NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2783 8.3444 118.8305 56.3426 29.4050 175.1088 5 T 4.1750 9.1242 107.5455 60.7784 68.2024 171.3363 6 L 4.6519 7.2518 119.3575 52.6746 45.1698 175.8750 7 N 4.6359 8.2062 118.9380 52.4966 39.4968 176.2181 8 S 4.1265 8.5220 115.9253 61.6609 62.9115 176.2110 9 D 4.3707 8.1149 121.8773 57.4174 40.4613 178.7595 10 L 4.4304 8.6281 118.0412 57.5916 41.6331 179.4728 11 R 4.1285 7.9307 117.8398 59.0175 30.2717 178.9267 12 V 3.7442 7.9372 118.1611 65.8161 31.5919 177.8338 13 F 4.1954 8.4819 118.5916 59.9147 39.6620 175.8367 *15 H 4.5134 8.0619 117.7794 56.2273 31.4855 175.0776 16 H 4.5616 8.6568 116.6830 58.8541 28.3649 177.8767 17 I 3.7555 7.5777 121.7020 64.6522 36.8803 177.9722 18 Y 4.4491 7.3155 116.9766 61.1730 37.7028 178.5405 19 E 4.0186 8.4224 119.4534 59.4352 29.7873 179.0696 20 F 4.2024 8.5606 120.7132 61.5831 39.2755 177.0732 21 E 3.9328 8.4013 116.9227 58.9467 29.3613 178.7169 22 K 4.2634 8.4177 116.8489 56.2378 32.3621 177.5285 23 G 3.7605 7.5270 106.8294 46.2277 0.0000 175.3833 24 V 3.7613 7.7575 122.2181 65.1712 31.7250 176.2599 25 R 4.6772 7.4431 113.2505 55.0777 31.8922 174.3507 26 S 4.6499 8.5725 113.4900 59.2211 64.4620 173.2975 *28 V 3.6890 7.5890 120.2055 62.7585 32.7544 173.6125 29 L 4.4282 8.2152 128.4223 53.2325 43.4813 174.9244 30 A 4.8459 8.9630 128.9992 50.4203 21.8530 174.9291 31 T 5.0117 8.4841 118.4198 61.8027 70.5780 173.8697 32 L 4.8944 8.7667 125.5349 52.2925 46.4556 176.3819 33 A 4.4602 8.4375 124.0878 52.1820 18.9593 178.7295 34 N 4.3401 8.6431 118.7334 56.4302 38.3270 177.7095 35 D 4.4133 8.0039 118.5935 56.4072 41.3183 177.2177 36 D 4.6034 7.9737 118.8158 55.0638 41.2472 178.3553 37 I 3.6664 7.3510 114.1064 62.9444 37.6826 176.2719 38 P 4.1709 0.0000 0.0000 65.5985 31.1721 177.6046 39 Y 4.1642 8.2344 118.6906 60.1253 38.7757 177.8109 40 A 3.8317 7.7910 121.4998 55.2741 18.3384 179.5208 41 E 3.3690 8.3794 117.3722 59.1904 29.0637 179.3028 42 E 3.8611 8.0790 118.6788 59.4338 29.5965 179.5989 43 R 3.7715 7.7154 117.8607 59.1893 30.0613 179.2073 44 L 3.8175 7.7249 118.5619 57.8429 41.7262 179.7146 45 R 3.9924 8.5082 118.3287 59.4328 29.7821 179.0617 46 S 4.1314 8.0178 111.8485 60.9224 62.4579 175.4680 47 R 4.3682 7.5883 117.1883 55.5438 30.1254 176.7434 48 Q 3.7571 7.6764 116.5107 56.4913 26.5987 172.9307 49 I 4.3380 7.8451 119.8026 59.6040 37.9192 174.3467 50 P 4.5698 0.0000 0.0000 63.2028 32.3952 174.9996 51 Y 5.5229 7.9236 119.8395 55.9040 41.8180 173.9988 52 F 5.0813 9.9105 121.8837 56.9006 42.6418 172.8456 53 A 5.1777 8.7348 128.3722 50.8238 20.5729 175.7733 54 Q 4.5051 9.2287 119.0590 54.0144 32.7150 172.8376 55 P 4.7654 0.0000 0.0000 63.2359 32.8125 175.0587 56 T 4.7208 8.1476 113.6637 61.6343 72.3963 173.6992 57 P 4.2377 0.0000 0.0000 65.3382 31.2709 176.9060 58 N 4.8562 8.0616 114.8437 52.9056 39.1474 176.8192 59 T 3.3481 7.5740 111.6364 63.6534 69.5153 172.7470 60 E 4.4430 7.7978 119.4377 55.4618 29.6101 175.6691 61 R 5.1698 7.2028 114.1846 54.6805 33.9745 175.1002 62 T 4.7180 8.7692 117.3874 61.8791 72.6768 172.8766 63 N 4.7772 9.3012 124.1803 52.4909 40.3109 173.8736 64 L 4.9756 9.3044 127.4007 53.3643 44.4055 175.0248 65 F 5.1657 9.4040 126.5673 56.8280 40.5374 175.2145 66 F 5.3467 8.9854 117.0087 55.1608 41.1637 175.4219 67 G 3.1332 7.6403 105.6820 45.3596 0.0000 171.9620 68 C 4.4390 7.9905 115.0771 58.0772 30.0487 174.8543 69 K 3.9197 8.8606 121.2671 60.2724 32.5155 177.9813 70 E 4.1228 8.4351 118.6333 59.6986 29.6964 179.3659 71 C 4.2457 7.5707 115.8142 60.0098 28.4685 175.7435 *73 E 4.0879 8.3035 120.3458 56.3923 31.7287 178.5769 74 A 3.9739 7.9863 120.7108 55.2449 18.4739 179.8249 75 I 2.7453 7.8581 111.9679 63.6277 37.2835 178.3057 76 R 3.1537 6.3800 118.9451 58.1900 29.8871 178.4112 77 L 4.1109 7.3474 118.4566 57.0030 42.1674 177.2324 78 F 4.9483 7.4167 109.8271 55.8757 39.4986 175.3844 79 V 3.9958 7.7225 121.0457 63.6554 32.4407 175.9354 80 S 4.3736 7.9764 116.3336 60.2206 62.9207 175.1627 81 G 4.1184 9.0604 111.9754 45.7764 0.0000 173.2154 82 R 4.6899 7.9350 118.0617 53.7811 33.3401 175.6211 83 S 4.3527 8.4534 116.1574 57.9528 63.0699 175.1254 84 L 4.2068 8.5761 126.3239 57.5092 41.5163 177.6922 85 N 4.7318 8.0861 114.5915 53.5887 38.6468 175.5454 86 S 4.6910 7.8589 112.2875 57.8272 63.6708 174.4662 87 L 4.4698 7.6490 121.2229 54.5649 42.3782 177.2364 88 T 4.1940 8.7758 112.7388 61.0431 70.8823 173.9319 89 P 4.4639 0.0000 0.0000 65.5712 31.2424 179.0426 90 E 4.0845 8.2235 117.1144 59.5710 29.5514 178.6414 91 E 3.6516 8.1806 118.6085 59.6193 29.5426 179.0516 92 D 4.4400 8.6944 118.2151 57.3129 41.2677 178.1385 93 F 4.0856 8.3885 120.9484 61.3110 39.2070 177.1168 94 I 3.8569 7.8267 118.0834 64.5515 37.0265 178.0524 95 I 4.0797 7.9676 119.3485 64.4582 37.3324 178.3701 96 G 3.5210 8.2149 106.0788 47.5145 0.0000 176.5430 97 A 3.7950 8.2664 121.9451 52.1574 18.4464 178.8226 *99 L 3.9416 7.9307 119.3742 55.5151 43.3849 177.9599 100 G 4.0036 7.9802 107.1157 45.3553 0.0000 173.4697 101 Y 4.5094 7.3782 116.9721 57.1029 38.6300 175.9020 102 D 4.4237 8.6851 122.4291 54.8976 42.6556 177.7514 103 I 3.6429 8.3751 127.2559 64.5852 37.3801 178.3753 104 C 4.1896 8.1204 117.3441 62.5580 28.0200 175.8497 105 R 3.8847 8.5625 120.6928 59.5791 29.6466 178.5913 106 Q 3.8874 8.0693 117.8769 59.0049 28.5188 178.6070 107 C 4.4398 8.4060 118.0005 62.8577 28.2358 175.7289 108 E 3.9905 8.1449 120.4797 59.4624 29.2833 178.9997 109 R 3.9633 8.1230 118.0095 59.4739 30.0719 178.2795 110 Y 4.2110 8.6235 119.6505 61.1216 38.5661 178.1080 111 C 4.1488 8.1896 116.3781 62.7857 28.2981 175.9832 112 R 4.0581 7.8825 118.5827 59.4071 29.8009 178.7741 113 R 3.9604 7.8959 116.9345 58.3961 30.1157 176.6389 114 K 4.0938 7.7584 123.1196 56.3383 32.3364 175.4193 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 Q 8.34 4.28 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.18 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 5 T 9.12 4.18 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 1.18 0.00 0.00 6 L 7.25 4.65 0.00 1.59 1.42 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.21 4.64 0.00 2.96 2.91 0.00 0.00 5.74 7.64 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 8 S 8.52 4.13 0.00 4.07 4.17 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 9 D 8.11 4.37 0.00 2.93 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 10 L 8.63 4.43 0.00 1.75 1.78 0.71 0.96 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 11 R 7.93 4.13 0.00 1.98 2.03 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 12 V 7.94 3.74 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 0.97 0.00 0.00 0.99 0.00 0.00 13 F 8.48 4.20 0.00 3.16 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 *15 H 8.06 4.51 0.00 3.44 3.43 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.66 4.56 0.00 3.50 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.58 3.76 1.31 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.32 0.79 0.00 0.00 18 Y 7.32 4.45 0.00 3.10 2.87 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 19 E 8.42 4.02 0.00 2.39 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 0.00 2.43 2.56 0.00 20 F 8.56 4.20 0.00 3.24 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.40 3.93 0.00 2.30 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 2.47 2.73 0.00 22 K 8.42 4.26 0.00 1.81 1.86 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 23 G 7.53 3.76 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 0.00 24 V 7.76 3.76 2.26 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 0.87 0.00 0.00 0.97 0.00 0.00 25 R 7.44 4.68 0.00 1.94 1.89 0.00 3.23 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 26 S 8.57 4.65 0.00 4.02 4.19 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 *28 V 7.59 3.69 0.67 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 0.47 0.00 0.00 0.65 0.00 0.00 29 L 8.22 4.43 0.00 1.42 1.33 0.77 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.96 4.85 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 31 T 8.48 5.01 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 1.21 0.00 0.00 32 L 8.77 4.89 0.00 1.38 1.35 0.37 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.44 4.46 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 34 N 8.64 4.34 0.00 2.74 2.85 0.00 0.00 7.06 8.10 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 35 D 8.00 4.41 0.00 2.60 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 36 D 7.97 4.60 0.00 2.78 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 37 I 7.35 3.67 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.99 0.85 0.00 0.00 38 P 0.00 4.17 0.00 2.19 2.14 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 39 Y 8.23 4.16 0.00 3.03 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 40 A 7.79 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.38 3.37 0.00 1.82 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 1.64 2.25 0.00 42 E 8.08 3.86 0.00 2.01 1.80 0.00 0.00 0.00 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 2.29 0.00 43 R 7.72 3.77 0.00 1.99 1.87 0.00 2.99 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.76 0.00 44 L 7.72 3.82 0.00 1.67 1.65 -0.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.51 3.99 0.00 1.86 2.02 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 46 S 8.02 4.13 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 47 R 7.59 4.37 0.00 1.83 2.09 0.00 3.22 0.00 0.00 3.56 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 48 Q 7.68 3.76 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 49 I 7.85 4.34 1.78 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 1.48 0.77 0.68 0.00 0.00 50 P 0.00 4.57 0.00 2.23 1.97 0.00 3.73 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 51 Y 7.92 5.52 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.91 5.08 0.00 2.94 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 53 A 8.73 5.18 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 54 Q 9.23 4.51 0.00 1.86 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 55 P 0.00 4.77 0.00 2.08 2.12 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 56 T 8.15 4.72 4.43 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 1.24 0.00 0.00 57 P 0.00 4.24 0.00 2.04 2.15 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 58 N 8.06 4.86 0.00 2.75 2.78 0.00 0.00 6.95 7.05 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 59 T 7.57 3.35 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 1.20 0.00 0.00 60 E 7.80 4.44 0.00 2.03 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 2.35 2.31 0.00 61 R 7.20 5.17 0.00 1.67 1.74 0.00 3.08 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 62 T 8.77 4.72 4.17 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 1.20 0.00 0.00 63 N 9.30 4.78 0.00 2.67 2.39 0.00 0.00 6.13 6.71 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 64 L 9.30 4.98 0.00 1.61 1.68 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.40 5.17 0.00 3.31 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 66 F 8.99 5.35 0.00 3.05 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 67 G 7.64 3.13 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 0.00 0.00 0.00 0.00 68 C 7.99 4.44 0.00 3.43 3.31 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 69 K 8.86 3.92 0.00 1.88 2.03 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 70 E 8.44 4.12 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 2.42 2.41 0.00 71 C 7.57 4.25 0.00 3.03 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 *73 E 8.30 4.09 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 2.44 2.20 0.00 74 A 7.99 3.97 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 75 I 7.86 2.75 1.11 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.34 0.52 0.00 0.00 76 R 6.38 3.15 0.00 1.60 1.64 0.00 2.78 0.00 0.00 2.68 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 L 7.35 4.11 0.00 1.86 1.93 0.92 0.55 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 78 F 7.42 4.95 0.00 3.22 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 79 V 7.72 4.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.33 0.00 0.00 80 S 7.98 4.37 0.00 3.96 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 81 G 9.06 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 0.00 0.00 0.00 82 R 7.93 4.69 0.00 1.97 1.87 0.00 3.23 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 83 S 8.45 4.35 0.00 3.89 3.76 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 84 L 8.58 4.21 0.00 1.76 1.83 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.09 4.73 0.00 2.77 2.88 0.00 0.00 6.87 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 86 S 7.86 4.69 0.00 4.02 3.98 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 87 L 7.65 4.47 0.00 1.77 1.75 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.78 4.19 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 1.27 0.00 0.00 89 P 0.00 4.46 0.00 2.08 1.97 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 90 E 8.22 4.08 0.00 2.06 1.94 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 2.41 2.56 0.00 91 E 8.18 3.65 0.00 2.25 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 1.65 2.10 0.00 92 D 8.69 4.44 0.00 3.08 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 8.39 4.09 0.00 3.39 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 94 I 7.83 3.86 1.97 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.99 0.00 0.00 95 I 7.97 4.08 2.16 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.99 1.00 0.00 0.00 96 G 8.21 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 97 A 8.27 3.80 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 *99 L 7.93 3.94 0.00 0.76 1.27 0.76 0.93 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 0.00 100 G 7.98 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 0.00 101 Y 7.38 4.51 0.00 2.95 2.73 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 0.00 0.00 0.00 102 D 8.69 4.42 0.00 2.79 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 0.00 103 I 8.38 3.64 1.92 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 1.66 0.84 1.10 0.00 0.00 104 C 8.12 4.19 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 3.88 0.00 1.84 2.07 0.00 2.96 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 106 Q 8.07 3.89 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.10 0.00 107 C 8.41 4.44 0.00 3.23 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 0.00 108 E 8.14 3.99 0.00 2.11 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 0.00 2.34 2.39 0.00 109 R 8.12 3.96 0.00 2.11 2.04 0.00 3.20 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 110 Y 8.62 4.21 0.00 3.43 3.38 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 0.00 111 C 8.19 4.15 0.00 3.25 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 0.00 112 R 7.88 4.06 0.00 1.98 2.00 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 113 R 7.90 3.96 0.00 1.78 1.99 0.00 3.26 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 114 K 7.76 4.09 0.00 1.08 1.22 0.00 1.60 0.00 0.00 1.32 0.00 0.00 3.20 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.06 1.29 7.81 * Residues marked with a * may have inaccurate shift predictions.