NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 R 4.3155 8.2549 120.8671 55.7492 31.2800 175.1104 16 E 4.2832 8.7416 124.3114 56.1770 30.4079 174.5732 17 L 4.9156 9.2575 123.1000 53.0607 45.3822 175.1057 18 R 4.9912 8.9664 123.5564 54.9181 31.9042 174.6231 19 L 5.1663 8.9400 126.8986 53.0764 44.7202 175.5309 20 L 5.1283 8.5820 124.2003 53.1584 46.2010 174.4953 *22 L 3.8840 8.2478 119.0288 53.7225 43.4747 176.7111 23 G 2.5532 7.3918 107.4350 44.4665 0.0000 172.0091 24 L 4.4057 7.3394 119.0762 53.7631 42.1561 176.6786 25 D 4.4753 8.5253 120.3819 55.3419 39.4387 177.0616 26 N 4.4690 8.9752 117.5643 53.8798 37.7264 174.8294 27 A 3.9890 7.7155 120.3860 56.3562 18.5855 177.8723 28 G 3.4642 8.6604 102.7944 45.1081 0.0000 175.3127 29 K 3.7723 8.2928 121.0956 60.4142 32.0772 178.8313 30 T 3.9997 7.8207 114.8047 67.0139 68.4187 176.8798 31 T 3.9388 7.8336 117.2602 66.4075 68.4972 176.8170 32 I 3.6405 7.9385 122.1041 64.2785 36.9482 178.2016 33 L 4.0779 7.8140 119.9170 57.8860 42.0975 179.0380 34 K 4.1227 8.0242 118.3279 59.2907 32.1958 178.9920 35 K 3.8126 8.1321 119.9270 59.7967 31.8406 178.3663 36 F 4.3417 8.2174 119.3720 60.6850 39.2172 175.5131 37 N 4.5140 8.0008 114.6072 52.3124 38.8322 174.5214 38 G 3.8309 8.1392 106.2522 46.9649 0.0000 173.8291 39 E 4.6593 7.9022 117.2731 53.8006 32.0460 175.8776 40 D 4.5997 8.3251 120.0478 54.9098 41.4091 176.8182 41 V 4.4877 8.0660 112.8783 61.1369 33.0200 176.5751 42 D 4.5774 8.2047 120.6344 54.9225 40.1786 176.2534 43 T 4.6866 7.4793 109.4395 60.7991 68.8955 173.8411 44 I 4.2756 7.5936 121.3528 61.2044 38.8237 175.9373 45 S 4.7843 8.1083 117.3777 55.2409 66.0686 171.8800 46 P 4.1459 0.0000 0.0000 63.6067 31.4472 176.2586 47 T 4.2021 8.4960 119.5685 63.4130 68.8262 175.2575 48 L 4.8570 8.3146 129.6334 53.4766 43.5073 178.0065 49 G 4.1949 6.6292 114.2987 46.3233 0.0000 174.3095 50 F 5.4909 8.0597 119.1327 54.7766 41.0440 173.5224 51 N 4.9639 9.5048 118.6000 51.9454 40.5568 173.5116 52 I 4.4788 8.2835 124.7480 59.4389 39.3645 175.7114 53 K 4.4567 8.7105 124.9285 55.0480 35.5459 175.2574 54 T 5.0054 8.5216 122.6568 62.1300 70.0731 174.0542 55 L 4.6042 8.4515 126.4127 54.9211 44.1788 173.3319 56 E 5.3366 8.7531 118.7200 55.1015 32.5325 175.3591 57 H 4.8448 9.0693 125.6180 55.6855 32.6269 173.1864 58 R 3.8346 9.8412 126.0405 57.2483 27.5772 177.4544 59 G 3.7931 8.4312 104.8733 45.3141 0.0000 174.3192 60 F 4.4073 8.2078 119.8930 56.5800 39.9956 174.8454 61 K 4.8511 8.6515 126.6733 55.5389 32.6734 174.9612 62 L 5.2251 8.7769 127.7599 53.2916 44.6976 175.9462 63 N 4.9563 9.2544 118.7533 51.8790 41.9058 173.5747 64 I 4.7604 8.7819 126.5861 59.6175 39.0378 175.2794 65 W 4.5857 9.1210 128.6763 55.2943 30.2196 175.6042 66 D 4.8083 9.0214 126.4981 52.6456 42.3201 174.9944 67 V 4.7460 8.3016 126.2094 60.5791 33.6039 175.3633 68 G 3.9402 8.8430 114.9730 46.9901 0.0000 173.3143 69 G 4.5767 8.7407 111.0977 45.2478 0.0000 173.6227 70 Q 4.5011 7.8605 118.2228 54.4544 29.9979 177.0789 71 K 3.7441 8.8941 120.2107 60.1529 31.8086 179.2840 72 S 4.1807 8.0201 110.9595 61.4884 62.5456 175.6812 73 L 4.5044 8.0815 121.5288 57.4608 41.5063 179.1283 74 R 2.5100 7.4099 117.5290 58.9640 29.7253 178.8925 75 S 4.0564 7.7347 110.9159 60.5522 63.2807 174.2919 76 Y 4.5133 8.1749 118.1917 58.1254 38.7539 177.2414 77 W 4.9570 8.4581 121.7133 60.2318 28.7993 178.0016 78 R 2.0000 7.6572 113.6188 56.9260 28.7930 177.2647 79 N 4.3643 7.6599 116.3032 54.2022 38.7585 175.2619 80 Y 4.5168 6.8812 116.4069 57.2917 38.8587 176.9332 81 F 4.6251 7.6153 120.5424 59.6024 39.0900 175.4952 82 E 3.9610 7.9240 116.2968 58.1973 29.5679 176.8832 83 S 3.7231 8.2524 116.8065 59.4705 62.3094 171.9852 84 T 4.1835 7.3764 117.1725 64.1098 69.0468 174.7599 85 D 4.5314 9.0788 127.5697 56.7323 42.2477 176.9753 86 G 4.3506 7.8088 103.9405 44.4569 0.0000 171.2630 87 L 5.1475 8.7347 125.6524 53.1233 44.6133 175.0399 88 I 4.7878 8.6901 127.7756 59.5767 38.6958 174.8806 89 W 4.8318 9.2355 135.0000 55.9999 32.0562 174.8649 90 V 4.7346 7.7715 128.1363 61.1284 32.6732 174.9426 91 V 4.3005 8.7292 127.6686 61.1121 34.8086 174.2374 92 D 4.8108 8.5867 127.0068 52.9839 40.7451 176.5338 93 S 4.0487 9.3660 123.7367 60.8994 63.1701 176.2831 94 A 4.5897 8.0535 121.0831 51.8911 19.4834 177.2696 95 D 4.9140 7.9613 119.1062 53.2217 40.1507 177.2452 96 R 4.1079 7.8525 117.2901 58.6368 30.2104 178.8617 97 Q 4.0121 7.8214 118.4589 58.3248 29.2129 175.9870 98 R 4.4996 7.9589 118.5517 54.5424 29.7479 176.1340 *100 Q 4.2750 8.2275 121.6963 55.8152 31.0992 177.7980 101 D 4.5797 8.0097 117.1428 57.2192 40.7190 178.3351 102 C 4.4149 8.4805 119.7049 62.5048 31.6327 175.1141 103 Q 3.8523 8.1565 120.6698 59.3472 28.5467 178.3819 104 R 3.8540 8.3590 119.1303 59.4961 30.1974 178.7340 105 E 3.9594 8.1192 118.1479 59.4185 29.4897 179.4424 106 L 3.0565 7.3921 120.0045 57.9861 41.8722 179.0105 107 Q 3.8472 7.6920 116.6975 58.8832 28.7364 178.3747 108 S 4.1946 8.1554 114.2917 61.4348 62.2742 176.2774 109 L 3.9329 7.7812 121.5799 57.5299 41.1090 178.8610 110 L 4.2035 7.5698 116.6658 55.9774 41.6862 177.8155 111 V 4.2641 7.1244 111.0976 60.7061 32.4070 176.0082 112 E 4.0863 7.7330 121.7959 56.5590 30.0298 177.7358 113 E 4.1062 8.8431 123.6917 58.4580 30.0925 177.7720 114 R 4.3760 8.0087 115.2183 56.6403 30.6918 176.4471 115 L 4.4791 7.4717 116.2176 53.8146 42.8524 176.3395 116 A 4.1959 7.3606 121.4281 53.5632 18.6626 177.5711 117 G 3.8573 8.6213 107.0385 46.1573 0.0000 173.6232 118 A 4.4294 7.7962 120.4323 51.6787 19.8288 177.6890 119 T 4.4378 8.2368 116.0541 62.4002 70.6134 173.7569 120 L 5.0996 9.4518 128.9772 53.5631 44.0960 174.6256 121 L 5.2125 8.8973 128.2760 53.3227 45.1712 174.7533 122 I 4.9719 8.8473 127.3004 59.7264 39.7715 174.5988 123 F 5.3552 8.9939 126.9385 56.2897 40.3052 175.3922 124 A 4.4704 9.9466 129.0047 51.1460 17.7450 176.1167 125 N 4.7992 9.3254 120.9102 53.5010 41.3924 174.4016 126 K 4.3490 8.4995 117.4209 57.8919 28.9854 178.7279 127 Q 4.0934 8.4080 120.7089 58.7420 28.6179 177.5742 128 D 4.5542 8.0811 115.7153 54.0745 39.8066 175.3693 129 L 4.5371 7.8450 121.7682 52.9771 42.9253 175.1905 130 P 4.2390 0.0000 0.0000 65.7975 31.4414 178.6516 131 G 3.9833 7.7632 104.6716 45.4433 0.0000 173.3117 132 A 4.6062 7.4757 121.9590 50.5354 19.6209 178.8879 133 L 4.3051 8.4913 123.7087 53.5612 42.9703 178.1982 134 S 4.4633 8.7376 116.9734 58.9437 64.6434 175.5001 *136 N 4.5991 9.3275 114.8719 53.1927 40.2625 175.9065 137 A 3.9781 8.0479 119.6449 55.4512 18.3800 179.8307 138 I 3.8192 7.7579 118.0246 64.2009 36.9612 178.3211 139 Q 3.8702 8.0062 120.1113 59.1973 28.8971 178.0615 140 E 3.8884 8.8759 120.2609 59.2965 29.5254 178.3461 141 A 4.0362 8.1639 119.7684 54.8323 18.4193 178.6336 142 L 4.3232 7.6139 114.1066 53.0817 43.2033 176.9208 143 E 3.6931 7.7909 118.1082 57.5515 27.4676 175.8774 144 L 3.6572 7.5015 119.9547 56.9776 42.4969 179.9760 145 D 4.6431 7.9381 117.6153 56.9612 40.8268 177.1011 146 S 4.3672 7.3208 111.9451 58.4734 63.3682 174.0713 147 I 4.1918 7.5387 123.3325 60.7247 35.1656 175.4277 148 R 4.7048 8.3184 123.7919 56.1825 32.3747 178.5495 149 S 4.3862 8.2626 113.3097 61.0561 62.9848 173.6119 150 H 5.0364 7.5078 113.6008 53.9670 32.7482 172.2797 151 H 5.0286 8.6032 117.8663 55.5359 30.0433 174.6810 152 W 6.3000 8.1484 117.8887 55.1545 32.0093 173.8885 153 R 4.0390 8.3782 115.9876 55.4635 32.4323 173.0322 154 I 4.8321 8.6306 126.6247 60.0729 39.8596 174.5236 155 Q 4.4900 9.2833 128.8003 54.7442 32.3829 174.1983 156 G 4.0499 8.8921 114.0352 46.6508 0.0000 172.2709 157 C 4.8649 8.6950 115.1341 58.0103 33.8884 172.4422 158 S 4.6056 8.5122 114.0351 57.2222 63.9266 175.0257 159 A 3.9927 8.5826 132.1133 55.2520 18.5719 179.2638 160 V 3.7600 7.8311 108.5547 64.7291 31.7003 177.6489 161 T 4.0390 7.8271 107.2859 62.2460 69.2523 175.7063 162 G 3.8703 8.4643 110.4139 45.1404 0.0000 172.9902 163 E 3.9769 7.9491 121.5359 57.1351 30.0121 176.5834 164 D 4.4628 8.6513 125.6402 55.5450 39.1018 175.7975 165 L 4.1769 8.0086 119.1279 57.6124 42.2275 178.4267 166 L 4.2232 7.9925 118.3940 57.4632 41.1403 177.4922 167 P 4.4302 0.0000 0.0000 65.4748 31.1667 178.8981 168 G 3.6634 8.2307 103.9667 47.9231 0.0000 175.9130 169 I 3.7456 7.8663 122.8169 63.9099 36.9899 178.3361 170 D 4.4546 9.0056 120.2505 57.0175 40.6873 178.5926 171 W 3.9993 7.9567 127.6934 60.3425 30.7814 177.4547 172 L 3.0545 8.2242 120.2346 58.0602 41.4566 178.9151 173 L 3.5046 7.9997 118.9021 57.8746 41.6250 179.3856 174 D 4.2795 7.9789 118.8025 57.1011 40.4613 178.3508 175 D 3.9786 7.4944 117.9724 57.2931 41.3760 177.9768 176 I 3.6745 7.2045 120.2344 64.5041 36.8592 178.4498 177 S 4.1576 7.4846 112.4762 61.1229 62.2695 175.9595 178 S 4.2748 7.7071 115.7134 59.9771 62.9277 174.3188 179 R 4.1794 7.5296 123.4021 56.1323 29.4299 175.8422 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 15 R 8.25 4.32 0.00 1.81 1.94 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 16 E 8.74 4.28 0.00 2.02 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 2.45 0.00 17 L 9.26 4.92 0.00 1.54 1.50 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.97 4.99 0.00 1.92 1.89 0.00 2.93 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.00 19 L 8.94 5.17 0.00 1.65 1.52 0.87 0.20 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 20 L 8.58 5.13 0.00 1.64 1.45 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *22 L 8.25 3.88 0.00 1.51 0.44 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.39 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 0.00 0.00 0.00 24 L 7.34 4.41 0.00 1.75 1.65 1.02 1.11 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 25 D 8.53 4.48 0.00 2.93 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 26 N 8.98 4.47 0.00 2.88 3.01 0.00 0.00 7.00 7.96 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 27 A 7.72 3.99 1.31 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 0.00 0.00 28 G 8.66 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.77 0.00 1.83 1.95 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.29 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.49 7.81 30 T 7.82 4.00 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 1.21 0.00 0.00 31 T 7.83 3.94 4.34 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 1.18 0.00 0.00 32 I 7.94 3.64 2.04 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.78 0.00 0.00 33 L 7.81 4.08 0.00 1.80 1.73 0.99 0.57 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 34 K 8.02 4.12 0.00 2.02 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.44 7.81 35 K 8.13 3.81 0.00 1.97 1.83 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.51 7.81 36 F 8.22 4.34 0.00 3.09 3.34 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 37 N 8.00 4.51 0.00 2.89 2.85 0.00 0.00 7.18 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 38 G 8.14 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 39 E 7.90 4.66 0.00 1.94 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 2.20 2.43 0.00 40 D 8.33 4.60 0.00 2.64 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 41 V 8.07 4.49 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 0.80 0.00 0.00 0.92 0.00 0.00 42 D 8.20 4.58 0.00 2.78 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 43 T 7.48 4.69 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 44 I 7.59 4.28 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.91 0.00 0.00 45 S 8.11 4.78 0.00 3.91 3.78 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 46 P 0.00 4.15 0.00 2.07 2.09 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 47 T 8.50 4.20 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 1.29 0.00 0.00 48 L 8.31 4.86 0.00 1.59 1.65 0.91 0.93 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 49 G 6.63 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 0.00 0.00 0.00 50 F 8.06 5.49 0.00 2.75 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 51 N 9.50 4.96 0.00 2.75 2.76 0.00 0.00 7.02 7.28 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 52 I 8.28 4.48 1.42 0.00 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.11 0.00 0.00 53 K 8.71 4.46 0.00 1.63 1.69 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.37 7.81 54 T 8.52 5.01 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 1.28 0.00 0.00 55 L 8.45 4.60 0.00 1.79 1.78 1.12 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.75 5.34 0.00 1.98 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 2.41 2.30 0.00 57 H 9.07 4.84 0.00 3.40 3.32 0.00 5.98 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.84 3.83 0.00 2.20 2.01 0.00 3.56 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.27 0.00 59 G 8.43 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 0.00 0.00 0.00 60 F 8.21 4.41 0.00 3.26 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 61 K 8.65 4.85 0.00 1.88 1.79 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.51 7.81 62 L 8.78 5.23 0.00 1.75 1.62 1.02 0.34 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 63 N 9.25 4.96 0.00 2.79 2.92 0.00 0.00 7.10 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 64 I 8.78 4.76 1.90 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 1.27 0.73 0.93 0.00 0.00 65 W 9.12 4.59 0.00 3.06 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 66 D 9.02 4.81 0.00 2.79 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 67 V 8.30 4.75 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 1.22 0.00 0.00 0.92 0.00 0.00 68 G 8.84 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.74 4.58 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 0.00 70 Q 7.86 4.50 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 71 K 8.89 3.74 0.00 1.82 1.86 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.53 7.81 72 S 8.02 4.18 0.00 3.89 3.95 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 73 L 8.08 4.50 0.00 2.01 1.95 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.41 2.51 0.00 1.77 1.44 0.00 2.75 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 75 S 7.73 4.06 0.00 3.71 3.71 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 76 Y 8.17 4.51 0.00 3.31 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 W 8.46 4.96 0.00 3.64 3.57 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 78 R 7.66 2.00 0.00 1.20 1.58 0.00 2.85 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 79 N 7.66 4.36 0.00 2.27 2.36 0.00 0.00 6.75 7.01 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 80 Y 6.88 4.52 0.00 3.06 2.58 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 81 F 7.62 4.63 0.00 2.96 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 82 E 7.92 3.96 0.00 1.90 1.89 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 2.33 2.26 0.00 83 S 8.25 3.72 0.00 4.06 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 84 T 7.38 4.18 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 1.17 0.00 0.00 85 D 9.08 4.53 0.00 2.70 2.64 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 86 G 7.81 4.35 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 0.00 87 L 8.73 5.15 0.00 1.69 1.45 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.69 4.79 1.88 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 1.07 0.73 0.94 0.00 0.00 89 W 9.24 4.83 0.00 3.38 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 90 V 7.77 4.73 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 0.72 0.00 0.00 0.97 0.00 0.00 91 V 8.73 4.30 2.14 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 1.04 0.00 0.00 1.10 0.00 0.00 92 D 8.59 4.81 0.00 2.75 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 93 S 9.37 4.05 0.00 3.92 3.94 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 0.00 0.00 0.00 94 A 8.05 4.59 1.31 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 0.00 0.00 95 D 7.96 4.91 0.00 2.82 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 96 R 7.85 4.11 0.00 1.97 2.08 0.00 3.10 0.00 0.00 3.16 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 97 Q 7.82 4.01 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 98 R 7.96 4.50 0.00 1.97 1.90 0.00 3.24 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 *100 Q 8.23 4.28 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.51 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 101 D 8.01 4.58 0.00 2.92 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 0.00 102 C 8.48 4.41 0.00 3.28 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 0.00 103 Q 8.16 3.85 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 104 R 8.36 3.85 0.00 1.99 1.95 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 105 E 8.12 3.96 0.00 2.28 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 2.72 2.71 0.00 106 L 7.39 3.06 0.00 0.45 1.30 0.28 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 7.69 3.85 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 108 S 8.16 4.19 0.00 3.86 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 0.00 109 L 7.78 3.93 0.00 1.71 1.47 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 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0.00 0.00 2.20 2.20 0.00 144 L 7.50 3.66 0.00 0.92 0.13 0.56 0.54 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 0.00 145 D 7.94 4.64 0.00 2.68 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 0.00 146 S 7.32 4.37 0.00 4.02 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 0.00 147 I 7.54 4.19 1.73 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 0.98 0.00 0.00 148 R 8.32 4.70 0.00 1.83 1.95 0.00 3.38 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 149 S 8.26 4.39 0.00 3.87 3.74 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 0.00 150 H 7.51 5.04 0.00 3.14 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 8.60 5.03 0.00 3.21 3.39 0.00 5.60 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 0.00 152 W 8.15 6.30 0.00 3.27 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 0.00 153 R 8.38 4.04 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.77 0.00 154 I 8.63 4.83 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.20 1.10 0.00 0.00 155 Q 9.28 4.49 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 156 G 8.89 4.05 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 0.00 0.00 0.00 157 C 8.69 4.86 0.00 3.14 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 0.00 158 S 8.51 4.61 0.00 3.87 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 0.00 159 A 8.58 3.99 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 0.00 160 V 7.83 3.76 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 0.74 0.00 0.00 0.96 0.00 0.00 161 T 7.83 4.04 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 1.20 0.00 0.00 162 G 8.46 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 0.00 163 E 7.95 3.98 0.00 1.99 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 2.31 2.29 0.00 164 D 8.65 4.46 0.00 2.95 2.80 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 0.00 0.00 0.00 165 L 8.01 4.18 0.00 1.76 1.73 0.87 0.02 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 0.00 166 L 7.99 4.22 0.00 1.82 2.10 1.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.43 0.00 2.38 2.19 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 168 G 8.23 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.87 3.75 1.87 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.77 0.74 0.00 0.00 170 D 9.01 4.45 0.00 2.90 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 0.00 171 W 7.96 4.00 0.00 3.48 3.43 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 0.00 172 L 8.22 3.05 0.00 1.97 1.87 0.83 0.49 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 0.00 173 L 8.00 3.50 0.00 1.74 1.03 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 174 D 7.98 4.28 0.00 2.63 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 0.00 175 D 7.49 3.98 0.00 1.58 1.81 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 0.00 176 I 7.20 3.67 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.18 0.80 0.00 0.00 177 S 7.48 4.16 0.00 3.95 4.03 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 0.00 178 S 7.71 4.27 0.00 4.07 4.06 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 0.00 179 R 7.53 4.18 0.00 1.87 1.90 0.00 3.05 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 * Residues marked with a * may have inaccurate shift predictions.