NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4061 8.3344 116.7914 58.4150 64.3112 172.2785 5 V 4.5134 8.1219 122.7427 60.9405 33.7439 171.5470 6 E 4.8434 9.7289 126.4496 54.6512 34.1264 174.0659 7 L 5.3845 8.3697 122.7132 53.5056 44.4123 175.5183 8 R 4.5886 8.3276 116.9327 55.3152 33.3237 173.5708 9 D 4.9615 8.7179 119.3072 54.3822 41.3345 176.6502 10 A 4.6057 9.3093 125.1704 52.0181 19.6039 176.6218 11 T 4.5903 8.9001 109.8601 58.9028 72.1843 175.5173 12 V 3.0719 7.8934 113.7325 64.3254 31.0703 178.1318 13 D 4.4803 7.5837 117.2833 56.0189 40.9786 177.1057 14 D 4.6965 7.8432 118.8980 54.3001 41.0946 178.1404 15 L 3.9320 7.3861 120.7113 57.6439 41.6321 179.0893 16 S 4.3134 7.9449 113.3390 61.2697 63.4563 176.3506 17 G 3.7719 7.9440 108.9086 47.3425 0.0000 176.2152 18 I 3.9184 7.5848 120.6420 61.3337 36.9871 178.0183 *20 E 4.2685 8.1813 121.3068 56.6385 31.6030 178.5217 21 I 3.7329 7.6754 118.9611 64.3121 37.0970 177.8513 22 Y 3.6174 8.2105 120.5376 60.8222 38.6704 177.9142 23 N 4.3491 8.2446 116.8832 56.2883 38.5847 176.7353 24 D 4.2787 8.2365 119.2603 57.2119 41.3103 178.1464 25 A 3.9731 7.8755 121.3113 55.1436 18.1573 179.6974 26 V 3.4244 7.3341 115.5920 66.0760 31.6179 178.2285 27 V 3.8422 7.7842 116.7661 65.4601 31.5365 176.4236 28 N 4.9528 8.1618 112.4287 52.9242 39.0700 173.6623 29 T 4.8611 8.1422 108.4151 60.7657 72.0656 173.4397 30 T 4.5986 8.5347 108.2346 61.5623 68.9161 175.7012 31 A 4.1783 8.0601 127.3135 54.6624 18.5918 178.6244 32 I 4.5844 7.6207 115.5843 59.5945 40.1100 176.5520 33 W 4.5709 8.7704 129.0476 53.4900 27.3516 174.5220 34 N 4.2610 6.9313 116.5973 53.0829 38.8434 174.8371 35 E 4.4764 8.6577 115.8335 55.9959 30.1790 176.6430 36 V 3.9970 8.1245 120.7230 61.4369 31.1289 175.8855 37 V 4.0513 8.2265 127.7160 61.4111 32.2450 176.1091 38 V 4.3501 9.1174 117.0381 59.7115 33.8753 174.8669 39 D 4.9834 7.8831 120.9753 51.4363 42.2501 176.5176 40 L 3.8969 8.3849 118.9495 58.5525 41.8736 178.8057 41 E 3.9564 8.3211 118.0750 59.4096 29.3629 178.5730 42 N 4.2608 8.0735 117.0005 57.0034 38.9888 177.1803 43 R 3.9678 7.6915 119.2967 58.9327 29.9754 179.2678 44 K 4.0756 8.1758 118.5237 59.5897 32.0399 179.1215 45 D 4.3573 8.3732 119.2017 57.0578 40.7750 178.3734 46 W 4.2738 8.4487 129.0430 60.8049 30.6600 177.7994 47 F 3.6662 9.1102 120.4294 60.9946 38.7871 176.9789 48 A 3.7809 8.3361 120.6027 54.8509 18.1564 179.5159 49 A 3.8232 8.2515 119.7866 55.2691 18.3555 180.1628 50 R 3.6732 7.5228 116.5923 59.4721 30.1857 179.3158 51 T 3.4948 7.1618 115.4832 66.6297 68.1311 176.7892 52 S 3.9883 7.4919 115.7434 61.5732 62.9819 176.5611 53 R 3.7946 7.3467 118.2401 56.5178 29.7159 177.6684 54 G 3.7948 7.2012 106.3534 45.4489 0.0000 173.2395 55 F 4.7946 7.6121 118.7071 55.9824 39.7391 174.1974 56 P 4.2966 0.0000 0.0000 62.7767 33.1946 175.8233 57 V 4.6054 8.1160 120.1653 61.9122 34.3107 173.2254 58 I 5.0197 9.0442 129.6906 59.6054 39.8025 175.5026 59 V 5.1059 8.9239 119.3447 59.5745 35.3327 174.2600 60 A 5.1576 9.1842 125.3419 50.4668 21.4078 175.7075 61 I 4.8873 9.0473 123.8853 59.4569 40.0223 174.7594 62 L 4.7588 8.7485 128.6776 53.8280 45.6517 175.5985 63 D 4.2758 9.7615 125.6362 55.4368 39.4907 174.5199 64 G 3.9792 8.5499 104.6839 45.0609 0.0000 173.6934 65 K 4.5614 7.5698 118.2866 54.2376 35.4335 175.6248 66 V 4.0776 8.2992 119.0855 63.0650 31.2280 175.3489 67 A 4.5681 9.5119 130.7652 51.2320 19.6107 176.1829 68 G 4.7504 7.2618 106.6040 46.9071 0.0000 171.4347 69 Y 5.7365 8.4808 117.9283 55.8675 41.9885 173.5923 70 A 5.2017 9.5432 121.1676 51.3724 23.4575 175.0191 71 S 5.0097 9.2570 113.3972 59.2545 66.5049 173.2267 72 Y 5.2710 7.8364 118.1224 56.4803 41.2190 174.3831 73 G 3.8351 8.6952 106.1185 45.7702 0.0000 172.2894 74 D 4.8404 8.9207 120.7502 54.5723 41.6910 175.7391 75 W 4.6703 8.8560 131.7379 58.7206 31.6908 176.6143 76 R 4.0027 7.4555 115.1711 53.8395 32.4603 176.7246 77 A 4.2061 7.8393 127.8318 51.3728 16.1975 176.0807 78 F 5.0099 7.5590 119.7235 55.1612 44.1721 175.6180 79 D 4.5467 9.4968 125.2695 57.8291 40.7379 179.3186 80 G 3.7275 8.3017 105.4189 47.6747 0.0000 173.3378 81 Y 4.7619 8.7463 118.1251 57.6896 38.0943 177.6786 82 R 4.0049 7.8622 119.1108 59.3672 29.5108 176.9146 83 H 4.9504 8.2128 113.7586 55.7118 30.1377 174.0718 84 T 5.1531 8.3523 116.3253 61.8493 70.7328 173.9017 85 R 4.8466 8.7605 124.2505 54.3059 34.7144 173.6876 86 E 5.0998 9.0744 123.5083 54.8839 31.6009 174.6022 87 H 5.7612 8.5774 122.2413 54.1165 31.7172 173.6934 88 S 4.5127 9.0431 112.9064 56.8068 66.5462 173.0434 89 V 4.7510 7.7696 121.1847 61.3254 34.5245 174.0344 90 Y 4.6746 8.9421 124.5557 56.1746 41.5527 174.2742 91 V 4.6422 8.3846 123.9148 60.8934 33.7261 174.7357 92 H 4.2886 9.2022 128.5560 56.2691 30.1788 176.1984 93 K 3.8517 8.8794 124.3260 59.8249 32.3118 177.1191 94 D 4.8038 8.4969 116.3016 54.0268 40.9091 175.9948 95 A 4.8318 8.0778 121.9724 51.8920 19.6248 177.2473 96 R 4.1293 8.0721 117.6078 58.6152 30.9312 177.0564 97 G 3.8560 8.7488 106.8539 46.6464 0.0000 173.7782 98 H 4.7854 7.9597 114.2568 54.8720 29.6426 175.4931 99 G 4.2868 8.2567 106.9083 46.5844 0.0000 176.0009 100 I 3.8266 7.5010 122.6131 64.0334 36.7759 178.3229 101 G 3.7061 8.0775 104.8815 47.9045 0.0000 174.9742 102 K 4.0801 7.9370 120.6581 59.1500 32.5800 178.5566 103 R 4.1652 7.9318 117.8991 59.0385 29.8940 179.3104 104 L 3.9809 8.0687 116.2871 55.4660 41.3300 178.7052 *106 Q 4.2151 8.0947 122.2801 56.1327 30.9097 177.0398 107 A 4.0928 8.1075 119.5856 55.1807 18.2304 179.6439 108 L 4.1160 8.0734 117.5398 58.0307 41.7321 179.8054 109 I 3.7376 7.7107 119.3230 64.3795 36.8851 178.0742 110 D 4.3685 8.3304 119.1184 57.5985 41.0239 177.9621 111 H 4.2697 8.6439 118.7172 59.3490 29.9416 176.9835 112 A 4.3563 8.1312 124.3784 54.6690 17.9497 179.8422 113 G 3.7697 8.2860 103.0679 46.7806 0.0000 175.0756 114 G 4.1460 7.7747 105.3811 44.1674 0.0000 173.0376 115 N 4.9250 7.8730 118.4087 52.8617 39.6091 173.5640 116 D 4.3442 8.1533 111.9428 54.8959 39.6340 173.3320 117 V 4.3636 7.7170 116.3976 61.4686 33.6150 173.9582 118 H 4.6947 9.3450 127.2275 57.4286 31.6910 174.9043 119 V 4.7670 7.5384 116.6120 60.8944 35.2231 174.0304 120 L 5.1299 8.7000 127.0599 52.9912 44.4133 175.2981 121 I 4.6591 8.7178 123.9061 59.3053 40.2597 174.2354 122 A 4.6441 8.6218 127.4716 49.9736 21.6362 174.9704 123 A 4.7476 8.5090 124.4820 50.2958 20.4138 175.0380 124 I 4.3607 8.3422 122.3003 59.7602 40.2388 175.2682 125 E 4.6534 8.9847 127.4308 56.8624 30.0449 177.0379 126 A 4.0393 9.2619 131.7156 55.7372 18.4634 178.4027 127 E 4.2369 8.6268 112.0953 57.7407 30.1824 178.3393 128 N 4.7062 8.3304 120.0260 52.6573 35.9001 174.8487 129 T 3.8742 7.8971 121.3541 66.1840 69.1030 175.5290 130 A 4.0020 7.9657 122.1926 55.2450 18.4153 179.5151 131 S 4.0301 8.5008 111.5790 61.4407 62.4397 176.2618 132 I 3.6591 7.7031 122.5445 64.6251 36.8097 178.5973 133 R 4.2824 8.3567 120.4669 58.6131 29.5542 178.8528 134 L 3.9241 8.0169 120.0950 58.5622 42.0994 178.8399 135 H 3.8834 8.3949 116.1610 58.8099 28.4516 177.6469 136 E 4.3898 8.7579 122.1606 58.8745 29.1170 179.3994 137 S 4.3149 8.3712 113.0513 60.2053 63.0051 175.4127 138 L 4.7008 7.3764 121.0800 54.3556 42.0410 177.1793 139 G 3.9663 8.2147 108.1306 44.8337 0.0000 174.4711 140 F 4.4081 8.4527 119.1670 57.5749 40.0658 174.6805 141 R 4.8615 8.5665 120.4829 53.9943 33.5444 175.7355 142 V 3.6884 8.4942 122.0160 63.6277 31.7930 175.2661 143 V 4.1144 8.5910 127.3778 63.3456 33.1722 175.4790 144 G 3.9290 7.0615 105.0376 46.1752 0.0000 171.2630 145 R 5.2552 8.2131 119.3189 54.4614 32.6697 174.4832 146 F 4.4835 9.8650 126.1824 56.9671 40.5680 174.6262 147 S 4.8695 8.8676 118.7112 57.6343 63.2370 173.6346 148 E 4.0504 9.6778 128.5589 57.6574 27.3651 175.9703 149 V 4.0642 8.1150 109.8176 62.2109 32.6746 176.3560 150 G 4.2584 8.1856 108.1294 43.9333 0.0000 171.3951 151 T 4.7273 7.6420 112.3837 60.1870 70.5911 172.7638 152 K 3.8721 8.6257 125.9927 56.6156 35.3574 174.8163 153 F 3.9127 9.1139 120.8376 58.6260 36.3643 176.5595 154 G 3.8494 8.4517 106.6294 45.4043 0.0000 173.8823 155 R 4.5105 7.6438 115.2588 53.3989 32.6051 174.5794 156 W 4.9457 8.3332 118.4326 56.7163 30.1004 175.7589 157 L 4.8863 9.3300 122.8229 53.1245 44.8608 175.3078 158 D 5.4384 8.7842 121.1666 52.7815 44.1203 175.0486 159 L 5.2566 9.1688 123.6375 53.8887 44.8073 175.1461 160 T 4.9638 9.1401 124.5114 62.6101 70.3199 174.5936 161 C 5.9778 9.0915 124.6424 57.3976 31.5165 172.4173 *163 E 4.5437 8.3654 116.5428 56.4445 31.1083 174.8097 164 L 4.4016 8.2791 122.6364 53.0693 44.9675 174.9062 165 K 4.4539 8.4224 128.3146 55.4208 33.2435 176.3089 166 L 4.2616 8.8711 127.6540 54.8256 41.3602 176.4695 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 4 S 8.33 4.41 0.00 3.87 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 5 V 8.12 4.51 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 0.81 0.00 0.00 0.93 0.00 0.00 6 E 9.73 4.84 0.00 1.91 1.78 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 2.22 2.42 0.00 7 L 8.37 5.38 0.00 1.53 1.61 0.96 0.93 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 8 R 8.33 4.59 0.00 1.91 2.02 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 9 D 8.72 4.96 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.31 4.61 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 11 T 8.90 4.59 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 1.22 0.00 0.00 12 V 7.89 3.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 13 D 7.58 4.48 0.00 2.54 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 14 D 7.84 4.70 0.00 2.67 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 15 L 7.39 3.93 0.00 1.60 1.65 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.94 4.31 0.00 3.99 3.95 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 0.00 0.00 0.00 17 G 7.94 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 18 I 7.58 3.92 1.74 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 1.21 0.66 -0.27 0.00 0.00 *20 E 8.18 4.27 0.00 2.21 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 2.29 2.62 0.00 21 I 7.68 3.73 2.21 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 1.01 0.00 0.00 22 Y 8.21 3.62 0.00 2.89 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 23 N 8.24 4.35 0.00 2.79 2.87 0.00 0.00 6.68 8.08 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 24 D 8.24 4.28 0.00 2.84 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 25 A 7.88 3.97 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 26 V 7.33 3.42 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 0.93 0.00 0.00 0.56 0.00 0.00 27 V 7.78 3.84 2.20 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 0.92 0.00 0.00 0.99 0.00 0.00 28 N 8.16 4.95 0.00 2.70 2.75 0.00 0.00 6.85 7.98 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 29 T 8.14 4.86 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 1.25 0.00 0.00 30 T 8.53 4.60 4.46 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 1.42 0.00 0.00 31 A 8.06 4.18 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 32 I 7.62 4.58 1.77 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 1.47 0.79 0.91 0.00 0.00 33 W 8.77 4.57 0.00 3.20 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 34 N 6.93 4.26 0.00 2.77 2.81 0.00 0.00 6.18 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 35 E 8.66 4.48 0.00 1.88 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 0.00 2.11 2.16 0.00 36 V 8.12 4.00 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 0.82 0.00 0.00 0.95 0.00 0.00 37 V 8.23 4.05 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 0.79 0.00 0.00 1.02 0.00 0.00 38 V 9.12 4.35 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 0.68 0.00 0.00 0.69 0.00 0.00 39 D 7.88 4.98 0.00 2.77 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 L 8.38 3.90 0.00 1.74 1.68 0.87 0.87 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 41 E 8.32 3.96 0.00 2.14 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 2.40 2.47 0.00 42 N 8.07 4.26 0.00 2.72 2.91 0.00 0.00 7.25 7.83 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 43 R 7.69 3.97 0.00 1.92 1.97 0.00 2.66 0.00 0.00 2.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 44 K 8.18 4.08 0.00 2.12 1.91 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 45 D 8.37 4.36 0.00 2.89 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 46 W 8.45 4.27 0.00 3.37 3.37 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 47 F 9.11 3.67 0.00 3.27 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 48 A 8.34 3.78 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 49 A 8.25 3.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.52 3.67 0.00 1.37 1.76 0.00 2.21 0.00 0.00 2.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 51 T 7.16 3.49 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 0.97 0.00 0.00 52 S 7.49 3.99 0.00 3.83 3.78 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 53 R 7.35 3.79 0.00 0.67 0.66 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 54 G 7.20 3.79 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 0.00 0.00 0.00 55 F 7.61 4.79 0.00 2.69 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 56 P 0.00 4.30 0.00 1.85 1.41 0.00 2.26 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.00 57 V 8.12 4.61 2.21 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 1.23 0.00 0.00 0.55 0.00 0.00 58 I 9.04 5.02 1.97 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 1.28 0.51 1.04 0.00 0.00 59 V 8.92 5.11 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 1.00 0.00 0.00 1.05 0.00 0.00 60 A 9.18 5.16 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 61 I 9.05 4.89 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 1.15 0.92 0.98 0.00 0.00 62 L 8.75 4.76 0.00 1.69 1.45 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.76 4.28 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 64 G 8.55 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 65 K 7.57 4.56 0.00 1.92 1.89 0.00 1.28 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.30 7.81 66 V 8.30 4.08 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 0.95 0.00 0.00 0.95 0.00 0.00 67 A 9.51 4.57 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 68 G 7.26 4.75 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 0.00 0.00 0.00 69 Y 8.48 5.74 0.00 3.27 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 70 A 9.54 5.20 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.26 5.01 0.00 4.21 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 72 Y 7.84 5.27 0.00 2.93 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 73 G 8.70 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 74 D 8.92 4.84 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.86 4.67 0.00 3.14 3.28 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 76 R 7.46 4.00 0.00 0.67 1.02 0.00 2.60 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 A 7.84 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.56 5.01 0.00 3.64 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 79 D 9.50 4.55 0.00 2.83 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 80 G 8.30 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 0.00 0.00 0.00 81 Y 8.75 4.76 0.00 3.37 3.19 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 0.00 82 R 7.86 4.00 0.00 1.94 2.19 0.00 2.96 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.19 0.00 83 H 8.21 4.95 0.00 3.16 3.46 0.00 5.56 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.35 5.15 4.73 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 1.22 0.00 0.00 85 R 8.76 4.85 0.00 1.18 1.56 0.00 2.93 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.36 0.00 86 E 9.07 5.10 0.00 2.23 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 2.22 2.41 0.00 87 H 8.58 5.76 0.00 3.39 3.36 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.04 4.51 0.00 3.51 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.77 4.75 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 0.83 0.00 0.00 0.91 0.00 0.00 90 Y 8.94 4.67 0.00 2.41 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 91 V 8.38 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 0.88 0.00 0.00 0.96 0.00 0.00 92 H 9.20 4.29 0.00 3.29 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.88 3.85 0.00 1.91 1.95 0.00 1.61 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.52 7.81 94 D 8.50 4.80 0.00 2.70 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 95 A 8.08 4.83 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 96 R 8.07 4.13 0.00 1.80 1.86 0.00 3.47 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.58 0.00 97 G 8.75 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 98 H 7.96 4.79 0.00 3.21 3.27 0.00 5.75 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 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1.83 1.95 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.71 3.74 2.07 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 1.65 0.99 0.89 0.00 0.00 110 D 8.33 4.37 0.00 2.84 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 0.00 111 H 8.64 4.27 0.00 3.35 3.62 0.00 5.60 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 0.00 112 A 8.13 4.36 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 0.00 113 G 8.29 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 0.00 114 G 7.77 4.15 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 0.00 0.00 0.00 115 N 7.87 4.92 0.00 2.85 2.95 0.00 0.00 7.10 7.92 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 0.00 116 D 8.15 4.34 0.00 2.84 2.75 0.00 0.00 0.00 0.00 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0.00 0.00 133 R 8.36 4.28 0.00 1.95 1.99 0.00 3.15 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 134 L 8.02 3.92 0.00 1.80 1.80 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.39 3.88 0.00 3.30 3.11 0.00 5.87 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 0.00 136 E 8.76 4.39 0.00 2.20 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 2.38 2.46 0.00 137 S 8.37 4.31 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.38 4.70 0.00 1.96 1.85 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.21 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 0.00 0.00 0.00 140 F 8.45 4.41 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.57 4.86 0.00 1.63 1.79 0.00 3.13 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 142 V 8.49 3.69 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 0.76 0.00 0.00 0.95 0.00 0.00 143 V 8.59 4.11 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 0.85 0.00 0.00 0.98 0.00 0.00 144 G 7.06 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 0.00 145 R 8.21 5.26 0.00 1.79 1.76 0.00 3.28 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 146 F 9.87 4.48 0.00 3.11 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 0.00 147 S 8.87 4.87 0.00 3.89 3.76 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 0.00 148 E 9.68 4.05 0.00 1.64 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 2.26 2.17 0.00 149 V 8.11 4.06 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 0.84 0.00 0.00 1.22 0.00 0.00 150 G 8.19 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 0.00 0.00 0.00 0.00 151 T 7.64 4.73 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 1.02 0.00 0.00 152 K 8.63 3.87 0.00 1.19 0.92 0.00 1.42 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.81 7.81 153 F 9.11 3.91 0.00 3.18 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 0.00 154 G 8.45 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 0.00 155 R 7.64 4.51 0.00 1.93 1.94 0.00 2.79 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 156 W 8.33 4.95 0.00 3.17 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 0.00 157 L 9.33 4.89 0.00 0.58 1.15 -0.34 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.78 5.44 0.00 2.72 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 0.00 159 L 9.17 5.26 0.00 1.88 1.67 0.43 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 160 T 9.14 4.96 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 1.23 0.00 0.00 161 C 9.09 5.98 0.00 3.09 2.95 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 0.00 0.00 0.00 *163 E 8.37 4.54 0.00 1.92 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 2.22 2.22 0.00 164 L 8.28 4.40 0.00 0.27 0.48 0.55 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 165 K 8.42 4.45 0.00 1.64 1.54 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 1.12 7.81 166 L 8.87 4.26 0.00 1.61 1.48 0.77 0.83 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 * Residues marked with a * may have inaccurate shift predictions.