29 0.00 4 V 9.57 4.57 1.79 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 0.37 0.00 0.00 0.88 0.00 0.00 5 I 8.49 4.82 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.37 0.95 0.00 0.00 6 I 9.07 4.89 1.88 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.73 0.92 0.00 0.00 7 K 9.03 5.31 0.00 1.89 1.74 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.57 7.81 8 A 9.24 5.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.99 4.66 0.00 1.92 1.91 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.57 7.81 10 V 8.87 4.55 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.16 0.00 0.00 11 K 10.37 4.08 0.00 1.63 1.44 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.65 7.81 12 P 0.00 4.00 0.00 1.76 1.94 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.00 13 T 7.60 4.15 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 1.16 0.00 0.00 14 E 7.85 4.30 0.00 2.24 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 2.20 2.20 0.00 15 D 8.22 4.67 0.00 2.64 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 16 K 8.58 3.97 0.00 1.42 1.50 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.71 0.21 7.81 17 Y 7.98 4.50 0.00 3.32 3.06 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 18 K 8.35 4.25 0.00 1.93 1.62 0.00 1.51 0.00 0.00 1.15 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.50 7.81 19 V 7.86 3.67 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 1.27 0.00 0.00 1.08 0.00 0.00 20 K 8.28 3.30 0.00 1.43 1.98 0.00 1.45 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.13 0.51 7.81 21 K 8.44 3.96 0.00 2.09 1.83 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.95 7.81 22 A 8.01 4.19 1.61 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 23 I 7.73 3.62 1.95 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 1.75 0.68 0.98 0.00 0.00 24 L 8.18 4.29 0.00 1.63 1.69 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.00 4.37 0.00 2.91 2.80 0.00 0.00 6.93 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 6.80 4.02 1.45 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 0.11 0.00 0.00 27 F 8.12 4.91 0.00 2.99 2.90 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 28 P 0.00 4.36 0.00 2.03 2.11 0.00 3.72 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.25 0.00 29 K 7.94 4.35 0.00 1.78 1.86 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 30 A 7.80 4.35 1.32 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 0.00 0.00 31 K 8.98 4.43 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 32 L 8.61 5.40 0.00 1.42 1.72 0.46 0.89 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 33 T 9.21 4.95 4.34 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 1.32 0.00 0.00 34 F 8.95 4.61 0.00 1.51 2.57 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 0.00 35 I 7.81 4.11 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.39 0.79 0.00 0.00 36 E 8.36 4.16 0.00 1.79 1.87 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 2.51 2.40 0.00 37 K 8.33 4.77 0.00 1.64 1.68 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.23 7.81 38 D 8.64 4.57 0.00 2.68 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 39 N 9.67 4.35 0.00 3.07 3.05 0.00 0.00 7.03 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 40 E 8.60 3.96 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 41 F 8.46 4.26 0.00 3.13 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 42 G 8.93 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 43 E 7.91 5.19 0.00 1.98 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 44 W 9.67 5.38 0.00 3.51 3.10 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 0.00 0.00 0.00 45 E 9.28 5.31 0.00 1.96 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 2.23 0.00 46 G 9.17 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 0.00 0.00 0.00 0.00 47 K 8.51 5.70 0.00 1.61 1.61 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.21 7.81 48 T 8.16 4.85 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 1.17 0.00 0.00 49 K 8.77 4.54 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.35 7.81 50 S 8.03 4.80 0.00 3.83 3.75 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 51 V 8.25 4.64 2.22 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 0.90 0.00 0.00 0.99 0.00 0.00 52 E 8.35 3.95 0.00 2.04 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 2.35 2.36 0.00 53 K 7.96 3.86 0.00 1.81 1.90 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.43 7.81 54 L 7.81 3.74 0.00 1.56 1.88 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.21 3.91 0.00 1.97 1.85 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.77 7.81 56 E 8.09 3.94 0.00 2.17 1.98 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 2.32 2.54 0.00 57 L 8.04 3.94 0.00 1.73 1.63 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.89 3.98 0.00 1.84 1.73 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.89 3.89 0.00 2.02 1.96 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 60 S 8.04 4.12 0.00 3.93 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 61 Q 8.25 4.10 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 62 S 7.90 3.78 0.00 3.98 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 63 I 7.96 4.71 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 1.00 0.00 0.00 64 L 8.28 4.02 0.00 1.71 1.76 0.92 0.97 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 65 D 8.14 4.32 0.00 2.82 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 66 A 7.90 4.07 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 67 A 8.13 3.66 1.50 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 0.00 0.00 68 R 7.58 3.76 0.00 2.14 1.89 0.00 3.44 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 *70 V 7.63 3.79 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 0.00 0.00 0.41 0.00 0.00 0.45 0.00 0.00 71 L 7.41 3.89 0.00 1.55 1.63 0.84 0.21 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 72 E 8.07 4.08 0.00 1.98 1.98 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 2.31 2.34 0.00 73 K 8.13 4.01 0.00 1.68 1.94 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 74 G 8.08 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 0.00 0.00 0.00 0.00 *76 T 7.55 4.34 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 77 E 9.11 4.15 0.00 1.95 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 0.00 2.30 2.27 0.00 78 N 7.65 5.20 0.00 2.74 2.92 0.00 0.00 5.93 7.75 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 79 A 7.40 4.75 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 80 T 8.81 5.17 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 1.34 0.00 0.00 81 K 8.41 4.90 0.00 1.36 1.59 0.00 1.86 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.49 7.81 82 F 7.45 4.72 0.00 3.24 3.12 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 0.00 83 Y 8.88 5.27 0.00 3.10 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 84 L 9.16 5.17 0.00 1.67 1.62 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.67 4.66 0.00 3.03 2.72 0.00 0.00 6.56 5.85 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 86 K 9.26 4.09 0.00 2.06 2.12 0.00 1.89 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.63 7.81 87 Q 8.24 4.11 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 88 A 8.60 4.10 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 89 A 7.95 4.43 1.49 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 0.00 0.00 90 Y 7.77 4.10 0.00 3.11 3.30 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 91 V 7.09 3.91 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 0.77 0.00 0.00 1.02 0.00 0.00 92 G 8.22 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 93 A 8.03 4.89 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 94 V 8.92 4.26 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 0.15 0.00 0.00 0.77 0.00 0.00 95 N 8.08 4.77 0.00 2.69 2.54 0.00 0.00 7.20 7.71 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 96 F 8.84 5.00 0.00 3.17 3.11 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 0.00 97 D 8.64 4.77 0.00 2.69 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 98 I 8.52 3.77 1.86 0.00 0.00 0.41 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 0.70 0.88 0.00 0.00 99 D 8.55 4.77 0.00 2.88 3.09 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 0.00 100 T 8.43 4.17 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 1.23 0.00 0.00 101 H 8.65 4.76 0.00 3.38 3.47 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.85 3.85 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 0.00 0.00 0.00 103 G 8.22 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 0.00 104 I 8.66 4.62 2.02 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 1.26 0.97 1.04 0.00 0.00 105 F 9.48 4.19 0.00 3.19 3.11 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 0.00 106 V 7.44 4.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.81 0.00 0.00 107 K 8.27 4.53 0.00 1.43 1.44 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.29 7.81 108 I 8.64 4.61 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.94 0.00 0.00 109 L 8.70 5.02 0.00 1.71 1.63 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.46 4.43 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 0.00 111 D 9.30 4.61 0.00 2.83 2.57 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 0.00 112 E 8.69 4.03 0.00 2.00 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 0.00 2.32 2.30 0.00 113 N 8.00 4.89 0.00 2.82 2.89 0.00 0.00 5.80 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 0.00 114 E 7.89 4.69 0.00 2.18 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 2.23 2.20 0.00 115 D 8.29 4.82 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.26 3.69 1.88 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 1.43 1.52 0.96 0.00 0.00 *118 K 8.22 4.29 0.00 2.05 1.88 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 119 I 7.89 3.73 2.05 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 1.80 0.92 0.94 0.00 0.00 120 I 7.82 3.70 1.86 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 1.79 0.93 0.87 0.00 0.00 121 K 7.98 3.96 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 122 D 7.96 4.39 0.00 2.76 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 0.00 123 I 7.57 4.04 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.93 0.00 0.00 124 A 7.86 4.69 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 0.00 125 P 0.00 4.93 0.00 2.04 2.00 0.00 3.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.