NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3894 8.1593 110.9658 61.6724 70.2302 172.5121 5 F 5.0606 7.8203 118.5238 55.2484 42.0936 171.2186 6 I 3.9501 9.0040 121.2460 60.6036 37.5888 177.8290 7 R 4.3164 8.7792 126.9452 59.1964 30.9009 176.4491 8 H 4.7322 7.5651 115.4974 55.1093 33.4393 172.5331 9 I 4.8311 7.8594 123.6441 59.3597 39.9367 174.5007 10 A 4.6919 8.7690 129.0068 49.8273 21.8859 175.0693 11 L 4.4081 8.4579 123.9967 53.9722 42.3944 176.5228 12 L 4.1172 8.6317 126.6242 55.6491 42.6187 177.4727 13 G 3.8114 6.8144 104.7120 44.0571 0.0000 171.1691 14 F 5.2553 7.3850 114.2008 55.1913 41.3406 173.9442 15 E 4.9404 9.1047 117.4804 54.5437 34.0645 175.2009 16 K 4.1630 8.7464 121.9227 56.3161 33.0341 176.4944 17 R 4.2549 8.4421 122.3470 54.2948 34.2984 176.0340 18 F 4.7485 8.4699 115.5875 56.6701 41.0896 174.8023 19 V 4.3979 7.6088 120.6668 60.1262 33.4609 173.5127 20 P 4.4336 0.0000 0.0000 65.1707 31.6347 175.5898 21 S 4.7713 7.5025 110.2982 55.6923 66.0005 172.5401 22 Q 4.1938 8.5554 121.9480 57.0057 29.1928 175.0800 23 H 4.6701 8.6363 121.2249 55.0889 32.5929 171.4101 24 Y 5.1214 8.5099 115.0075 56.1651 40.8840 175.7553 25 V 4.5853 8.6260 121.8847 61.7843 35.0320 174.7599 26 Y 5.2184 8.9255 125.8465 55.9976 41.4369 173.6067 *28 F 4.8190 8.3933 117.4000 58.1308 41.0190 174.2645 29 L 4.6397 9.0332 127.0393 54.4404 42.9731 175.4120 30 V 4.3654 9.1294 128.4161 61.2747 33.2545 174.2476 31 K 5.0076 8.8289 130.4890 54.7901 33.9770 175.9273 32 W 4.8736 8.8751 127.8020 54.9553 31.0487 177.3175 33 Q 3.5556 8.4829 119.6086 59.2428 27.6025 177.4812 34 D 4.6574 7.9979 115.5474 52.8188 39.5409 177.5825 35 L 3.9212 7.8155 120.6108 55.7087 41.4981 174.7188 36 S 4.0750 7.3812 112.1070 57.3746 63.0721 172.8055 37 E 5.3770 8.5968 124.7234 54.8592 33.0128 174.9238 38 K 4.7644 9.2609 123.1288 54.6140 36.8009 175.2847 39 V 4.7256 8.5016 123.3993 61.6901 32.5645 175.3018 40 V 4.7593 8.7444 120.9549 59.7616 35.1203 174.7369 41 Y 5.0484 8.7040 119.3640 56.5625 40.6012 175.3799 42 R 5.0281 9.5037 122.9695 54.4471 34.9386 175.5576 43 R 4.7364 8.8561 121.4052 55.6699 31.3560 177.6655 44 F 4.0676 9.3303 122.3091 62.0009 39.3878 177.6320 45 T 3.9761 8.2211 114.7802 66.8090 68.2706 176.2468 46 E 4.1173 8.2789 119.9776 59.5241 29.5077 179.2965 47 I 3.4024 7.8060 119.9411 64.3552 37.0421 177.8960 48 Y 3.7777 7.8720 120.5565 60.5709 38.5841 177.8595 49 E 3.8395 8.2962 119.6896 59.0190 29.4911 178.9258 50 F 3.8996 8.0663 120.8015 61.4696 39.3030 176.6381 51 H 3.8063 8.2415 117.9097 59.1776 29.7478 177.2454 52 K 3.6525 7.6936 120.2659 59.7407 31.5668 179.5107 53 T 3.8892 7.2021 114.5933 66.2231 68.4177 176.2332 54 L 3.9997 7.3238 121.3864 58.1856 42.0924 178.8907 55 K 4.1155 7.6787 117.0915 59.2608 32.0533 179.9326 56 E 4.1107 7.4922 117.2746 55.7986 31.0746 177.7895 *58 F 4.5832 7.8721 115.3795 56.8401 40.0212 174.0229 59 P 4.3115 0.0000 0.0000 65.4641 31.7061 178.4021 60 I 3.7154 7.7126 118.1032 64.6063 37.1143 178.1701 61 E 4.0959 8.2355 118.0909 58.6651 29.2257 178.7077 62 A 4.0607 8.3385 120.5848 53.1311 18.7606 178.4706 63 G 3.8337 7.9812 105.3798 45.5752 0.0000 175.2527 64 A 4.1473 7.9366 122.9518 53.8043 18.1243 178.3901 65 I 3.9075 7.0909 115.8272 60.8078 38.4026 174.7048 66 N 4.7587 7.8712 120.3103 51.5942 39.9799 174.3777 67 P 4.5679 0.0000 0.0000 64.8266 31.6413 178.3125 68 E 4.0645 8.4200 116.6362 58.4571 29.4834 177.1698 69 N 4.7461 7.8520 115.1861 52.7929 38.7084 175.0131 70 R 4.2801 7.5591 120.2552 56.2245 30.5133 176.2119 71 I 4.4746 8.4000 116.9818 60.5694 39.4069 176.1709 72 I 3.7027 7.7083 122.4842 60.2906 37.3398 174.0829 73 P 4.4478 0.0000 0.0000 63.0492 31.7339 175.5887 74 H 4.6314 8.6534 117.0100 55.3836 29.5366 174.9387 75 L 4.7926 8.3787 124.1175 52.4356 44.2001 174.3785 76 P 4.4716 0.0000 0.0000 62.2596 32.2261 176.3871 77 A 3.3767 8.8477 124.5976 51.3222 19.2944 176.5586 78 P 4.4677 0.0000 0.0000 65.8853 31.1104 179.1330 79 K 3.7776 7.8125 115.8884 59.7206 32.2309 178.3116 80 W 4.5338 7.5187 117.5317 56.9348 29.9243 176.8523 81 F 4.6025 7.5786 119.1075 55.8433 36.5471 175.1518 82 D 4.6080 7.8067 124.2242 53.1513 41.7588 180.0771 83 G 3.8316 7.9536 104.2541 44.3624 0.0000 175.5130 84 Q 3.9877 9.2113 118.7395 57.1677 30.1345 174.6695 85 R 4.4559 9.0234 119.2671 56.9229 27.9824 178.0439 86 A 3.9496 7.5689 121.6909 55.2482 18.0857 180.5641 87 A 3.7429 6.9660 119.6928 54.6388 18.3594 179.5720 88 E 4.0708 7.6466 116.5396 59.5734 29.6833 179.1463 89 N 4.3335 8.5756 116.7864 56.5999 38.6124 177.7618 90 R 3.0850 7.5902 119.2241 58.5075 29.9845 178.8399 91 Q 4.0362 8.2160 119.8378 59.1960 28.8669 178.7035 92 G 3.6285 8.0142 106.5741 48.1369 0.0000 175.6253 93 T 4.0013 7.8130 118.1104 66.6022 68.4136 176.6622 94 L 4.2583 8.2083 120.7984 57.7865 41.6670 179.6137 95 T 3.9284 7.9349 115.8595 66.5707 68.3978 176.2763 96 E 3.9574 8.0199 121.0199 59.3873 29.6650 177.8771 97 Y 4.1199 8.2272 119.6307 61.2368 38.5559 178.2522 98 C 4.1801 8.4840 116.6972 62.7825 28.3455 175.9134 99 S 4.2544 7.7299 114.3367 61.6981 62.6406 176.4259 100 T 3.9811 7.6763 118.4269 66.0966 68.5794 176.2869 101 L 3.5979 7.5124 120.9943 56.3448 42.5295 178.3146 *103 S 4.4029 7.9015 109.9956 57.2445 64.7171 173.9213 104 L 4.1776 7.4563 120.9251 53.5351 42.1862 175.5406 105 P 4.2886 0.0000 0.0000 63.1626 33.1358 177.8845 106 T 3.9435 8.3521 112.4206 64.0253 68.2943 176.2199 107 K 3.7243 7.9500 121.5100 59.3978 32.2347 177.4964 108 I 3.7232 7.2044 118.4135 63.1684 37.9753 177.9568 109 S 4.3436 8.2298 114.4528 60.0483 62.6071 175.5213 110 R 4.7798 7.5295 120.8739 55.8136 30.6823 176.2597 111 C 4.5005 7.9880 114.6052 57.6266 31.6309 172.6375 112 P 4.4101 0.0000 0.0000 65.9303 30.9644 178.4284 113 H 4.2820 8.4196 116.8419 59.2443 29.9122 176.8672 114 L 4.2635 8.1290 121.3921 58.3269 41.9430 178.3646 115 L 4.2009 7.9267 117.4796 58.4060 41.5115 179.1793 116 D 4.6190 8.5933 118.6581 57.3236 40.5064 178.6149 117 F 4.0189 8.1131 120.3376 60.6457 39.4008 176.2486 118 F 4.4757 7.6644 113.7037 56.3587 39.4435 176.2750 119 K 4.4896 7.2096 117.9015 55.6450 32.6127 177.1966 120 V 3.6868 8.2805 121.8968 63.3661 31.9182 176.1927 121 R 4.3645 8.3212 125.8350 54.4177 31.1536 174.5114 122 P 4.4047 0.0000 0.0000 62.5859 32.0291 176.2375 123 D 4.5096 8.6120 119.2491 54.8942 40.6746 176.3334 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 T 8.16 4.39 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 1.20 0.00 0.00 5 F 7.82 5.06 0.00 3.21 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 6 I 9.00 3.95 1.54 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.50 0.00 0.00 7 R 8.78 4.32 0.00 1.75 1.99 0.00 3.21 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.51 0.00 8 H 7.57 4.73 0.00 3.11 3.02 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.86 4.83 1.54 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.34 0.65 0.00 0.00 10 A 8.77 4.69 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 11 L 8.46 4.41 0.00 1.57 1.60 0.52 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.63 4.12 0.00 1.54 1.62 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 13 G 6.81 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 14 F 7.38 5.26 0.00 2.56 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 15 E 9.10 4.94 0.00 1.95 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 2.23 2.34 0.00 16 K 8.75 4.16 0.00 1.57 1.02 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.70 1.49 7.81 17 R 8.44 4.25 0.00 1.00 1.48 0.00 3.12 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.57 0.00 18 F 8.47 4.75 0.00 3.10 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 19 V 7.61 4.40 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 0.89 0.00 0.00 0.98 0.00 0.00 20 P 0.00 4.43 0.00 2.24 2.18 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 21 S 7.50 4.77 0.00 3.96 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 22 Q 8.56 4.19 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 23 H 8.64 4.67 0.00 3.14 3.31 0.00 5.26 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.51 5.12 0.00 2.62 2.38 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 25 V 8.63 4.59 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 1.28 0.00 0.00 1.04 0.00 0.00 26 Y 8.93 5.22 0.00 3.29 2.71 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 0.00 0.00 0.00 *28 F 8.39 4.82 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 29 L 9.03 4.64 0.00 1.73 1.56 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.13 4.37 2.23 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 0.31 0.00 0.00 0.95 0.00 0.00 31 K 8.83 5.01 0.00 1.82 1.59 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 32 W 8.88 4.87 0.00 3.33 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 33 Q 8.48 3.56 0.00 1.47 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.37 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 34 D 8.00 4.66 0.00 2.79 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 L 7.82 3.92 0.00 1.84 1.92 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.38 4.08 0.00 4.04 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 37 E 8.60 5.38 0.00 1.87 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 2.24 2.36 0.00 38 K 9.26 4.76 0.00 1.90 1.76 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.42 7.81 39 V 8.50 4.73 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 0.44 0.00 0.00 0.93 0.00 0.00 40 V 8.74 4.76 2.15 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 0.93 0.00 0.00 1.10 0.00 0.00 41 Y 8.70 5.05 0.00 2.82 2.92 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 42 R 9.50 5.03 0.00 2.10 1.97 0.00 2.54 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.34 0.00 43 R 8.86 4.74 0.00 1.97 2.01 0.00 3.06 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 44 F 9.33 4.07 0.00 3.23 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 45 T 8.22 3.98 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 1.30 0.00 0.00 46 E 8.28 4.12 0.00 2.37 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 0.00 2.51 2.51 0.00 47 I 7.81 3.40 1.68 0.00 0.00 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 1.47 1.00 0.67 0.00 0.00 48 Y 7.87 3.78 0.00 2.74 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 49 E 8.30 3.84 0.00 2.20 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 2.58 2.51 0.00 50 F 8.07 3.90 0.00 2.15 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 51 H 8.24 3.81 0.00 3.16 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.69 3.65 0.00 1.71 1.65 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 0.84 7.81 53 T 7.20 3.89 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 0.86 0.00 0.00 54 L 7.32 4.00 0.00 1.11 1.55 1.06 0.47 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 55 K 7.68 4.12 0.00 1.79 1.77 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.32 7.81 56 E 7.49 4.11 0.00 2.00 1.85 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 2.26 2.38 0.00 *58 F 7.87 4.58 0.00 3.14 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 59 P 0.00 4.31 0.00 2.14 2.08 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 60 I 7.71 3.72 1.91 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 1.65 1.02 0.92 0.00 0.00 61 E 8.24 4.10 0.00 2.07 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 2.30 2.40 0.00 62 A 8.34 4.06 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 63 G 7.98 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 0.00 0.00 0.00 64 A 7.94 4.15 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 65 I 7.09 3.91 1.87 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 1.30 0.91 0.91 0.00 0.00 66 N 7.87 4.76 0.00 2.71 2.69 0.00 0.00 6.92 7.71 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 67 P 0.00 4.57 0.00 2.23 2.11 0.00 3.93 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 68 E 8.42 4.06 0.00 2.02 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 2.57 2.42 0.00 69 N 7.85 4.75 0.00 2.89 2.83 0.00 0.00 6.92 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 70 R 7.56 4.28 0.00 1.83 1.84 0.00 3.32 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 1.61 1.66 0.00 71 I 8.40 4.47 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.88 0.00 0.00 72 I 7.71 3.70 1.83 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 1.38 0.62 0.90 0.00 0.00 73 P 0.00 4.45 0.00 2.22 1.99 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 74 H 8.65 4.63 0.00 3.25 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.38 4.79 0.00 1.31 1.24 0.79 0.35 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 76 P 0.00 4.47 0.00 2.21 1.85 0.00 4.06 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 2.21 2.12 0.00 77 A 8.85 3.38 1.19 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 0.00 0.00 78 P 0.00 4.47 0.00 2.16 2.28 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 79 K 7.81 3.78 0.00 1.49 1.67 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.78 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.85 0.23 7.81 80 W 7.52 4.53 0.00 2.77 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 81 F 7.58 4.60 0.00 2.85 2.81 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 82 D 7.81 4.61 0.00 2.79 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 83 G 7.95 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 0.00 0.00 0.00 84 Q 9.21 3.99 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 85 R 9.02 4.46 0.00 2.08 1.99 0.00 3.49 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 86 A 7.57 3.95 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 87 A 6.97 3.74 -0.99 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 88 E 7.65 4.07 0.00 2.06 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 0.00 2.51 2.77 0.00 89 N 8.58 4.33 0.00 2.86 3.07 0.00 0.00 7.06 7.52 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 90 R 7.59 3.08 0.00 1.39 1.05 0.00 2.57 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 91 Q 8.22 4.04 0.00 2.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 92 G 8.01 3.63 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 0.00 0.00 0.00 93 T 7.81 4.00 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 1.42 0.00 0.00 94 L 8.21 4.26 0.00 1.66 1.87 0.49 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.93 3.93 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 1.24 0.00 0.00 96 E 8.02 3.96 0.00 2.09 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 2.36 2.36 0.00 97 Y 8.23 4.12 0.00 3.32 3.23 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 98 C 8.48 4.18 0.00 3.14 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 99 S 7.73 4.25 0.00 4.04 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 0.00 100 T 7.68 3.98 4.13 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 0.00 0.00 1.16 0.00 0.00 101 L 7.51 3.60 0.00 1.56 1.67 0.83 0.88 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 *103 S 7.90 4.40 0.00 4.00 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 0.00 104 L 7.46 4.18 0.00 1.66 1.50 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.29 0.00 2.04 1.91 0.00 3.48 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 106 T 8.35 3.94 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 1.05 0.00 0.00 107 K 7.95 3.72 0.00 1.72 1.79 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.63 7.81 108 I 7.20 3.72 1.54 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.60 0.00 0.00 109 S 8.23 4.34 0.00 3.96 4.20 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 0.00 110 R 7.53 4.78 0.00 1.86 1.94 0.00 2.75 0.00 0.00 2.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 111 C 7.99 4.50 0.00 3.40 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 0.00 112 P 0.00 4.41 0.00 2.27 2.25 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 113 H 8.42 4.28 0.00 3.30 3.44 0.00 5.87 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 0.00 114 L 8.13 4.26 0.00 2.05 2.01 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.93 4.20 0.00 1.88 2.08 1.22 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.59 4.62 0.00 3.03 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 0.00 117 F 8.11 4.02 0.00 2.91 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 0.00 118 F 7.66 4.48 0.00 3.02 2.92 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 0.00 119 K 7.21 4.49 0.00 1.86 1.77 0.00 1.74 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.82 7.81 120 V 8.28 3.69 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 0.82 0.00 0.00 0.99 0.00 0.00 121 R 8.32 4.36 0.00 1.84 1.83 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 122 P 0.00 4.40 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 123 D 8.61 4.51 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.