NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1586 8.0249 121.4530 60.1585 38.4310 175.2485 6 P 4.1119 0.0000 0.0000 62.4231 31.7578 176.8126 7 K 4.0686 8.5327 124.3883 57.4173 32.7713 176.2835 8 I 3.8473 7.5958 110.1311 62.9391 37.7951 175.9795 9 I 3.9591 7.2714 123.4250 59.9029 37.0633 174.6949 10 P 4.5519 0.0000 0.0000 61.6781 33.4976 175.2383 11 P 4.2486 0.0000 0.0000 65.8994 31.2257 178.4973 12 E 3.9528 8.1760 117.5241 59.2383 29.4608 178.5258 13 L 4.0152 7.8546 119.9572 57.7244 42.2729 178.2788 14 L 3.9362 8.0143 120.4848 58.0257 41.9863 178.8713 15 K 3.9092 8.1563 119.3927 59.5220 31.9340 178.6945 16 V 3.9583 7.6656 117.0257 66.3757 31.5325 177.7023 17 L 4.2921 8.0621 117.3982 58.0702 41.5004 179.0504 18 C 4.3140 8.0308 116.0113 62.1810 29.1193 175.3402 19 E 4.2758 8.0382 121.0889 56.7220 27.0805 175.3743 *21 G 3.5717 7.7360 108.2335 45.3178 0.0000 170.0122 22 H 4.3749 8.4374 119.4918 58.1739 29.7600 176.0202 23 G 3.9298 8.8166 116.7157 45.0664 0.0000 173.2732 24 D 4.5901 8.0094 119.9887 54.5087 42.0901 175.4724 25 Q 5.4647 8.7583 119.9900 54.0779 32.5192 174.4212 26 L 5.2613 8.9060 121.7730 53.9718 44.5674 175.1400 27 V 4.6032 8.5227 120.2679 61.2663 34.0737 174.5197 28 I 4.4663 8.9509 129.5003 60.1564 38.1539 174.4288 29 A 4.4738 8.6803 130.6806 50.3222 20.8894 176.7435 30 D 4.8457 8.5637 121.9136 52.4518 41.2250 177.4485 31 G 3.6882 8.9319 107.7131 48.5515 0.0000 174.5454 32 N 4.6117 7.9378 115.4255 53.8622 39.1362 175.4540 33 F 4.3577 7.9836 121.5579 57.4251 40.4172 174.1503 34 P 4.4539 0.0000 0.0000 61.7823 29.8346 176.4745 35 A 4.3372 8.1145 128.0970 56.1721 18.6798 179.1169 36 E 3.9534 8.0739 115.8961 59.3226 29.8546 179.3199 37 S 4.2217 7.8665 113.8499 61.5742 63.1480 176.3022 38 I 3.8063 7.5087 122.7519 63.4153 37.0112 177.1409 39 G 4.0749 8.2921 110.0468 46.0541 0.0000 176.4956 40 K 3.9054 7.7827 124.1508 56.7374 31.7072 180.7214 41 N 4.8402 8.1189 112.6160 52.9572 38.7437 173.4394 42 A 4.7563 7.8105 120.8423 50.1834 22.7801 175.5837 43 I 4.0938 7.9079 118.3788 60.3218 38.6051 175.6386 44 V 4.6150 8.3377 127.7042 61.3019 32.9066 174.7561 45 V 4.3394 8.5111 128.7180 61.3156 33.2643 175.7705 46 R 4.4779 8.4844 126.8263 56.0193 31.0289 175.9817 *48 D 4.5712 8.6685 118.6740 53.9943 43.4550 177.4211 49 G 4.0942 8.0626 103.1503 46.1842 0.0000 173.4380 50 H 5.2921 8.0020 117.1346 53.3099 32.4947 173.5497 51 G 4.4111 9.2329 109.9225 43.5713 0.0000 175.5750 52 G 3.9868 8.7891 109.2155 47.0491 0.0000 176.4129 53 G 3.8302 8.2309 108.0502 47.7340 0.0000 175.4836 54 E 4.0676 8.2117 120.3203 58.8436 29.5246 179.1789 55 I 3.6561 7.7204 120.3879 64.0400 37.2357 177.9458 56 L 3.7943 8.1273 121.4479 58.0077 41.6642 178.6498 57 K 3.8556 8.1988 118.3380 59.6785 32.3643 178.1660 58 A 4.1364 7.8819 120.3718 55.2998 18.3195 179.6201 59 I 3.6372 7.9191 118.5499 64.5369 36.9614 178.4951 60 L 4.1591 7.8715 118.2143 56.9556 41.5094 179.0669 61 T 4.1385 7.6513 108.9431 63.7229 68.8566 175.2420 62 V 4.3106 7.8215 111.7170 60.3613 33.4433 174.9615 63 F 4.6479 8.0205 121.9898 55.2415 40.7646 172.2925 64 P 4.5336 0.0000 0.0000 62.5281 32.5901 175.5764 65 L 4.7627 8.4494 122.8833 54.0966 42.7412 176.2336 66 D 4.5616 8.6771 123.7794 55.1065 41.2442 176.2912 67 T 4.4111 8.8965 114.8619 62.3464 69.6589 174.8546 68 Y 4.2196 8.7558 119.4570 59.0102 38.3114 175.5515 69 V 4.6420 7.3825 112.1874 59.2206 35.3991 175.4555 70 D 4.5350 8.6906 121.8142 56.7875 40.9974 175.9817 71 K 4.8174 7.5566 117.7429 53.6950 32.5430 173.8125 72 P 4.5609 0.0000 0.0000 63.9042 33.0850 175.9427 73 A 5.2894 8.0880 123.6101 50.5234 21.7139 175.6881 74 T 5.0022 8.9144 118.3615 60.7612 72.4065 172.4319 75 L 5.1157 8.9416 126.7010 54.6047 42.9001 179.2962 *77 E 4.3365 8.8718 125.7552 56.6067 30.2661 175.4966 78 K 3.1232 8.1704 121.1311 55.7020 32.9005 177.5426 79 V 3.7767 8.3569 115.5525 61.1228 32.0885 175.7170 80 P 4.2255 0.0000 0.0000 65.8933 31.2624 177.8613 81 G 3.6681 7.9898 104.8054 47.0673 0.0000 172.7891 82 D 4.5314 8.2820 121.0105 53.9957 41.3214 175.5513 83 T 4.4112 8.3718 120.1150 61.3446 67.7494 174.4492 84 V 3.6252 7.7173 119.3684 61.9021 31.6655 176.0234 85 A 3.9933 8.3164 124.7462 52.6386 19.5885 177.9272 86 T 4.3291 7.6533 109.5005 58.9425 68.4543 173.2083 87 P 4.1906 0.0000 0.0000 66.7082 31.5797 178.2007 88 I 3.5496 7.5463 117.5546 63.2701 37.7515 177.6404 89 W 4.4501 8.1623 120.3062 59.9874 28.8203 178.0833 90 D 4.4394 8.1711 118.4179 56.9567 40.3776 178.6955 91 V 3.5970 7.5750 118.7312 66.2823 31.0553 177.5527 92 Y 4.4600 8.3351 116.4730 61.2677 37.6846 178.5568 93 A 4.1983 8.5185 121.8646 55.2528 18.0829 179.8364 94 G 3.6311 8.3497 104.1286 48.1400 0.0000 175.9500 95 L 4.1266 7.9378 120.3972 57.4289 41.8229 179.3881 96 I 3.9252 8.1142 120.0633 64.2437 36.2488 178.2124 97 K 4.0735 8.4265 120.7416 59.7507 31.6807 178.5080 98 E 4.2006 7.8587 117.5183 58.8415 29.3767 177.4191 99 H 4.7719 7.5511 114.1683 55.6223 31.1103 173.8342 100 D 4.6282 8.5079 119.2105 52.1669 43.2603 175.4203 101 E 4.0419 9.0220 128.1030 58.9088 30.0328 178.1066 102 R 4.0701 8.6292 118.0548 57.3902 31.4711 178.5291 103 G 3.7403 8.2698 106.9941 45.8539 0.0000 176.2945 104 A 3.9874 8.8077 126.3312 55.1132 18.0998 179.6016 105 D 4.4175 8.1489 114.3559 56.7711 41.1453 177.1856 106 A 4.4527 8.1672 120.7844 52.1317 18.7759 176.4848 107 I 4.6402 7.5616 117.7551 59.5655 38.5555 175.4557 108 G 4.3947 8.8482 115.0687 44.9999 0.0000 171.8284 109 S 5.8028 8.1395 112.2040 57.3068 66.0251 173.5271 110 L 4.9016 8.2956 119.3293 52.6229 45.6231 176.0743 111 E 3.9331 9.0428 123.0825 56.7862 30.6093 177.3060 112 R 3.5316 9.0010 125.4666 60.0959 30.0689 178.7718 113 F 4.1941 8.6364 116.3836 60.3122 39.0606 177.5397 114 A 4.1380 8.5777 120.7056 54.9374 18.0389 179.4918 115 F 3.9531 8.6964 119.7561 61.6754 39.5392 176.8824 116 Y 4.6566 8.0482 116.3834 61.4685 37.4654 178.6706 117 E 4.0776 8.1854 118.2591 59.3856 29.8309 178.9156 118 Q 4.0418 8.3087 119.4108 59.1712 29.1667 178.0052 119 A 3.9418 8.2391 122.1030 55.1985 18.1725 179.5885 120 K 4.2819 8.0166 115.6114 58.7712 32.1689 178.0857 121 N 4.7031 7.9114 114.7662 52.2704 39.3777 175.2295 122 A 4.2259 7.1915 124.0745 52.0668 19.3677 177.1906 123 Y 4.3358 8.9474 122.7718 60.5139 40.1731 175.4459 124 C 5.1452 7.9767 118.1832 57.7333 35.6418 172.7118 125 V 4.6653 8.7960 125.7456 61.2079 33.8731 174.0888 126 I 4.6296 8.9640 129.3231 59.9055 38.6713 175.1123 127 A 4.6677 8.8943 131.5661 51.0926 17.9751 176.9823 128 S 4.4190 8.8184 116.9078 58.1503 65.1495 174.3968 129 G 4.3723 8.3716 104.3418 45.2074 0.0000 173.6020 130 E 4.2582 8.5079 123.2510 56.5453 30.0166 177.6750 131 S 4.4680 8.7931 120.0184 58.1124 64.4161 174.3509 132 A 4.0478 8.7411 124.9721 52.0858 18.6231 177.2822 133 Q 3.6855 8.3911 119.6005 57.3176 29.6354 176.6685 134 Y 3.6049 7.8152 120.4229 59.3012 35.0088 170.2812 135 A 4.7918 7.6901 118.8880 52.2686 20.5857 177.5538 136 N 4.7405 8.0167 113.8826 53.2720 39.5323 174.5356 137 L 4.9314 9.0282 124.6627 53.7592 45.9043 174.6201 138 I 4.7076 8.9391 127.6259 59.9356 39.2485 174.6377 139 L 5.1987 8.9375 126.4255 52.8953 45.1832 175.0409 140 Q 5.1131 8.8479 124.3025 54.1312 31.5514 174.4740 141 K 3.8623 9.2465 128.7014 56.3455 33.4922 176.5963 142 G 4.2786 8.0954 115.0227 45.1277 0.0000 172.9316 143 V 3.7168 7.8919 119.3786 61.4672 32.6214 176.3663 144 V 4.0184 7.6690 125.3355 61.2955 32.3585 175.7514 145 F 4.3966 8.7025 124.9365 57.8080 38.9160 175.5480 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 I 8.02 4.16 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 1.43 1.08 0.92 0.00 0.00 6 P 0.00 4.11 0.00 2.25 1.98 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 7 K 8.53 4.07 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 8 I 7.60 3.85 1.63 0.00 0.00 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 1.30 1.15 0.86 0.00 0.00 9 I 7.27 3.96 1.98 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 1.33 0.52 0.91 0.00 0.00 10 P 0.00 4.55 0.00 2.27 2.19 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 11 P 0.00 4.25 0.00 2.18 2.16 0.00 3.61 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 2.16 0.00 12 E 8.18 3.95 0.00 2.03 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 2.38 2.38 0.00 13 L 7.85 4.02 0.00 1.80 1.79 0.92 0.51 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 14 L 8.01 3.94 0.00 1.82 1.85 0.94 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.16 3.91 0.00 1.90 2.00 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.48 7.81 16 V 7.67 3.96 2.30 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 1.07 0.00 0.00 1.01 0.00 0.00 17 L 8.06 4.29 0.00 1.84 1.85 0.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.03 4.31 0.00 3.11 2.99 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 19 E 8.04 4.28 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 *21 G 7.74 3.57 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 22 H 8.44 4.37 0.00 2.86 3.03 0.00 5.71 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 23 G 8.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.01 4.59 0.00 2.71 2.58 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 0.00 0.00 0.00 25 Q 8.76 5.46 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 26 L 8.91 5.26 0.00 1.77 1.73 0.65 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.52 4.60 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 0.68 0.00 0.00 0.85 0.00 0.00 28 I 8.95 4.47 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.41 0.88 0.00 0.00 29 A 8.68 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.56 4.85 0.00 3.06 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 31 G 8.93 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.94 4.61 0.00 2.82 2.90 0.00 0.00 6.97 7.73 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 33 F 7.98 4.36 0.00 3.23 3.08 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 34 P 0.00 4.45 0.00 1.92 1.92 0.00 2.42 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 1.06 1.25 0.00 35 A 8.11 4.34 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 36 E 8.07 3.95 0.00 1.94 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 2.33 2.31 0.00 37 S 7.87 4.22 0.00 3.97 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 38 I 7.51 3.81 2.08 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.30 1.16 0.00 0.00 39 G 8.29 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.78 3.91 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.29 7.81 41 N 8.12 4.84 0.00 2.68 2.83 0.00 0.00 6.62 7.35 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 42 A 7.81 4.76 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 43 I 7.91 4.09 1.63 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.31 0.84 0.00 0.00 44 V 8.34 4.62 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 0.86 0.00 0.00 0.98 0.00 0.00 45 V 8.51 4.34 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 1.00 0.00 0.00 0.92 0.00 0.00 46 R 8.48 4.48 0.00 1.75 2.09 0.00 3.47 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *48 D 8.67 4.57 0.00 2.62 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.06 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 0.00 0.00 0.00 0.00 50 H 8.00 5.29 0.00 3.17 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.23 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.79 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 53 G 8.23 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 54 E 8.21 4.07 0.00 2.22 2.26 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 2.60 2.42 0.00 55 I 7.72 3.66 2.00 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 1.38 0.72 0.85 0.00 0.00 56 L 8.13 3.79 0.00 1.65 1.84 0.73 0.67 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 57 K 8.20 3.86 0.00 1.89 2.03 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.53 7.81 58 A 7.88 4.14 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 59 I 7.92 3.64 1.71 0.00 0.00 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 1.39 0.58 0.50 0.00 0.00 60 L 7.87 4.16 0.00 1.58 1.49 0.96 0.88 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 61 T 7.65 4.14 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 1.32 0.00 0.00 62 V 7.82 4.31 2.12 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 0.72 0.00 0.00 1.02 0.00 0.00 63 F 8.02 4.65 0.00 2.91 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 64 P 0.00 4.53 0.00 2.06 2.10 0.00 3.35 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 65 L 8.45 4.76 0.00 1.61 1.70 0.97 1.22 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 66 D 8.68 4.56 0.00 2.98 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 67 T 8.90 4.41 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 1.36 0.00 0.00 68 Y 8.76 4.22 0.00 3.18 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 69 V 7.38 4.64 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 0.86 0.00 0.00 0.97 0.00 0.00 70 D 8.69 4.53 0.00 2.71 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 71 K 7.56 4.82 0.00 1.68 1.77 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.38 7.81 72 P 0.00 4.56 0.00 2.17 2.48 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 73 A 8.09 5.29 1.20 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 0.00 0.00 74 T 8.91 5.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 75 L 8.94 5.12 0.00 1.10 0.34 -0.31 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *77 E 8.87 4.34 0.00 1.96 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 78 K 8.17 3.12 0.00 1.53 1.34 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.26 7.81 79 V 8.36 3.78 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 0.86 0.00 0.00 1.05 0.00 0.00 80 P 0.00 4.23 0.00 2.06 2.17 0.00 3.72 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 2.08 2.15 0.00 81 G 7.99 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.28 4.53 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.37 4.41 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 84 V 7.72 3.63 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 0.86 0.00 0.00 0.88 0.00 0.00 85 A 8.32 3.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.65 4.33 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 87 P 0.00 4.19 0.00 2.21 2.29 0.00 3.62 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 1.95 0.00 88 I 7.55 3.55 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.80 0.87 0.00 0.00 89 W 8.16 4.45 0.00 3.54 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 90 D 8.17 4.44 0.00 2.83 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 91 V 7.58 3.60 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 1.06 0.00 0.00 0.95 0.00 0.00 92 Y 8.34 4.46 0.00 3.18 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 93 A 8.52 4.20 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 94 G 8.35 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 95 L 7.94 4.13 0.00 1.88 1.82 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.11 3.93 2.06 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 1.43 0.79 0.95 0.00 0.00 97 K 8.43 4.07 0.00 2.00 2.03 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 98 E 7.86 4.20 0.00 2.17 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 2.30 2.35 0.00 99 H 7.55 4.77 0.00 3.33 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.51 4.63 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 9.02 4.04 0.00 1.95 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 2.30 2.41 0.00 102 R 8.63 4.07 0.00 2.09 1.98 0.00 3.33 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 103 G 8.27 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.81 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.15 4.42 0.00 2.86 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 0.00 106 A 8.17 4.45 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 0.00 107 I 7.56 4.64 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.76 0.00 0.00 108 G 8.85 4.39 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 0.00 109 S 8.14 5.80 0.00 3.74 3.59 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 0.00 110 L 8.30 4.90 0.00 1.73 1.66 0.93 0.91 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 0.00 111 E 9.04 3.93 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 112 R 9.00 3.53 0.00 1.75 1.80 0.00 3.08 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.00 0.00 113 F 8.64 4.19 0.00 3.42 3.23 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 0.00 114 A 8.58 4.14 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 0.00 115 F 8.70 3.95 0.00 3.19 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 0.00 116 Y 8.05 4.66 0.00 3.31 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 0.00 117 E 8.19 4.08 0.00 2.20 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 2.71 2.56 0.00 118 Q 8.31 4.04 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 119 A 8.24 3.94 1.59 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 0.00 0.00 120 K 8.02 4.28 0.00 2.01 1.92 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.77 7.81 121 N 7.91 4.70 0.00 2.87 2.86 0.00 0.00 6.94 6.87 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 0.00 122 A 7.19 4.23 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 0.00 123 Y 8.95 4.34 0.00 3.10 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 0.00 124 C 7.98 5.15 0.00 2.99 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 0.00 125 V 8.80 4.67 2.12 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 1.06 0.00 0.00 0.99 0.00 0.00 126 I 8.96 4.63 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 0.89 0.00 0.00 127 A 8.89 4.67 1.27 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 0.00 128 S 8.82 4.42 0.00 4.13 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.37 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 0.00 0.00 0.00 0.00 130 E 8.51 4.26 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 131 S 8.79 4.47 0.00 3.98 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 0.00 132 A 8.74 4.05 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 0.00 133 Q 8.39 3.69 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 134 Y 7.82 3.60 0.00 3.33 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 0.00 135 A 7.69 4.79 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 0.00 136 N 8.02 4.74 0.00 2.22 2.64 0.00 0.00 6.66 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 0.00 137 L 9.03 4.93 0.00 1.49 1.19 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.94 4.71 1.71 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.15 0.82 0.00 0.00 139 L 8.94 5.20 0.00 1.25 1.53 0.55 0.65 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 0.00 140 Q 8.85 5.11 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 141 K 9.25 3.86 0.00 1.32 1.56 0.00 1.27 0.00 0.00 1.38 0.00 0.00 2.58 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.96 0.24 7.81 142 G 8.10 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 0.00 143 V 7.89 3.72 1.14 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 -0.07 0.00 0.00 0.17 0.00 0.00 144 V 7.67 4.02 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 0.84 0.00 0.00 0.80 0.00 0.00 145 F 8.70 4.40 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.