NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5243 8.1693 120.6424 55.1497 43.1265 175.5894 8 H 4.8860 8.3953 115.1665 53.5889 31.5343 171.3997 9 K 4.4811 9.5110 122.1325 56.2902 33.4760 177.2989 10 E 5.0024 9.0536 123.9016 53.5453 33.0769 174.0242 11 P 4.9288 0.0000 0.0000 63.5126 32.2606 174.8962 12 A 4.9050 8.2753 121.0216 51.5726 23.0304 175.7261 13 T 4.6177 8.4322 114.7274 61.3751 72.3358 173.6985 14 L 4.1422 8.6884 128.7127 55.6884 42.2427 176.0342 15 I 4.2512 8.5539 127.4797 62.7136 38.7648 176.4198 16 K 4.3564 7.4423 119.2472 55.3097 35.3007 174.7034 17 A 4.4406 8.8984 130.5555 52.5391 19.0714 175.5309 18 I 4.4343 7.9737 118.5656 61.7173 39.8708 175.8628 19 D 4.5557 7.7805 117.0076 53.1171 42.1059 174.6282 20 G 3.8662 9.1549 107.5633 49.2347 0.0000 174.1760 21 D 4.7729 8.0739 117.9937 52.9023 40.3613 175.3066 22 T 5.8604 8.2285 109.6890 59.6006 72.9071 172.9998 23 V 4.5307 8.1043 119.5263 60.6430 34.8827 172.1500 24 K 4.9839 8.7285 124.0505 55.0339 33.7648 175.0947 25 L 5.2475 9.3934 126.9803 53.1282 46.5621 175.4265 26 M 4.7993 9.3059 121.9129 54.7090 33.5830 174.1087 27 Y 5.0196 9.0333 128.7439 55.8745 41.5324 175.8552 28 K 3.3708 9.4112 127.4635 57.5614 29.5857 176.2795 29 G 3.9996 8.3917 104.3982 45.5243 0.0000 173.4040 30 Q 4.8152 7.7751 118.8644 52.8690 32.6305 173.2374 31 P 4.8504 0.0000 0.0000 63.6257 32.2989 175.2792 32 M 4.7365 9.2596 121.2479 54.7873 36.3968 172.8970 33 T 4.9912 8.4305 119.8580 60.7045 69.8870 172.9573 34 F 5.2074 9.4656 126.8504 55.6564 42.2036 174.2698 35 R 4.9864 8.9982 123.0683 54.2287 32.0654 175.1512 36 L 4.4217 8.7207 127.7459 54.8050 42.2756 177.4189 37 L 3.8956 8.6808 124.4736 55.3476 42.9323 177.3053 38 L 3.7591 8.7287 119.6777 55.5720 39.5782 174.0703 39 V 4.9393 7.3394 109.1911 59.6619 35.4623 175.1886 40 D 4.9094 9.2159 124.0236 52.9633 43.4354 175.4807 41 T 4.7567 8.3418 113.7045 59.1583 71.0276 172.8715 42 P 4.4657 0.0000 0.0000 62.3706 32.1364 175.8451 43 E 4.2667 9.2401 123.9723 55.9612 30.2739 176.8205 44 T 4.3833 8.3766 112.4884 61.1529 70.4956 173.8806 45 K 4.3355 7.6607 123.1243 55.7528 32.1288 177.5011 *51 V 3.8843 7.3787 117.8831 62.8169 32.1673 175.1828 52 E 4.2564 9.6835 127.8504 55.0504 31.2669 175.8929 53 K 3.8820 8.2966 122.9042 57.5064 32.6428 176.1136 54 Y 4.4934 7.8362 123.1089 59.7855 35.4530 171.8233 55 G 3.6031 8.1870 108.5367 47.3513 0.0000 174.8731 56 P 4.3692 0.0000 0.0000 64.9442 31.3249 178.2636 57 E 3.9594 8.2102 117.9509 59.4257 29.5446 178.6835 58 A 4.0100 7.7626 120.7645 55.5158 18.3389 179.9359 59 S 4.1756 8.0703 112.7664 61.6058 62.8882 176.7019 60 A 4.0002 8.3759 123.8449 55.1199 18.1324 179.1259 61 F 3.9605 8.6549 119.7575 61.9694 39.4335 177.5641 62 T 3.5603 8.1881 109.1904 64.2506 68.5085 176.2277 63 K 3.9850 8.2394 122.6361 59.5426 32.2461 178.9142 64 K 3.9302 8.0847 118.6733 59.4798 31.6717 179.0474 65 M 3.7485 7.3009 117.5708 58.6862 31.8782 177.7401 66 Y 4.4032 7.7402 116.7885 61.3615 37.9425 178.2019 67 E 4.0670 8.0719 117.9524 59.3016 29.7001 178.1615 68 N 4.4909 8.0402 114.5455 54.6112 39.0767 175.6235 69 A 4.4619 7.3247 120.5918 51.9655 19.0788 177.6802 70 K 4.2364 8.9873 120.9914 58.1500 32.8430 178.0156 71 K 4.7604 8.8594 117.8350 54.4600 36.0855 175.6796 72 I 5.1541 8.3854 123.9585 59.6537 40.8005 174.3147 73 E 5.1618 9.1824 124.3260 54.7532 34.1348 174.7511 74 V 4.4569 8.9243 116.3052 59.4246 34.8519 174.5447 75 E 4.9291 9.0495 125.6839 54.2491 31.9214 174.9683 76 F 4.4733 8.7925 125.8529 57.6977 39.9857 175.8087 77 D 5.0057 8.5879 121.4811 53.5109 43.2286 175.7153 78 K 4.4362 9.0333 117.0471 57.3919 33.7908 177.4038 79 G 4.3755 8.1378 111.4049 44.2626 0.0000 173.3364 80 Q 4.1375 8.5535 120.7211 56.3452 29.4275 176.6044 81 R 4.5217 8.5860 120.2419 57.2679 30.9321 176.2733 82 T 5.0978 7.5335 107.2612 59.6662 71.8646 173.5618 83 D 4.8052 8.6660 124.4683 51.9115 41.1325 177.1156 84 K 3.8632 8.4163 117.3917 59.8399 32.3698 177.0927 85 Y 4.3676 7.9530 115.5231 57.6331 37.7552 176.0743 86 G 3.9073 8.0913 107.4012 45.7731 0.0000 173.9751 87 R 4.3965 8.4046 119.6577 54.7650 31.8923 176.3872 88 G 3.6158 8.1985 110.9839 46.2129 0.0000 172.5175 89 L 5.3056 8.9644 124.7774 53.3077 42.9196 175.5049 90 A 4.4299 8.3358 124.6477 51.0328 23.6632 173.7410 91 Y 4.7748 8.5531 116.7222 56.8275 39.9664 175.4697 92 I 4.9402 8.7373 124.3864 59.6624 40.7283 174.1014 93 Y 5.1780 9.3019 123.4730 56.0965 41.3105 174.6703 94 A 4.9594 8.9764 125.1039 50.1526 21.5600 176.1981 95 D 4.3127 9.9534 125.0694 56.0865 38.9527 175.6948 96 G 3.9915 8.4301 105.6580 45.3870 0.0000 173.6579 97 K 4.4532 7.9650 120.6008 54.8925 33.5125 175.4596 98 M 3.9446 8.5294 123.6301 55.0262 33.0012 176.8674 99 V 3.5470 8.7550 127.5287 65.9907 31.7012 177.5456 100 N 4.3038 8.0359 115.7904 56.4068 38.4484 176.7735 101 E 3.8785 8.0579 119.6778 59.2073 29.8787 178.2113 102 A 4.0453 8.0747 120.8278 55.3023 18.3689 179.6116 103 L 3.4130 8.0141 117.1263 57.7662 41.6882 179.7932 104 V 3.8233 7.4098 118.9184 65.6124 31.2743 178.0187 105 R 4.0778 8.3453 117.1321 59.1840 29.9479 177.2622 106 Q 4.2292 7.7947 116.6942 55.3339 29.4064 175.6368 107 G 3.9708 8.2232 107.1354 47.5378 0.0000 174.6218 108 L 4.4163 7.4426 116.4390 53.4662 41.9225 176.1681 109 A 4.4289 7.2403 118.3531 51.3672 22.2559 176.1807 110 K 4.6596 8.3663 119.3841 54.4970 35.4489 175.9043 111 V 4.3104 8.6086 122.3889 62.9172 31.9332 175.8031 112 A 4.5012 8.5005 129.9433 50.6646 20.3334 176.6494 113 Y 4.2546 8.4073 116.5972 57.5977 38.6293 176.8327 114 V 3.7844 8.4303 121.9694 63.3236 32.3910 174.7623 115 Y 4.5526 8.5057 126.3929 56.7514 40.8843 175.7493 116 K 3.6895 9.2110 128.6298 57.4185 29.7119 176.2395 117 G 4.0369 8.2312 105.2210 45.6183 0.0000 174.3519 118 N 4.8603 7.9540 118.2983 51.9975 37.1660 174.0755 119 N 5.1768 8.1966 115.3528 52.3379 38.9646 177.0016 120 T 3.8121 8.5369 117.4758 67.4444 68.7130 174.7897 121 H 4.8173 8.1622 116.1448 55.6677 29.1622 176.3928 122 E 4.0149 8.2634 123.5005 59.7366 29.2292 179.1373 123 Q 3.9680 8.0216 117.3712 58.7424 28.9147 177.9717 124 L 3.9262 7.9710 120.8923 58.4690 41.9894 179.0311 125 L 4.0301 8.1010 118.6811 57.5836 41.4578 179.3491 126 R 3.8725 8.1358 118.8855 59.3660 29.9111 178.7969 127 K 3.8873 8.2984 118.0309 59.4078 32.1249 178.9756 128 A 3.9467 7.8547 121.0086 55.3490 18.2510 179.3281 129 E 3.8960 8.4921 117.5811 59.3331 29.6462 178.8339 130 A 3.7408 8.0705 120.9498 55.0346 18.4136 179.3891 131 Q 3.7634 8.2258 117.9567 59.3234 29.1095 178.3646 132 A 3.9908 7.9696 121.7610 54.8688 18.3457 179.5877 133 K 2.8657 7.5068 118.1132 59.1411 31.9168 178.8579 134 K 3.8187 7.7108 118.8535 59.4432 32.1391 177.6396 135 E 4.2227 7.8869 115.4646 55.3543 30.0300 176.3636 136 K 4.0483 8.1228 118.2301 57.0978 30.7284 175.0071 137 L 4.2305 8.2890 119.8821 56.0781 44.6414 176.7063 138 N 3.4290 9.2347 121.1869 53.8887 38.4309 176.5416 139 I 2.7623 5.4200 128.1099 64.7689 37.4956 176.4881 140 W 4.7859 7.9245 117.8503 56.5983 29.0578 176.5556 141 S 4.4789 8.8747 122.1371 59.0711 62.1931 174.1198 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 7 L 8.17 4.52 0.00 1.73 1.80 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.40 4.89 0.00 3.22 3.22 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.51 4.48 0.00 1.59 1.77 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.12 1.27 7.81 10 E 9.05 5.00 0.00 2.12 2.06 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 2.35 2.23 0.00 11 P 0.00 4.93 0.00 2.11 2.09 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 12 A 8.28 4.91 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 13 T 8.43 4.62 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 1.22 0.00 0.00 14 L 8.69 4.14 0.00 1.62 1.57 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.55 4.25 2.00 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 1.13 0.73 0.92 0.00 0.00 16 K 7.44 4.36 0.00 1.78 1.59 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.39 7.81 17 A 8.90 4.44 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 18 I 7.97 4.43 2.04 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 1.47 0.89 0.91 0.00 0.00 19 D 7.78 4.56 0.00 2.73 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 20 G 9.15 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 0.00 0.00 0.00 21 D 8.07 4.77 0.00 2.87 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 22 T 8.23 5.86 4.31 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 1.20 0.00 0.00 23 V 8.10 4.53 1.75 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 0.40 0.00 0.00 0.14 0.00 0.00 24 K 8.73 4.98 0.00 1.89 1.89 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.46 7.81 25 L 9.39 5.25 0.00 1.76 1.60 0.65 0.02 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 26 M 9.31 4.80 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 27 Y 9.03 5.02 0.00 3.34 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 28 K 9.41 3.37 0.00 1.48 1.60 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.59 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.92 0.21 7.81 29 G 8.39 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 0.00 0.00 0.00 0.00 30 Q 7.78 4.82 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 31 P 0.00 4.85 0.00 2.10 2.09 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 M 9.26 4.74 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.63 0.00 33 T 8.43 4.99 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 1.19 0.00 0.00 34 F 9.47 5.21 0.00 2.87 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 35 R 9.00 4.99 0.00 1.84 1.74 0.00 3.36 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 36 L 8.72 4.42 0.00 1.57 1.61 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.68 3.90 0.00 0.89 1.24 0.25 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.73 3.76 0.00 1.98 1.80 1.22 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.34 4.94 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 0.77 0.00 0.00 0.98 0.00 0.00 40 D 9.22 4.91 0.00 2.50 2.54 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 41 T 8.34 4.76 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 1.25 0.00 0.00 42 P 0.00 4.47 0.00 2.33 2.11 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 43 E 9.24 4.27 0.00 2.10 1.84 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 2.26 2.26 0.00 44 T 8.38 4.38 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 1.22 0.00 0.00 45 K 7.66 4.34 0.00 1.68 1.74 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.36 7.81 *51 V 7.38 3.88 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 0.81 0.00 0.00 0.95 0.00 0.00 52 E 9.68 4.26 0.00 1.88 1.83 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 2.30 2.36 0.00 53 K 8.30 3.88 0.00 1.59 1.61 0.00 1.26 0.00 0.00 1.43 0.00 0.00 2.18 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.12 0.50 7.81 54 Y 7.84 4.49 0.00 3.17 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 55 G 8.19 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.37 0.00 2.28 2.32 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 57 E 8.21 3.96 0.00 2.35 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 0.00 2.62 2.53 0.00 58 A 7.76 4.01 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 59 S 8.07 4.18 0.00 4.07 3.96 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 60 A 8.38 4.00 1.43 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 0.00 0.00 61 F 8.65 3.96 0.00 3.20 3.25 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 0.00 62 T 8.19 3.56 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 1.41 0.00 0.00 63 K 8.24 3.99 0.00 2.04 2.08 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.54 7.81 64 K 8.08 3.93 0.00 1.74 1.72 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.66 7.81 65 M 7.30 3.75 0.00 1.47 1.62 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 66 Y 7.74 4.40 0.00 3.07 2.85 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 67 E 8.07 4.07 0.00 2.08 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 0.00 2.38 2.44 0.00 68 N 8.04 4.49 0.00 2.79 2.83 0.00 0.00 7.00 7.50 0.00 0.00 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 A 7.32 4.46 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 70 K 8.99 4.24 0.00 1.93 1.88 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.40 7.81 71 K 8.86 4.76 0.00 1.65 1.67 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 72 I 8.39 5.15 2.06 0.00 0.00 1.00 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 1.50 0.95 0.00 0.00 73 E 9.18 5.16 0.00 1.94 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 2.28 0.00 74 V 8.92 4.46 1.25 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 -0.02 0.00 0.00 0.61 0.00 0.00 75 E 9.05 4.93 0.00 2.17 2.33 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 2.48 2.39 0.00 76 F 8.79 4.47 0.00 3.07 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 77 D 8.59 5.01 0.00 2.76 3.10 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 78 K 9.03 4.44 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.43 7.81 79 G 8.14 4.38 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 0.00 80 Q 8.55 4.14 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 81 R 8.59 4.52 0.00 1.68 1.64 0.00 3.26 0.00 0.00 3.55 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.00 82 T 7.53 5.10 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 1.19 0.00 0.00 83 D 8.67 4.81 0.00 2.83 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 84 K 8.42 3.86 0.00 1.56 1.83 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.37 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 0.21 7.81 85 Y 7.95 4.37 0.00 3.09 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 86 G 8.09 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 87 R 8.40 4.40 0.00 1.97 1.86 0.00 3.10 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 88 G 8.20 3.62 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 0.00 0.00 0.00 89 L 8.96 5.31 0.00 1.61 1.66 0.99 0.51 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 90 A 8.34 4.43 0.76 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 0.00 0.00 91 Y 8.55 4.77 0.00 3.13 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 92 I 8.74 4.94 1.89 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.66 0.98 0.00 0.00 93 Y 9.30 5.18 0.00 2.80 2.85 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 94 A 8.98 4.96 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 0.00 0.00 0.00 0.00 0.00 95 D 9.95 4.31 0.00 2.78 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 96 G 8.43 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 97 K 7.97 4.45 0.00 2.02 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 98 M 8.53 3.94 0.00 1.88 1.62 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.33 0.00 99 V 8.76 3.55 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 0.81 0.00 0.00 0.72 0.00 0.00 100 N 8.04 4.30 0.00 2.90 2.93 0.00 0.00 6.78 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 0.00 101 E 8.06 3.88 0.00 1.97 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 2.36 2.36 0.00 102 A 8.07 4.05 1.62 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 0.00 0.00 103 L 8.01 3.41 0.00 1.86 1.61 0.98 0.50 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 0.00 104 V 7.41 3.82 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 1.36 0.00 0.00 1.03 0.00 0.00 105 R 8.35 4.08 0.00 1.82 2.07 0.00 3.48 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 106 Q 7.79 4.23 0.00 1.88 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 107 G 8.22 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 0.00 108 L 7.44 4.42 0.00 1.15 1.46 0.40 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.24 4.43 1.15 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 0.00 110 K 8.37 4.66 0.00 1.67 1.84 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.23 1.12 7.81 111 V 8.61 4.31 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 0.77 0.00 0.00 1.01 0.00 0.00 112 A 8.50 4.50 1.39 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 0.00 113 Y 8.41 4.25 0.00 2.96 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 0.00 114 V 8.43 3.78 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 0.83 0.00 0.00 1.07 0.00 0.00 115 Y 8.51 4.55 0.00 3.09 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 0.00 116 K 9.21 3.69 0.00 1.52 1.53 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.62 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.87 7.81 117 G 8.23 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 0.00 118 N 7.95 4.86 0.00 2.95 2.87 0.00 0.00 6.69 7.53 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 0.00 119 N 8.20 5.18 0.00 3.11 3.03 0.00 0.00 6.10 7.22 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 0.00 120 T 8.54 3.81 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 1.04 0.00 0.00 121 H 8.16 4.82 0.00 2.95 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.26 4.01 0.00 2.14 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 0.00 2.35 2.42 0.00 123 Q 8.02 3.97 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 L 7.97 3.93 0.00 1.75 1.86 0.92 0.59 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 0.00 125 L 8.10 4.03 0.00 1.79 1.74 1.05 0.70 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 0.00 126 R 8.14 3.87 0.00 2.21 1.97 0.00 3.29 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 127 K 8.30 3.89 0.00 1.97 1.81 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 128 A 7.85 3.95 1.39 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 0.00 129 E 8.49 3.90 0.00 2.17 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 2.27 2.59 0.00 130 A 8.07 3.74 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 0.00 131 Q 8.23 3.76 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 132 A 7.97 3.99 1.54 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 0.00 133 K 7.51 2.87 0.00 0.79 1.34 0.00 1.26 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.93 0.21 7.81 134 K 7.71 3.82 0.00 1.73 1.93 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 135 E 7.89 4.22 0.00 2.09 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 2.30 2.46 0.00 136 K 8.12 4.05 0.00 1.83 1.90 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.35 7.81 137 L 8.29 4.23 0.00 1.91 1.58 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.23 3.43 0.00 2.56 1.42 0.00 0.00 7.12 7.32 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 0.00 139 I 5.42 2.76 1.23 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 1.13 0.05 -0.09 0.00 0.00 140 W 7.92 4.79 0.00 3.27 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 0.00 141 S 8.87 4.48 0.00 3.89 3.88 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 * Residues marked with a * may have inaccurate shift predictions.