NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2592 8.2393 120.8593 55.3840 31.5348 175.4607 7 P 4.2125 0.0000 0.0000 60.9528 32.0078 173.8166 8 K 4.3303 8.5307 120.7538 54.7749 33.6007 176.8690 9 V 4.3227 8.1848 126.5832 61.9823 32.8908 175.4233 10 T 4.6909 8.4035 116.0414 59.3261 72.7192 175.0916 11 K 3.8489 8.6183 121.7606 59.8095 31.9318 178.7965 12 S 4.0563 7.9706 112.8947 61.3435 62.4269 175.5281 13 D 4.3434 7.8308 121.1078 57.5162 40.6010 178.7379 14 I 3.6656 7.9108 120.3189 64.6030 37.2646 178.5303 15 V 3.6443 7.7869 118.8179 66.1249 31.2098 177.8893 16 D 4.3333 8.0736 118.5944 57.4535 40.7242 178.7048 17 Q 3.9897 8.3374 118.9485 59.0930 28.6181 178.9973 18 I 3.8724 8.3107 120.9871 63.9079 37.0030 178.3892 19 A 3.9432 7.7239 121.4121 55.4737 18.2353 179.1785 20 L 3.8531 8.0457 117.5365 57.6393 41.4471 179.0393 21 N 4.1303 8.5919 117.5040 57.2734 38.9050 176.7703 22 I 3.8439 8.0110 121.0241 64.3507 37.1807 178.6083 23 K 4.7503 7.9463 120.6324 58.6607 31.7191 178.9553 24 N 4.3956 8.4282 116.5140 55.1523 38.9763 175.0671 25 N 4.8432 7.5977 117.4907 55.1649 39.4334 174.7150 26 N 4.1481 7.9181 111.3672 54.3331 37.2072 174.4986 27 L 4.8664 7.2040 117.1289 52.9081 46.3540 176.4695 28 K 4.7283 8.5068 119.4058 54.5910 34.9683 175.7956 29 L 4.8449 8.3070 124.8620 52.8073 45.2744 175.6401 30 E 3.9706 8.7517 125.3995 55.9282 30.1445 177.8738 31 K 3.7721 8.7401 123.0049 59.5574 31.9622 178.8871 32 K 3.7106 7.7502 119.2078 60.0816 31.9562 178.3035 33 Y 4.4248 7.3532 116.5064 60.8251 37.6779 178.6770 34 I 3.6956 7.5750 120.5257 64.5265 37.3879 178.2371 35 R 3.9168 8.3368 119.3058 59.1896 29.8932 178.7919 36 L 3.9322 7.9961 119.8878 58.1713 42.0889 179.0921 37 V 3.5664 7.9584 118.0950 66.2992 31.4978 177.7494 38 I 3.4128 7.7967 119.4119 64.7167 36.8613 178.1817 39 D 4.5041 8.2648 119.2625 57.3645 40.7378 178.6831 40 A 4.0116 8.1694 121.3514 54.7987 18.3291 179.2869 41 F 3.9391 8.7573 119.7538 61.6726 39.3532 177.4830 42 F 4.2015 7.8950 117.1706 60.3618 38.7243 177.0935 43 E 3.9270 8.4346 119.0251 59.6608 29.5209 178.7129 44 E 3.9412 8.6596 118.6743 59.4076 29.3924 179.3537 45 L 3.8055 7.6826 120.3117 57.6918 41.9864 179.1088 46 K 3.9506 8.2169 118.9156 59.5729 32.0968 179.4205 47 S 4.1249 8.0736 114.4179 61.6481 62.7845 176.2338 48 N 4.3402 8.1061 119.8953 56.0219 38.2381 177.4141 49 L 4.0453 8.1360 120.6511 58.0187 41.5147 179.2159 50 C 4.2222 8.2134 116.0042 62.9058 28.1590 175.7189 51 S 4.2842 7.9330 113.3266 58.0025 63.1247 173.3632 52 N 4.1462 8.2020 119.7685 54.7972 37.3022 172.4313 53 N 4.8971 7.8985 114.7554 51.9514 41.7090 175.9230 54 V 4.5091 8.1469 118.8364 61.5568 33.8613 174.5206 55 I 4.2760 8.4100 129.1036 59.7857 38.9371 174.4130 56 E 4.7690 8.4418 127.5345 54.4272 32.1742 175.3244 57 F 4.9837 9.0678 125.9865 54.9878 40.4927 174.3740 58 R 4.0178 8.6466 121.1448 58.1613 30.4846 177.0491 59 S 4.1238 9.3289 115.5628 59.2528 60.2981 170.8175 60 F 4.7318 8.9433 121.1015 58.2383 42.1942 174.8821 61 G 3.9685 7.1773 104.9677 46.3477 0.0000 170.4243 62 T 5.4592 7.6811 116.1374 61.7115 72.4879 173.5226 63 F 5.5411 9.2421 123.8953 56.1388 41.9780 174.4975 64 E 5.0850 8.8645 118.0665 55.9038 33.2301 174.1381 65 V 4.7770 8.4537 120.5597 61.7870 33.0329 175.1199 66 R 4.7937 8.8784 125.7487 54.2795 33.7473 175.1114 67 K 4.5864 8.5244 121.0557 56.0641 33.8081 176.6662 68 R 4.5501 8.5407 121.3443 54.2363 34.1335 174.9142 69 K 4.5931 8.2580 123.9731 55.9528 32.8813 177.5842 70 G 4.0228 8.8797 111.7714 46.5020 0.0000 171.3561 71 R 4.8358 8.7814 117.6558 55.4095 34.7862 176.0860 72 L 4.6743 8.4897 115.5251 55.6742 44.2188 178.7555 73 N 4.5507 8.4149 114.1279 54.8837 38.9007 175.0134 74 A 3.9810 7.2378 121.0965 52.5980 18.9913 176.6607 75 R 4.6988 8.0083 118.4733 54.1784 33.8459 175.4697 76 N 4.5848 8.3243 120.6450 51.9425 38.1280 173.8679 77 P 4.2088 0.0000 0.0000 65.9255 31.8337 178.2713 78 Q 4.1030 8.3279 116.4498 58.8852 28.6653 177.4247 79 T 4.2443 8.1359 104.9480 61.1262 70.0434 175.7151 80 G 3.9167 8.6521 110.1690 44.8704 0.0000 173.3889 81 E 4.1818 7.8917 120.4246 56.4980 30.4185 176.2347 82 Y 4.2533 9.1295 123.0368 58.3300 38.3864 176.0330 83 V 4.5682 8.9276 123.9204 59.7380 34.3692 174.7573 84 K 4.7600 8.5736 123.1285 54.9722 34.1022 175.4764 85 V 4.4492 8.3661 126.0427 61.0908 34.3915 174.9072 86 L 4.6643 8.5626 127.3343 53.9690 43.0736 176.3391 87 D 4.8086 8.6472 121.3834 55.3586 41.9356 175.3877 88 H 5.0869 8.9138 118.9930 54.7322 32.1766 171.6146 89 H 5.5435 8.9724 113.6143 54.5441 32.2992 173.6250 90 V 4.7070 8.8238 119.1650 59.9410 35.2824 174.0927 91 A 4.6920 8.7131 124.3184 51.8846 19.4607 176.1596 92 Y 4.6548 9.2285 123.9123 55.6540 42.1837 173.7599 93 F 4.7770 8.2038 128.6055 56.5095 41.1447 174.7846 94 R 4.1609 8.4907 128.4496 53.4649 31.0945 172.7904 95 P 3.7286 0.0000 0.0000 62.6636 32.0380 177.1994 96 G 4.0164 8.1054 108.5157 43.3821 0.0000 173.8556 97 K 3.8433 8.6002 119.5384 59.9456 31.9246 177.5922 98 D 4.3952 8.1658 116.9644 57.6012 41.2752 178.5290 99 L 3.9597 7.3860 117.2576 58.2716 42.0365 178.8492 100 K 4.0109 8.8666 120.1214 59.5437 31.8137 178.2284 101 E 4.1782 8.3759 118.0333 58.6221 29.7292 178.5886 102 R 4.1736 8.2209 117.0524 57.9841 30.2967 177.9632 103 V 4.1336 7.5057 116.1724 63.8756 32.2738 176.5916 104 W 4.4812 7.8967 127.4860 59.7540 31.1505 176.9825 105 G 4.0384 8.0274 115.0331 44.0276 0.0000 171.9294 106 I 4.5566 7.7684 127.6678 59.5768 40.6317 176.8054 *107 K 4.1989 8.6091 123.9557 54.9312 31.6067 175.8790 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 6 R 8.24 4.26 0.00 1.78 1.98 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 7 P 0.00 4.21 0.00 2.30 2.03 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 8 K 8.53 4.33 0.00 1.71 1.75 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 9 V 8.18 4.32 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 0.90 0.00 0.00 0.93 0.00 0.00 10 T 8.40 4.69 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 11 K 8.62 3.85 0.00 1.92 1.91 0.00 1.96 0.00 0.00 1.98 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.63 7.81 12 S 7.97 4.06 0.00 3.93 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 13 D 7.83 4.34 0.00 2.86 2.70 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 14 I 7.91 3.67 1.89 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 1.62 0.85 0.88 0.00 0.00 15 V 7.79 3.64 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 1.01 0.00 0.00 0.99 0.00 0.00 16 D 8.07 4.33 0.00 3.02 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 17 Q 8.34 3.99 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 18 I 8.31 3.87 1.96 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 1.37 0.77 0.84 0.00 0.00 19 A 7.72 3.94 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 20 L 8.05 3.85 0.00 1.88 1.68 0.91 0.41 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 21 N 8.59 4.13 0.00 2.63 3.05 0.00 0.00 7.41 7.97 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 22 I 8.01 3.84 2.08 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 1.50 0.84 0.91 0.00 0.00 23 K 7.95 4.75 0.00 1.91 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.46 7.81 24 N 8.43 4.40 0.00 2.82 2.90 0.00 0.00 6.89 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 25 N 7.60 4.84 0.00 2.68 2.78 0.00 0.00 7.25 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 26 N 7.92 4.15 0.00 2.78 2.86 0.00 0.00 6.59 7.54 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 27 L 7.20 4.87 0.00 1.85 1.49 0.92 0.60 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 28 K 8.51 4.73 0.00 1.70 1.69 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 29 L 8.31 4.84 0.00 1.56 1.51 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.75 3.97 0.00 1.16 1.21 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 2.13 2.23 0.00 31 K 8.74 3.77 0.00 1.70 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.47 7.81 32 K 7.75 3.71 0.00 1.57 1.17 0.00 1.59 0.00 0.00 1.45 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 33 Y 7.35 4.42 0.00 3.08 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 34 I 7.58 3.70 1.99 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 1.64 0.80 0.92 0.00 0.00 35 R 8.34 3.92 0.00 1.97 2.01 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 36 L 8.00 3.93 0.00 1.94 1.88 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.96 3.57 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 0.91 0.00 0.00 0.96 0.00 0.00 38 I 7.80 3.41 2.01 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.56 0.84 0.00 0.00 39 D 8.26 4.50 0.00 2.91 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 40 A 8.17 4.01 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 41 F 8.76 3.94 0.00 2.97 2.84 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 42 F 7.89 4.20 0.00 3.21 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 43 E 8.43 3.93 0.00 2.18 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 0.00 2.32 2.41 0.00 44 E 8.66 3.94 0.00 2.06 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 2.51 2.46 0.00 45 L 7.68 3.81 0.00 1.26 1.51 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.22 3.95 0.00 2.09 1.84 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 47 S 8.07 4.12 0.00 4.05 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 48 N 8.11 4.34 0.00 3.03 2.89 0.00 0.00 7.01 6.73 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 49 L 8.14 4.05 0.00 1.88 1.78 1.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.21 4.22 0.00 3.07 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 51 S 7.93 4.28 0.00 3.99 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 52 N 8.20 4.15 0.00 2.74 2.83 0.00 0.00 7.05 7.60 0.00 0.00 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 N 7.90 4.90 0.00 2.80 2.75 0.00 0.00 6.53 7.69 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 54 V 8.15 4.51 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 0.92 0.00 0.00 0.95 0.00 0.00 55 I 8.41 4.28 1.93 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 1.05 0.32 0.44 0.00 0.00 56 E 8.44 4.77 0.00 1.91 1.73 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 2.20 2.35 0.00 57 F 9.07 4.98 0.00 3.52 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 58 R 8.65 4.02 0.00 1.89 1.99 0.00 3.50 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 59 S 9.33 4.12 0.00 4.19 4.10 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 60 F 8.94 4.73 0.00 3.10 3.49 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 61 G 7.18 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 62 T 7.68 5.46 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 1.32 0.00 0.00 63 F 9.24 5.54 0.00 3.17 3.16 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 0.00 64 E 8.86 5.08 0.00 2.04 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 2.29 2.28 0.00 65 V 8.45 4.78 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 0.88 0.00 0.00 1.03 0.00 0.00 66 R 8.88 4.79 0.00 1.73 1.67 0.00 2.63 0.00 0.00 2.71 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 67 K 8.52 4.59 0.00 1.57 1.61 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.47 7.81 68 R 8.54 4.55 0.00 1.31 1.66 0.00 3.28 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 69 K 8.26 4.59 0.00 1.63 1.75 0.00 1.82 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.23 7.81 70 G 8.88 4.02 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 0.00 0.00 0.00 71 R 8.78 4.84 0.00 1.73 1.91 0.00 3.07 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 72 L 8.49 4.67 0.00 1.71 1.70 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.41 4.55 0.00 2.73 2.89 0.00 0.00 6.82 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 74 A 7.24 3.98 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 75 R 8.01 4.70 0.00 1.62 1.63 0.00 2.97 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.40 0.00 76 N 8.32 4.58 0.00 2.66 2.71 0.00 0.00 7.16 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 77 P 0.00 4.21 0.00 2.06 2.10 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 78 Q 8.33 4.10 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 79 T 8.14 4.24 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 80 G 8.65 3.92 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 0.00 0.00 0.00 81 E 7.89 4.18 0.00 2.01 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 2.37 2.32 0.00 82 Y 9.13 4.25 0.00 2.81 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 83 V 8.93 4.57 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 0.67 0.00 0.00 0.93 0.00 0.00 84 K 8.57 4.76 0.00 1.80 1.74 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.57 7.81 85 V 8.37 4.45 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 0.97 0.00 0.00 0.91 0.00 0.00 86 L 8.56 4.66 0.00 1.58 1.59 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.65 4.81 0.00 2.69 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 88 H 8.91 5.09 0.00 3.19 3.38 0.00 5.20 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 89 H 8.97 5.54 0.00 3.05 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.82 4.71 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 0.80 0.00 0.00 1.02 0.00 0.00 91 A 8.71 4.69 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 92 Y 9.23 4.65 0.00 3.09 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 F 8.20 4.78 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.16 0.00 1.93 1.66 0.00 3.26 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 95 P 0.00 3.73 0.00 1.95 1.92 0.00 3.48 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 96 G 8.11 4.02 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 0.00 0.00 0.00 97 K 8.60 3.84 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.52 7.81 98 D 8.17 4.40 0.00 2.88 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 99 L 7.39 3.96 0.00 1.88 1.77 0.96 0.17 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 0.00 100 K 8.87 4.01 0.00 1.87 2.04 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.58 1.69 7.81 101 E 8.38 4.18 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 2.26 2.60 0.00 102 R 8.22 4.17 0.00 1.87 2.04 0.00 3.27 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 103 V 7.51 4.13 2.28 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 0.83 0.00 0.00 0.96 0.00 0.00 104 W 7.90 4.48 0.00 3.65 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 0.00 105 G 8.03 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 0.00 0.00 0.00 106 I 7.77 4.56 1.94 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 1.29 0.84 0.90 0.00 0.00 *107 K 8.61 4.20 0.00 1.78 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.