NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4595 8.3349 115.4154 58.0009 64.3058 171.3912 3 N 4.8760 7.5852 116.0321 53.0558 42.9023 172.6364 4 T 4.8008 9.0416 114.9695 62.8687 73.2593 173.5738 5 L 4.8592 8.2617 122.2701 53.8087 43.8818 176.2168 6 F 4.5947 7.3948 117.5920 57.6174 42.4435 171.8406 7 D 5.6054 8.6272 124.7769 50.9395 44.6876 174.1216 8 D 4.8022 8.1281 126.4555 54.2309 44.5130 175.3293 9 I 4.6921 7.6279 126.6043 60.8757 38.9267 174.7213 10 F 5.1612 10.3890 124.8291 55.6596 42.9829 173.9205 11 Q 5.0104 9.4066 123.9220 54.2624 31.2022 174.7482 12 V 4.0990 8.5541 128.2794 63.1298 31.8335 176.4801 13 S 4.4125 8.7670 124.0415 60.2924 64.3512 174.2906 14 E 4.7506 7.9632 119.1934 54.1612 33.5759 174.5425 15 V 4.3905 8.3618 123.6512 61.3524 34.2793 173.8742 16 D 4.8788 8.8201 129.0040 51.7401 42.9746 174.1192 17 P 4.9221 0.0000 0.0000 61.4131 29.6998 176.1719 18 G 3.8112 8.3522 112.2117 46.9592 0.0000 171.4328 19 R 3.8176 8.3431 129.1079 57.1131 27.8188 176.2206 20 Y 4.8496 7.8533 112.1966 56.6908 41.9740 175.3050 21 N 4.9481 8.9563 118.6088 53.3166 40.4710 175.3017 22 K 4.7434 8.0608 116.0059 55.7133 34.5261 175.4675 23 V 4.9265 7.7641 118.9380 61.5692 34.8108 174.0403 24 C 4.9720 8.8379 123.1766 58.0697 33.1763 173.1056 25 R 4.7038 9.1978 123.7994 55.1819 30.9907 175.0819 26 I 4.6276 8.8937 128.5885 60.3611 39.4388 175.1069 27 E 5.3780 9.1770 125.4214 53.5083 32.2283 173.7469 28 A 5.2876 8.4659 128.2606 50.1473 22.5067 175.2350 29 A 4.6939 9.0595 123.6727 51.3664 20.9727 175.9872 30 S 4.4428 8.1270 114.3688 57.1977 63.6555 173.7700 31 T 3.7994 7.7429 123.6173 65.5944 68.7903 172.6345 32 T 3.4608 9.1994 125.0492 62.7405 64.9709 172.3954 33 Q 4.3472 8.5280 131.4244 55.0011 29.3001 176.4380 34 D 4.4930 8.7310 124.2421 57.1667 41.1794 178.5488 35 Q 4.0940 8.1322 117.3517 58.7535 29.0221 176.2804 36 C 5.3801 8.0897 119.2487 58.4415 32.7961 173.0008 37 K 4.9722 8.7185 124.0182 54.6762 36.9144 174.6935 38 L 5.0144 8.5787 122.8229 53.7271 45.9320 175.1922 39 T 5.0407 8.4544 121.2404 61.7437 71.9032 172.7529 40 L 5.1237 9.3201 127.6112 53.6510 46.3879 174.0885 41 D 5.2546 8.6065 124.0342 52.8194 42.4362 176.0841 42 I 4.4241 8.4897 124.0242 59.3410 41.4588 174.9236 43 N 5.7444 8.6827 124.0126 52.3209 37.5130 175.3730 44 V 3.9448 8.3022 122.9731 63.8342 31.5802 175.9983 45 E 4.2219 8.5228 119.9309 58.9894 29.9565 176.9561 46 L 4.4648 8.5004 117.4580 56.0320 42.1645 176.9025 47 F 4.7585 8.6443 120.9744 55.1404 39.7337 171.7400 48 P 4.3014 0.0000 0.0000 62.6614 31.9233 175.0524 49 V 4.1027 7.1716 117.4438 62.7507 34.3004 171.2854 50 A 4.1252 7.8093 121.0268 51.8713 22.8634 175.0569 51 A 3.8699 8.7629 120.5562 53.6300 17.9439 176.4019 52 Q 3.6108 8.4322 123.6820 56.8382 26.0492 172.9268 53 D 5.1306 7.8792 120.2776 52.2086 45.2379 175.3246 54 S 4.8270 8.6721 116.2281 57.3242 62.8250 172.5004 55 L 4.7718 9.3569 127.2075 53.8279 43.9155 175.6388 56 T 4.7803 8.2247 120.7987 62.3571 70.1740 174.1057 57 V 5.0577 8.9750 126.3086 61.8665 35.0863 174.3551 58 T 5.3078 8.4601 120.0008 64.2865 72.9355 172.1834 59 I 4.7607 9.1992 123.0346 57.5730 38.6829 180.3044 60 A 3.8088 8.9036 133.0265 54.3979 17.4905 177.8178 61 S 5.4662 8.2098 100.5000 58.1963 65.2439 176.0041 62 S 4.4748 7.1381 124.2405 58.8839 66.7445 178.4038 63 L 4.1113 8.4056 113.2811 54.8726 38.4162 176.6439 *76 T 4.1365 7.4983 116.7390 63.0563 70.3872 170.8694 77 R 3.8575 8.3835 127.0283 54.9782 30.4740 176.6646 78 S 4.2088 8.7608 116.0825 58.2973 63.2385 174.2309 79 W 4.2467 8.8223 133.3576 57.6136 31.0823 174.8198 80 R 4.4378 7.3232 122.0775 53.5083 33.5625 172.0942 81 P 3.9656 0.0000 0.0000 62.7226 34.0148 177.6923 82 P 4.4794 0.0000 0.0000 63.1231 31.8997 175.8130 83 Q 3.8214 8.7235 115.1016 56.9657 27.0543 174.8323 84 A 4.1068 7.5811 117.1940 53.3988 18.3990 178.9845 85 G 3.5458 7.9739 105.1056 47.4060 0.0000 173.8247 86 D 4.9959 8.0508 118.3716 53.7159 42.7649 175.6577 87 R 4.6080 8.5804 119.0039 54.6064 30.9762 175.6196 88 S 4.1897 8.4566 121.0305 60.0897 63.5989 174.8975 89 L 4.5392 7.5883 113.7343 54.7919 43.7770 175.5979 90 A 4.4570 7.9107 123.4784 52.2419 18.0106 177.5945 91 D 4.9883 7.9055 116.4639 54.8649 40.2357 177.2971 92 D 4.6466 8.3538 117.2649 55.8870 40.8738 175.0808 93 Y 4.8974 7.5640 116.3547 56.5717 41.2273 173.8723 94 D 4.9052 9.1713 118.2604 56.3799 42.3111 176.4564 95 Y 4.4311 7.5436 119.2255 56.0457 40.7261 173.9240 96 V 4.9627 7.2998 124.5450 61.8952 34.9330 173.2233 97 M 4.8912 9.1680 125.7018 53.8127 36.7277 173.3119 98 Y 5.0922 8.4208 120.1777 56.5713 42.3117 174.6335 99 G 3.5155 6.9826 109.3316 45.9224 0.0000 171.9590 100 T 4.8722 7.9469 114.7685 60.4212 71.8064 173.6785 101 A 4.2479 8.3421 127.9850 51.1688 19.6846 175.2342 102 Y 4.5159 8.1048 117.4197 57.7424 40.2801 175.7596 103 K 4.7591 7.0690 121.9687 53.6915 35.4976 173.8307 104 F 5.0414 9.1180 125.6740 56.1215 40.4290 174.9555 105 E 4.7816 9.2301 123.3795 54.6321 33.5947 175.8065 106 E 4.5858 8.6870 122.4967 54.8945 28.2931 177.3816 107 V 3.5846 7.9908 122.6416 63.4502 31.6436 176.8272 108 S 4.0542 8.0784 112.6255 58.7582 63.5726 169.5846 109 K 4.2053 8.1946 119.4585 56.5025 31.1317 174.0724 110 D 4.8452 8.4751 112.0045 53.5317 39.9130 175.8168 111 L 5.1186 7.3909 116.0620 54.9109 46.4935 176.6763 112 I 4.7284 9.0976 121.0774 59.9746 42.1308 173.9126 113 A 5.6332 9.0315 126.5266 49.4990 22.9213 175.1068 114 V 4.3832 7.4154 110.1161 59.9076 36.7535 174.0423 115 Y 5.0109 7.9698 119.0454 56.4404 41.2009 174.4944 116 Y 4.6842 9.1005 121.1547 55.9888 42.5269 174.6559 117 S 4.6916 8.5582 116.1961 56.7478 65.3992 173.7565 118 F 4.3508 10.1321 129.8475 56.8572 37.2116 176.1892 119 G 4.0764 9.0955 111.2772 46.9340 0.0000 171.8266 120 G 4.0722 7.7394 109.5487 45.2057 0.0000 175.1861 121 L 4.2834 8.3009 121.1381 54.5510 42.6489 176.6474 122 L 4.9502 9.7264 124.6699 53.8243 44.7306 175.4264 123 M 5.8984 8.7515 119.9771 54.7353 36.4538 173.2803 124 R 4.7609 8.6569 125.7937 54.2704 33.3286 173.4813 125 L 4.8192 8.4255 128.3492 53.0205 44.9126 174.3139 126 E 4.9497 8.1929 126.6117 53.3601 32.4472 173.0397 127 G 4.2378 8.7356 118.4406 46.3444 0.0000 173.2387 128 N 4.2846 7.8308 127.7336 52.9527 42.9904 175.3142 129 Y 4.4290 7.1390 115.6333 58.8749 38.0553 177.3291 130 R 4.0316 7.4181 119.6545 57.7931 30.0521 177.4891 131 N 4.2820 7.6607 116.5053 55.8905 38.5564 175.4451 132 L 4.5114 7.2735 117.8572 56.7218 42.7966 177.8845 133 N 4.4775 8.3210 114.2790 55.5701 38.7578 174.7146 134 N 4.8993 8.1794 116.8835 51.7311 40.1752 175.5462 135 L 4.4231 8.4338 124.8579 55.0841 42.3645 176.9673 136 K 4.3284 8.4673 117.9492 56.7885 33.9888 175.3989 137 Q 4.6230 7.6794 115.3864 54.0754 31.8510 173.6046 138 E 3.6435 8.5470 116.9451 59.7107 29.8919 175.7220 139 N 4.1216 6.9901 115.3788 49.6450 39.9073 174.4771 140 A 5.6339 8.4847 132.1374 52.7290 21.9957 174.8558 141 Y 5.1219 8.4160 119.2377 57.5574 41.0274 174.7921 142 L 4.9142 9.4742 124.8257 53.4048 44.8782 174.9781 143 L 4.9537 8.8788 126.7191 52.8752 44.5596 175.8044 144 I 5.8902 9.0034 123.3810 58.6504 41.4216 174.5334 145 R 5.1664 8.6162 119.9467 55.3418 33.3748 175.3229 146 R 4.1259 9.5007 118.8089 57.0124 30.9136 176.2394 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 S 8.33 4.46 0.00 4.00 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 3 N 7.59 4.88 0.00 2.79 2.79 0.00 0.00 6.98 6.65 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 4 T 9.04 4.80 4.29 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 1.29 0.00 0.00 5 L 8.26 4.86 0.00 1.78 2.01 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.39 4.59 0.00 3.20 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 7 D 8.63 5.61 0.00 2.65 2.37 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 8 D 8.13 4.80 0.00 2.52 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 9 I 7.63 4.69 1.82 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 1.39 0.91 0.93 0.00 0.00 10 F 10.39 5.16 0.00 3.02 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 11 Q 9.41 5.01 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 12 V 8.55 4.10 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 1.02 0.00 0.00 13 S 8.77 4.41 0.00 3.95 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 14 E 7.96 4.75 0.00 2.01 1.76 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 2.27 2.30 0.00 15 V 8.36 4.39 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 0.83 0.00 0.00 0.92 0.00 0.00 16 D 8.82 4.88 0.00 2.87 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 17 P 0.00 4.92 0.00 2.15 2.08 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 18 G 8.35 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.34 3.82 0.00 1.80 1.76 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 20 Y 7.85 4.85 0.00 3.00 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 21 N 8.96 4.95 0.00 2.72 2.86 0.00 0.00 6.76 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 22 K 8.06 4.74 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 23 V 7.76 4.93 1.76 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 0.54 0.00 0.00 0.86 0.00 0.00 24 C 8.84 4.97 0.00 2.86 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 25 R 9.20 4.70 0.00 1.93 1.81 0.00 3.09 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 26 I 8.89 4.63 1.79 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 1.08 0.50 0.86 0.00 0.00 27 E 9.18 5.38 0.00 2.02 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 2.19 2.18 0.00 28 A 8.47 5.29 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 29 A 9.06 4.69 1.30 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 0.00 0.00 30 S 8.13 4.44 0.00 3.46 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 31 T 7.74 3.80 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 32 T 9.20 3.46 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 1.13 0.00 0.00 33 Q 8.53 4.35 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 34 D 8.73 4.49 0.00 2.67 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 35 Q 8.13 4.09 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 36 C 8.09 5.38 0.00 3.15 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 37 K 8.72 4.97 0.00 1.72 1.67 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.44 7.81 38 L 8.58 5.01 0.00 1.17 1.25 0.58 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.45 5.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 40 L 9.32 5.12 0.00 1.48 1.27 0.85 0.77 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 41 D 8.61 5.25 0.00 2.60 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 42 I 8.49 4.42 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.44 0.69 0.00 0.00 43 N 8.68 5.74 0.00 2.94 2.97 0.00 0.00 6.71 7.59 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 44 V 8.30 3.94 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 0.92 0.00 0.00 1.00 0.00 0.00 45 E 8.52 4.22 0.00 2.01 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 0.00 2.30 2.35 0.00 46 L 8.50 4.46 0.00 1.84 1.83 0.91 1.07 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 47 F 8.64 4.76 0.00 3.42 3.03 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 48 P 0.00 4.30 0.00 1.90 1.91 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 49 V 7.17 4.10 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 0.74 0.00 0.00 1.00 0.00 0.00 50 A 7.81 4.13 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 51 A 8.76 3.87 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 52 Q 8.43 3.61 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 53 D 7.88 5.13 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 4.83 0.00 3.90 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 55 L 9.36 4.77 0.00 1.72 1.73 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.22 4.78 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 1.33 0.00 0.00 57 V 8.98 5.06 2.67 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 1.01 0.00 0.00 0.85 0.00 0.00 58 T 8.46 5.31 4.00 0.00 0.00 0.00 0.00 0.00 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 59 I 9.20 4.76 1.95 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.02 0.87 0.00 0.00 60 A 8.90 3.81 1.42 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 0.00 0.00 61 S 8.21 5.47 0.00 4.12 4.05 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 62 S 7.14 4.47 0.00 3.87 2.89 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 0.00 0.00 0.00 63 L 8.41 4.11 0.00 1.60 1.63 0.90 0.75 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 *76 T 7.50 4.14 4.30 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 1.27 0.00 0.00 77 R 8.38 3.86 0.00 1.99 1.96 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 78 S 8.76 4.21 0.00 4.04 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 79 W 8.82 4.25 0.00 3.23 3.21 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 80 R 7.32 4.44 0.00 1.46 1.52 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 81 P 0.00 3.97 0.00 1.92 1.40 0.00 3.26 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 82 P 0.00 4.48 0.00 2.16 1.96 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 83 Q 8.72 3.82 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 84 A 7.58 4.11 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 85 G 7.97 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 5.00 0.00 2.60 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 87 R 8.58 4.61 0.00 1.68 1.60 0.00 3.21 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 88 S 8.46 4.19 0.00 3.95 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 L 7.59 4.54 0.00 1.60 1.91 0.97 0.87 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 90 A 7.91 4.46 1.24 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 0.00 0.00 91 D 7.91 4.99 0.00 2.89 2.93 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 92 D 8.35 4.65 0.00 2.47 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 93 Y 7.56 4.90 0.00 2.90 3.22 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 94 D 9.17 4.91 0.00 2.84 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 95 Y 7.54 4.43 0.00 1.77 1.74 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 96 V 7.30 4.96 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 0.87 0.00 0.00 0.88 0.00 0.00 97 M 9.17 4.89 0.00 1.66 1.11 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.15 0.00 98 Y 8.42 5.09 0.00 2.36 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 99 G 6.98 3.52 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 0.00 0.00 0.00 100 T 7.95 4.87 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 101 A 8.34 4.25 -0.12 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 0.00 102 Y 8.10 4.52 0.00 2.98 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 0.00 103 K 7.07 4.76 0.00 1.95 1.69 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 104 F 9.12 5.04 0.00 2.81 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 0.00 105 E 9.23 4.78 0.00 2.03 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 2.29 2.37 0.00 106 E 8.69 4.59 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 107 V 7.99 3.58 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 0.85 0.00 0.00 0.88 0.00 0.00 108 S 8.08 4.05 0.00 4.27 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 0.00 109 K 8.19 4.21 0.00 1.91 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 110 D 8.48 4.85 0.00 2.85 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 0.00 111 L 7.39 5.12 0.00 1.68 1.53 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 I 9.10 4.73 1.83 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 1.17 0.53 0.99 0.00 0.00 113 A 9.03 5.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.42 4.38 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 -0.37 0.00 0.00 0.67 0.00 0.00 115 Y 7.97 5.01 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.10 4.68 0.00 2.71 2.24 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 0.00 117 S 8.56 4.69 0.00 4.02 3.64 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 0.00 118 F 10.13 4.35 0.00 3.31 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 0.00 119 G 9.10 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 0.00 0.00 0.00 0.00 120 G 7.74 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 0.00 121 L 8.30 4.28 0.00 1.90 1.85 0.98 0.43 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 0.00 122 L 9.73 4.95 0.00 1.80 1.70 0.98 0.95 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 0.00 123 M 8.75 5.90 0.00 2.34 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 124 R 8.66 4.76 0.00 1.88 1.62 0.00 3.20 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 125 L 8.43 4.82 0.00 1.44 1.14 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.19 4.95 0.00 1.97 1.71 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 2.14 2.15 0.00 127 G 8.74 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 0.00 0.00 0.00 0.00 128 N 7.83 4.28 0.00 2.76 2.76 0.00 0.00 6.66 7.56 0.00 0.00 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 Y 7.14 4.43 0.00 3.32 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 0.00 130 R 7.42 4.03 0.00 1.78 2.02 0.00 2.95 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.11 0.00 131 N 7.66 4.28 0.00 2.71 2.98 0.00 0.00 6.88 9.19 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 0.00 132 L 7.27 4.51 0.00 1.75 1.77 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.32 4.48 0.00 2.92 3.37 0.00 0.00 6.77 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 0.00 134 N 8.18 4.90 0.00 2.92 2.89 0.00 0.00 7.21 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 0.00 135 L 8.43 4.42 0.00 1.87 1.85 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.47 4.33 0.00 1.54 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.98 7.81 137 Q 7.68 4.62 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 138 E 8.55 3.64 0.00 1.98 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 2.34 2.28 0.00 139 N 6.99 4.12 0.00 2.93 3.00 0.00 0.00 6.72 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 0.00 140 A 8.48 5.63 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 0.00 141 Y 8.42 5.12 0.00 2.98 2.98 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 0.00 142 L 9.47 4.91 0.00 1.38 1.03 0.76 0.07 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 0.00 143 L 8.88 4.95 0.00 0.54 0.13 0.79 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.00 5.89 1.57 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.18 0.89 0.00 0.00 145 R 8.62 5.17 0.00 1.87 2.10 0.00 2.90 0.00 0.00 2.60 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 146 R 9.50 4.13 0.00 1.92 1.94 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.