NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3638 8.3301 115.2953 57.7684 63.5030 174.0867 4 A 4.0867 8.3798 128.9824 52.0681 15.7085 175.6392 5 I 4.3513 7.4962 122.7618 60.2925 41.3948 172.2002 6 T 4.6508 7.9429 109.3070 60.5290 70.4367 171.9201 7 L 4.1551 9.1135 118.9330 57.1827 43.4800 178.9854 8 W 4.0064 8.4269 116.6347 60.0763 27.6500 178.2003 9 Q 3.1823 6.5625 117.9934 58.1644 27.7364 178.1349 10 F 4.0856 7.7209 120.3141 61.1150 39.7645 176.3150 11 L 3.8037 8.1529 118.6680 58.0071 41.5969 179.1109 12 L 3.6943 7.9238 119.7386 58.3824 41.8042 178.6597 13 Q 4.1599 8.3904 119.4929 58.8567 29.1794 178.1694 14 L 4.2266 7.3872 118.8394 55.9536 41.7121 177.7195 15 L 4.1721 7.8751 117.8308 55.2968 41.2486 177.2335 16 Q 4.4237 7.8358 117.2195 57.3745 30.1115 176.5861 17 K 4.1513 7.7491 120.8914 55.8663 32.6768 175.8752 18 P 4.3539 0.0000 0.0000 64.4867 31.3951 178.2039 19 Q 4.1833 7.5295 116.8936 57.9298 29.0071 176.9496 20 N 5.0106 7.7719 115.0473 52.9279 39.5134 176.3455 21 K 4.4852 8.5190 116.5460 56.9187 30.7639 177.4466 22 H 4.9770 8.9085 112.8233 54.9891 30.2857 174.3346 23 M 4.5183 7.8738 115.8993 56.0829 33.2985 175.2261 24 I 5.5754 7.6999 111.6097 57.2636 40.2170 173.0283 25 C 4.9087 8.6524 123.9202 57.4618 31.7140 174.8610 26 W 5.0045 8.5111 116.9742 57.6985 32.0851 174.2471 27 T 4.3863 8.1060 119.6112 64.3060 71.5046 172.7477 28 S 4.8763 7.7190 117.6968 58.7452 64.5276 175.7239 29 N 4.9521 8.6568 120.1316 53.5145 38.7149 175.8875 30 D 4.9181 9.2670 119.0287 52.7390 41.2597 176.9223 31 G 3.9323 8.6151 116.3639 46.2834 0.0000 172.8143 32 Q 5.1677 8.1547 119.6678 55.7187 30.0850 176.2758 33 F 4.5677 8.5893 113.5673 57.3400 40.9725 172.0564 34 K 4.5798 7.7899 117.6467 55.4662 35.4089 174.8858 35 L 4.6794 8.9347 127.4445 52.8405 40.1559 176.9728 36 L 3.6099 8.7436 122.0226 57.6662 42.3665 178.8668 37 Q 3.8603 7.5459 112.9579 56.1177 29.4351 175.5734 38 A 3.9049 6.7803 122.2372 53.0863 18.2323 179.0842 39 E 3.9559 7.9159 113.6526 59.2457 29.8280 179.2323 40 E 3.9347 8.2096 118.5900 59.5339 29.6433 178.4609 41 V 3.3441 7.9740 116.0397 66.2542 31.4843 177.4472 42 A 4.3851 8.3792 120.3890 55.4971 18.5120 179.5959 43 R 3.6809 8.2746 116.4632 59.7425 29.9645 179.1999 44 L 4.3181 8.8406 118.5096 56.8979 41.6969 178.7224 45 W 4.8379 9.3634 130.2146 59.8729 30.7198 178.3945 46 G 3.5401 8.0977 105.6074 47.8471 0.0000 175.2603 47 I 3.7312 7.3467 114.6181 62.2658 37.3729 176.0099 48 R 4.0950 7.1145 120.4509 55.9037 30.8971 175.9282 49 K 3.6061 7.7136 125.1854 59.5865 28.5671 176.5296 50 N 3.9200 6.5752 115.5014 53.0353 35.8338 175.3991 51 K 4.5705 8.5514 130.5998 54.5061 32.9238 176.1443 52 P 4.1141 0.0000 0.0000 65.2294 31.6106 177.1637 53 N 4.6173 7.8336 114.3660 53.7597 39.6639 174.6813 54 M 3.8273 8.7798 118.6865 56.1225 32.4464 174.8507 55 N 5.2355 8.4530 121.5993 50.1564 40.8721 174.3336 56 Y 4.2984 8.9999 118.0979 61.3467 38.3854 177.5062 57 D 4.5097 8.1532 118.3262 55.7148 41.3841 177.7070 58 K 4.2776 8.2061 118.1341 58.4861 33.2354 178.2095 59 L 4.2697 7.9836 120.2025 58.1526 41.7855 178.8298 60 S 3.7702 8.9432 114.7624 61.3212 62.7587 176.1618 61 R 3.5197 7.8191 122.4523 58.6239 29.4654 177.6913 62 A 3.9948 7.9573 119.2595 55.4062 18.6389 179.1988 63 L 4.4330 8.3606 117.1589 58.4329 41.3897 179.8736 64 R 2.6127 8.4717 118.7874 59.3387 29.5881 178.6265 65 Y 4.1443 7.5762 116.1171 61.5677 37.8361 178.0278 66 Y 4.5394 7.7256 117.6663 61.8978 37.8000 178.7039 67 Y 4.5179 8.2197 116.6386 60.3548 38.0633 178.4881 68 V 4.3166 8.9575 118.4357 61.7144 32.5257 176.5605 69 K 4.3053 8.6149 118.3305 55.4180 32.7599 175.9804 70 N 4.2308 7.9948 115.3405 55.0714 35.5941 173.9629 71 I 4.3226 7.2672 117.3483 61.9088 41.2870 177.5351 72 I 4.6459 7.6538 122.8708 60.6896 41.6722 174.8330 73 K 4.5411 9.0038 129.1168 53.2002 35.9373 172.8238 74 K 4.3450 7.8924 118.0976 56.1495 34.0829 176.4475 75 V 3.8943 8.0886 128.1234 61.3909 30.6694 175.0144 76 N 4.0869 8.6165 125.9289 54.0744 38.7140 171.8806 77 G 3.9119 8.6486 112.4453 47.1655 0.0000 174.7256 *78 Q 4.0430 7.8302 121.6524 54.4192 29.4836 179.5060 79 K 4.1786 8.6421 123.4903 53.9035 33.1522 175.3509 80 F 3.7764 7.5752 110.3624 59.3487 36.7334 175.3846 81 V 4.8858 7.1821 115.5115 59.0785 34.7025 174.6853 82 Y 5.0824 7.3634 122.0383 57.8988 42.5571 173.4141 83 K 4.7374 8.5301 118.0372 56.4287 36.3676 175.7311 84 F 4.2352 9.8607 127.5273 58.9357 38.7452 175.9268 85 V 3.2015 7.7200 116.0747 63.1611 29.7611 176.2381 86 S 4.7478 8.1686 119.1633 57.0797 64.5004 172.8416 87 Y 5.0666 8.4226 125.6709 55.4593 41.7472 173.0281 88 P 4.3006 0.0000 0.0000 61.8659 31.9686 177.5978 89 E 3.9971 8.3609 120.5701 59.2806 29.6097 178.7999 90 I 4.1159 7.2434 110.3531 63.2363 37.7735 176.9491 91 L 3.9186 7.8044 121.1175 57.0498 41.6676 178.1056 92 N 4.3595 8.2292 111.9498 54.1968 36.5790 174.2480 93 M 4.4192 7.8879 117.2975 57.4698 36.0041 176.2880 *137 S 4.2885 7.8710 112.9344 57.9444 63.8068 174.7166 138 R 4.5436 8.5497 123.6982 56.2956 32.3139 175.0048 139 N 4.3453 7.7279 114.1991 53.2436 39.3647 176.7950 140 D 4.3871 8.0209 120.5165 57.0302 41.3337 178.5873 141 Y 4.2768 7.6247 117.3134 59.6753 38.4481 178.2422 142 I 3.6770 6.4782 121.0521 64.1817 37.1031 176.5090 143 H 4.9344 7.2250 114.1930 55.7111 28.6098 176.3386 144 S 4.2608 7.7093 117.3155 59.2594 63.3250 175.4254 145 G 4.0120 8.6937 107.9352 45.3137 0.0000 173.4094 146 L 4.7137 7.7208 116.7502 54.0952 43.5691 176.2313 147 Y 4.7733 7.9320 119.3741 57.1337 39.8243 173.9131 148 S 4.2924 7.2856 117.1923 57.3483 65.4878 173.4107 149 S 4.2836 8.0080 117.7230 57.1284 65.0248 173.4067 150 F 4.8461 7.4176 120.3143 55.8961 39.5476 173.9120 151 T 4.0456 8.3983 118.6412 63.4425 69.0581 175.3769 152 L 4.1140 8.6676 126.9870 58.5177 41.9682 177.7549 153 N 4.2413 8.0777 113.6358 56.8450 38.8781 174.9094 154 S 4.3070 7.7405 118.7535 59.2597 62.9566 174.6478 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 3 S 8.33 4.36 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 4 A 8.38 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.50 4.35 2.05 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 1.66 0.92 1.04 0.00 0.00 6 T 7.94 4.65 4.69 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 1.51 0.00 0.00 7 L 9.11 4.16 0.00 2.15 2.11 -0.10 1.12 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 8 W 8.43 4.01 0.00 3.23 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 9 Q 6.56 3.18 0.00 1.60 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 10 F 7.72 4.09 0.00 2.82 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 11 L 8.15 3.80 0.00 1.66 1.74 0.96 0.41 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 12 L 7.92 3.69 0.00 2.10 1.72 0.73 0.65 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 13 Q 8.39 4.16 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 14 L 7.39 4.23 0.00 1.55 1.43 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.88 4.17 0.00 1.70 1.83 -0.79 0.60 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 16 Q 7.84 4.42 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 17 K 7.75 4.15 0.00 1.93 1.97 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 18 P 0.00 4.35 0.00 2.21 2.17 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 19 Q 7.53 4.18 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.35 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 20 N 7.77 5.01 0.00 2.64 2.66 0.00 0.00 7.13 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.52 4.49 0.00 1.71 1.85 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.55 7.81 22 H 8.91 4.98 0.00 3.20 3.46 0.00 5.40 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 7.87 4.52 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 24 I 7.70 5.58 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.57 0.87 0.00 0.00 25 C 8.65 4.91 0.00 3.07 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 26 W 8.51 5.00 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.11 4.39 4.36 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 1.27 0.00 0.00 28 S 7.72 4.88 0.00 3.92 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 29 N 8.66 4.95 0.00 2.74 2.76 0.00 0.00 6.80 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.27 4.92 0.00 2.89 2.83 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 31 G 8.62 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 32 Q 8.15 5.17 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 33 F 8.59 4.57 0.00 2.81 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.79 4.58 0.00 1.74 1.57 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.56 7.81 35 L 8.93 4.68 0.00 1.77 1.61 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.74 3.61 0.00 1.57 1.65 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.55 3.86 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 38 A 6.78 3.90 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 39 E 7.92 3.96 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 40 E 8.21 3.93 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 41 V 7.97 3.34 2.29 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 0.98 0.00 0.00 0.94 0.00 0.00 42 A 8.38 4.39 1.52 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 43 R 8.27 3.68 0.00 2.21 2.09 0.00 3.59 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 44 L 8.84 4.32 0.00 1.97 2.10 1.00 1.00 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 45 W 9.36 4.84 0.00 3.42 3.17 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 46 G 8.10 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.35 3.73 1.92 0.00 0.00 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 1.57 0.71 1.02 0.00 0.00 48 R 7.11 4.10 0.00 1.70 1.82 0.00 3.51 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 49 K 7.71 3.61 0.00 1.44 1.56 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.18 1.07 7.81 50 N 6.58 3.92 0.00 2.80 2.79 0.00 0.00 6.12 7.13 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 51 K 8.55 4.57 0.00 1.55 1.57 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.23 7.81 52 P 0.00 4.11 0.00 2.16 2.21 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 53 N 7.83 4.62 0.00 2.71 2.90 0.00 0.00 6.84 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 54 M 8.78 3.83 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.42 0.00 55 N 8.45 5.24 0.00 3.19 3.05 0.00 0.00 5.84 7.57 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 56 Y 9.00 4.30 0.00 3.16 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.15 4.51 0.00 2.70 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 58 K 8.21 4.28 0.00 2.02 1.82 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 59 L 7.98 4.27 0.00 2.01 1.83 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.94 3.77 0.00 3.63 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 61 R 7.82 3.52 0.00 1.74 1.97 0.00 2.86 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.00 62 A 7.96 3.99 1.51 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 0.00 0.00 63 L 8.36 4.43 0.00 1.90 1.81 0.34 0.88 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 64 R 8.47 2.61 0.00 1.38 1.29 0.00 2.78 0.00 0.00 2.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.65 0.00 65 Y 7.58 4.14 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.73 4.54 0.00 3.33 3.07 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 67 Y 8.22 4.52 0.00 2.92 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 68 V 8.96 4.32 2.17 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 0.90 0.00 0.00 0.98 0.00 0.00 69 K 8.61 4.31 0.00 1.84 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 70 N 7.99 4.23 0.00 2.82 2.82 0.00 0.00 6.82 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.27 4.32 1.77 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.23 0.05 0.00 0.00 72 I 7.65 4.65 1.80 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.06 0.90 0.00 0.00 73 K 9.00 4.54 0.00 1.40 1.67 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.21 7.81 74 K 7.89 4.34 0.00 1.36 1.44 0.00 1.29 0.00 0.00 1.32 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.34 7.81 75 V 8.09 3.89 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 0.73 0.00 0.00 1.00 0.00 0.00 76 N 8.62 4.09 0.00 2.70 2.74 0.00 0.00 7.23 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 77 G 8.65 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 0.00 0.00 0.00 *78 Q 7.83 4.04 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.96 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 79 K 8.64 4.18 0.00 1.68 1.75 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.03 7.81 80 F 7.58 3.78 0.00 3.01 3.32 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 81 V 7.18 4.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.91 0.00 0.00 82 Y 7.36 5.08 0.00 3.12 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 83 K 8.53 4.74 0.00 1.92 1.74 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.57 7.81 84 F 9.86 4.24 0.00 2.76 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 85 V 7.72 3.20 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 0.64 0.00 0.00 1.02 0.00 0.00 86 S 8.17 4.75 0.00 3.91 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 87 Y 8.42 5.07 0.00 2.87 3.07 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 88 P 0.00 4.30 0.00 1.65 0.61 0.00 3.34 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 89 E 8.36 4.00 0.00 1.97 2.05 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 2.33 2.37 0.00 90 I 7.24 4.12 2.33 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.85 1.15 0.00 0.00 91 L 7.80 3.92 0.00 1.79 1.71 0.69 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.23 4.36 0.00 2.89 2.91 0.00 0.00 6.57 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 93 M 7.89 4.42 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 *137 S 7.87 4.29 0.00 3.70 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.55 4.54 0.00 1.71 1.90 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 139 N 7.73 4.35 0.00 2.61 2.18 0.00 0.00 7.16 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 0.00 140 D 8.02 4.39 0.00 2.71 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 0.00 141 Y 7.62 4.28 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 6.48 3.68 1.36 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.36 0.87 0.00 0.00 143 H 7.22 4.93 0.00 3.21 3.27 0.00 5.65 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 7.71 4.26 0.00 3.98 4.22 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 0.00 145 G 8.69 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 0.00 146 L 7.72 4.71 0.00 1.74 1.74 0.97 0.63 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 0.00 147 Y 7.93 4.77 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.29 4.29 0.00 3.79 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 0.00 149 S 8.01 4.28 0.00 3.58 3.53 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 0.00 150 F 7.42 4.85 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 0.00 151 T 8.40 4.05 4.32 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 1.28 0.00 0.00 152 L 8.67 4.11 0.00 1.61 1.73 0.93 1.01 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 0.00 153 N 8.08 4.24 0.00 2.76 2.87 0.00 0.00 6.89 7.57 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 0.00 154 S 7.74 4.31 0.00 4.28 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 * Residues marked with a * may have inaccurate shift predictions.