NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.5333 8.2393 119.0733 56.3015 31.0974 175.1731 5 T 4.2250 8.6803 113.5904 58.7741 70.1130 173.2307 6 R 3.9491 9.0073 124.1653 59.5361 31.3810 178.7965 7 A 4.1613 8.1368 120.1996 55.4608 18.5968 180.1206 8 E 4.3165 8.2655 113.3092 57.0415 29.0278 178.9471 *10 E 4.2376 8.2974 120.8178 56.5163 31.8118 177.9465 11 E 3.9301 8.4502 118.9921 59.6452 29.5918 179.0480 12 T 3.8232 8.1140 115.8983 66.5089 68.4279 176.3962 13 R 3.7058 8.0221 119.8988 59.5638 30.0537 178.1048 14 A 4.0430 8.1222 120.5320 55.3974 18.3448 179.7061 15 T 3.8477 7.9719 108.3235 65.0290 68.7623 176.8431 16 L 3.9977 8.2326 122.1012 57.2391 41.5817 179.2527 17 L 3.8129 8.3793 120.4355 57.9894 42.0693 178.9043 18 A 3.9620 8.0697 120.7532 55.4759 18.2399 179.7985 19 T 3.7459 8.0621 114.0813 66.5602 68.4381 176.7365 20 A 3.4384 8.1450 123.0890 55.0758 18.3285 179.7984 21 R 3.9428 7.9984 116.5404 59.2957 30.1677 179.2592 22 K 3.8990 7.9170 119.3058 59.4817 32.1575 179.1300 23 V 3.5357 7.8513 118.7447 66.0769 31.3752 178.0500 24 F 4.5880 8.3267 117.9504 60.5492 38.4328 177.6910 25 S 4.1409 7.9582 112.3058 61.4684 62.3100 175.7837 26 E 4.1420 8.0777 120.1061 58.7650 29.3414 178.5467 27 R 4.4727 8.6200 116.1259 54.5679 32.0792 177.3493 28 G 4.0152 8.1040 106.4506 45.8677 0.0000 173.7507 29 Y 3.2540 8.6584 123.5953 60.2994 39.0553 178.1390 30 A 3.8884 8.0042 120.6946 55.1301 18.5798 178.2247 31 D 4.3976 7.4968 114.1225 56.0774 41.1141 176.3449 32 T 4.7391 7.3488 116.2482 61.6235 70.8379 174.0715 33 S 4.7903 8.5738 130.8603 57.8912 62.0704 176.5503 *35 D 4.5725 8.9195 118.3158 54.3368 42.5124 176.9705 36 D 4.3227 8.3396 119.1856 57.2765 40.7501 178.6232 37 L 3.8550 7.9812 120.7508 58.3048 42.0792 178.9367 38 T 3.7973 7.8641 114.9919 66.6282 68.4906 176.1998 39 A 3.9636 8.1003 122.4300 55.4500 18.2624 179.8205 40 Q 3.9718 8.3427 115.3535 58.2107 28.8306 177.7964 41 A 4.4010 7.8813 118.9259 50.5354 19.9484 176.3735 42 S 3.5999 7.5837 110.7378 59.1527 61.4377 172.2946 43 L 4.4316 7.7487 117.8313 53.5875 43.0598 177.6003 44 T 3.9859 8.1551 111.0566 61.1872 69.3953 173.8396 45 R 4.0140 8.4767 124.0428 58.4364 30.3953 176.7717 46 G 4.1295 9.1450 113.0445 45.7754 0.0000 175.0201 47 A 4.0452 8.0388 121.8679 55.3510 18.3337 179.6874 48 L 4.1898 7.8592 116.9363 58.2716 41.7056 179.2360 49 Y 4.3543 7.7453 116.2084 61.3512 37.6416 177.8663 50 H 4.1840 8.5520 118.6389 59.6909 30.0456 176.6880 51 H 4.0286 8.1563 116.7523 57.5145 29.0292 176.7019 52 F 4.8876 8.6235 117.1862 56.5239 40.2966 176.7395 53 G 4.3926 9.9003 113.4593 45.2580 0.0000 173.8381 54 D 4.9872 7.5103 117.4304 50.2408 43.7695 175.7084 55 K 4.0271 8.7501 119.3365 59.7201 32.0210 178.5453 56 K 4.1821 8.2912 118.4565 59.4095 31.9924 179.3393 57 G 3.7897 8.8061 107.7246 47.0714 0.0000 175.4567 58 L 3.5225 8.0509 122.8631 57.6984 42.0825 178.6474 59 L 3.8928 8.3757 120.3933 58.3114 41.8719 178.7743 60 A 3.9999 8.3507 120.5502 55.1655 18.1364 179.5269 61 A 3.9834 7.9956 119.3196 55.1133 18.4139 179.9922 62 V 3.5152 8.0341 117.0986 66.1633 31.6495 178.3247 63 V 3.5315 8.0954 118.3291 66.0120 31.3242 177.2988 64 E 3.9214 8.4241 119.1963 59.5862 29.3859 178.9994 65 Q 3.9656 7.8862 117.7730 59.0415 28.6043 178.6118 66 I 3.6901 7.6792 119.5677 64.5234 37.2201 177.7646 67 D 4.5180 8.4687 118.4471 57.4580 40.9867 178.4726 68 A 4.2219 7.9842 121.0665 55.1039 18.3058 180.1222 69 E 3.7767 8.0061 114.0009 57.1776 29.2014 178.5186 *71 D 4.5420 8.0471 120.7954 54.3592 43.3040 177.0987 72 E 3.9394 8.2144 119.2346 59.4117 29.4291 179.0560 73 R 3.9376 7.9950 118.0868 59.2169 29.6222 179.1479 74 L 4.0092 7.8250 118.3283 57.8036 41.7474 179.0251 75 Q 3.9854 8.4371 119.6112 59.2189 29.0717 178.2812 76 A 4.0058 8.1079 121.7759 54.9853 18.1129 179.6935 77 I 3.6536 7.3513 118.0591 64.6661 37.3177 178.5052 78 S 4.3501 7.8237 113.9504 61.0703 62.8269 176.1634 79 D 4.4715 8.2090 122.5802 56.9011 40.6581 177.7744 80 T 4.2691 7.6151 107.2165 61.0742 69.8069 175.1315 81 A 4.0757 7.1414 126.7802 53.1851 19.0651 178.1764 82 E 4.1593 8.8749 118.4139 57.8516 30.4595 175.8138 83 D 5.0614 7.8031 118.6966 52.2810 44.0289 176.4993 84 D 4.4261 8.7509 126.6979 56.9565 40.9511 178.5912 85 W 4.4298 8.3396 128.6777 60.7237 30.7946 177.8237 86 E 3.9325 8.9384 118.7353 59.1683 28.7696 179.5755 87 G 3.5928 8.3817 106.1720 47.5699 0.0000 175.6440 88 F 4.0967 8.2080 122.9441 61.0906 39.3447 177.4197 89 R 3.2404 7.5432 117.7639 59.2223 29.7339 178.6217 90 C 3.9852 8.1538 118.7368 62.2676 31.5407 175.5992 91 R 3.8027 8.0083 120.4252 59.5778 29.1860 178.2568 92 C 3.9349 7.7513 116.5536 62.9150 27.9953 176.3796 93 R 3.9100 8.1444 119.6942 59.1802 29.3835 178.9715 94 A 4.2815 7.9472 121.2122 54.6279 18.3786 178.6330 95 Y 3.9740 7.7532 117.3025 60.9108 38.9403 178.2242 96 L 4.2270 7.5230 117.5728 57.4641 42.2415 180.5470 97 E 4.0969 8.4861 121.2698 55.6902 28.8412 178.5516 *99 A 4.1619 7.9633 121.4175 51.6910 20.6251 177.9465 100 L 4.4512 7.5555 113.7046 54.6383 42.6816 177.1984 101 E 4.1464 7.8255 120.3187 55.2236 30.8695 175.3667 102 P 4.2352 0.0000 0.0000 65.7908 31.3798 178.4526 103 E 3.9166 8.0544 117.3456 59.2893 29.6875 178.7895 104 I 3.6149 7.5855 119.3214 64.3167 36.9064 177.7589 105 Q 3.9228 8.3254 120.8198 59.4661 28.8196 178.6629 106 R 3.8933 7.9168 118.5612 58.9836 30.4274 179.0085 107 I 3.7375 7.9277 120.8160 63.6741 37.0590 178.6906 108 V 3.6314 7.5414 118.2238 65.6110 31.6268 177.4478 109 L 4.6962 7.8678 115.5102 55.8302 42.0924 177.3041 110 R 4.4784 7.3667 115.5867 57.8073 31.8093 177.7034 111 D 4.1731 8.5961 118.1635 57.4692 40.9298 178.8305 112 A 3.9355 8.2241 121.5867 54.9082 17.8811 179.4343 113 R 3.8651 7.6599 115.6797 59.8522 29.9191 178.6775 114 A 4.0209 7.7948 118.8129 54.6508 18.5006 179.1719 115 V 3.8740 7.9462 115.9270 64.5881 32.0934 176.7396 116 L 4.4685 7.9181 115.4066 53.9161 42.5913 176.7333 117 G 3.7039 7.8826 105.7035 46.3078 0.0000 175.4770 118 G 3.9085 8.1828 108.8892 44.1431 0.0000 173.6704 119 A 4.2100 8.6049 122.0276 51.7771 19.1899 178.7041 120 S 4.3687 8.5036 116.7180 57.7361 65.1086 173.6849 121 P 4.2438 0.0000 0.0000 66.1487 30.9984 178.6852 122 D 4.3281 8.0514 116.9721 57.4536 40.8613 178.5663 123 S 4.0699 8.1701 113.5508 61.4043 62.2766 176.1663 124 Q 3.7112 8.3133 120.8634 59.0938 28.4395 179.1330 125 R 3.8351 8.1746 119.1807 59.3152 30.1279 178.5730 126 H 4.0335 8.3725 118.2093 59.5131 29.6409 177.1605 127 C 4.0143 7.6597 117.2543 62.6589 27.9151 175.9451 128 V 3.6274 7.4132 119.1054 65.9961 31.4922 177.5824 129 E 4.1178 8.2818 118.5149 59.2675 28.7898 179.5066 130 S 4.0273 7.6429 109.3617 59.1435 62.0378 175.3031 *132 Q 4.2448 7.9947 122.8076 55.7768 30.7830 177.2557 133 R 3.9219 7.9125 116.5873 59.1842 30.0451 178.8223 134 L 3.9254 7.6225 119.3509 58.2533 42.1127 178.8748 135 I 3.5838 7.7600 119.2460 64.4018 36.9738 177.4630 136 D 4.3033 8.3932 119.1112 57.4514 40.9573 177.7736 137 N 4.2520 8.0580 117.2341 57.0097 38.9504 176.8293 138 L 4.0148 8.0205 120.0757 57.6375 41.6275 179.6850 139 I 4.0215 8.0332 121.6870 63.9749 36.8479 178.5689 140 R 3.9404 8.0318 117.9919 59.4036 30.0072 178.7875 141 Q 4.1955 8.1592 116.1544 56.5955 28.6897 177.3886 142 G 3.8612 7.7851 107.7934 45.9270 0.0000 174.9244 143 V 3.5770 7.8738 121.3754 64.9131 31.8827 175.8588 144 V 4.6598 7.3068 119.1044 60.7224 33.2406 175.0601 145 A 4.1523 8.6830 129.9021 51.8149 19.1650 177.1370 146 E 4.0705 8.6752 119.2256 56.9268 29.9766 176.4858 147 A 4.3233 8.0529 124.5304 50.0458 22.1180 175.6702 148 D 4.4554 8.3091 119.2461 53.4797 42.1542 175.0349 149 P 4.2353 0.0000 0.0000 65.8942 31.4582 178.4282 150 Q 3.9056 8.1230 117.4636 58.9695 29.2078 177.6829 151 A 3.9991 8.4356 121.9472 55.3002 18.4030 179.4544 152 L 3.9458 8.1366 118.5566 58.1573 42.0649 178.9645 153 A 4.0685 8.3833 121.3771 54.9686 18.2557 179.7247 154 S 4.1568 8.2544 112.8709 61.6112 63.0653 176.7614 155 L 3.9758 7.8396 122.5009 57.4387 41.4156 179.5537 156 I 3.6782 7.9326 119.5983 64.5888 37.0653 177.6479 157 Y 4.0130 8.3333 120.7457 60.7975 38.5377 178.5463 158 G 3.4544 8.2115 106.6347 47.6683 0.0000 175.7068 159 S 4.0590 7.9803 116.6823 61.2130 62.8818 176.7293 160 L 3.8173 7.6268 122.5578 57.1571 41.4227 179.2487 161 A 3.8086 7.5714 121.1059 55.0316 18.2236 179.3836 162 E 4.0928 8.1138 117.5711 59.3996 29.7135 178.7932 163 A 4.1561 8.2709 120.8064 55.0963 18.4020 179.4360 164 A 3.9808 8.3566 119.4841 55.3279 18.2339 179.6850 165 F 4.4658 7.6791 114.8423 60.6752 39.3920 177.4409 166 W 4.6595 8.5004 129.0493 60.1933 30.4413 178.0483 167 I 3.3024 8.4130 119.9565 64.1916 36.3442 178.0201 168 A 4.0909 7.9089 119.6697 54.1098 18.6653 178.8808 169 E 4.1476 8.0396 117.3361 57.5992 29.7227 177.4463 170 G 3.6472 6.9108 110.0445 45.7801 0.0000 174.3667 171 E 4.0442 8.6267 117.9106 57.7269 30.5189 177.2450 172 D 4.8352 7.5513 118.8319 52.1943 40.5914 176.2653 173 G 3.5423 7.9508 110.2227 47.3682 0.0000 172.1060 174 N 4.3003 8.0855 118.0024 55.9962 38.7007 177.0904 175 A 3.9559 8.1934 121.9896 55.3667 18.5639 179.9051 176 R 4.0611 7.7553 117.8593 58.5625 29.9008 178.8876 177 L 3.9399 8.3689 120.3218 58.2683 42.0348 178.9017 178 A 4.0037 7.7890 120.2495 55.3505 17.9789 179.6021 179 Q 4.1159 8.2175 116.4040 59.0729 28.8157 179.2982 180 G 3.7956 8.9120 107.0769 47.9184 0.0000 175.9140 181 V 3.6127 8.1699 120.9858 65.5539 31.5589 177.9890 182 A 3.9827 8.2723 120.4168 55.0749 18.3368 179.5282 183 A 3.9270 8.2022 119.3936 55.0979 18.3757 179.3539 184 L 3.8738 8.3056 119.3446 58.6336 42.1994 179.0914 185 E 3.9806 8.1861 118.2229 59.4778 29.1225 179.4510 186 L 4.0712 7.3606 117.5990 57.7513 41.4946 179.1906 187 L 4.1791 7.8566 118.5358 57.8332 41.5849 179.5672 188 L 4.1080 8.4563 119.4551 57.4883 41.4861 179.5617 189 R 4.3524 8.2622 116.0418 59.0179 29.1032 178.9606 190 G 3.7070 7.5902 105.1604 47.0143 0.0000 175.3869 191 L 4.1267 8.0722 121.2295 56.3477 41.7017 177.2950 192 L 4.1316 6.8039 118.9514 54.1385 42.2224 177.3481 193 V 3.5448 8.2309 123.6369 65.0916 31.6047 176.1544 194 K 4.4183 7.4454 119.9744 53.4347 33.8129 173.7259 195 P 4.3247 0.0000 0.0000 62.8478 32.0115 176.6620 196 R 4.2141 8.3314 118.5813 56.4412 30.3488 176.2137 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 R 8.24 4.53 0.00 1.85 1.79 0.00 3.23 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 1.45 1.20 0.00 5 T 8.68 4.23 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 6 R 9.01 3.95 0.00 2.04 2.01 0.00 3.36 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.00 7 A 8.14 4.16 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 8 E 8.27 4.32 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 2.33 2.29 0.00 *10 E 8.30 4.24 0.00 2.21 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 2.30 2.44 0.00 11 E 8.45 3.93 0.00 2.04 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 2.31 2.36 0.00 12 T 8.11 3.82 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 1.16 0.00 0.00 13 R 8.02 3.71 0.00 1.84 2.12 0.00 3.14 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.51 0.00 14 A 8.12 4.04 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 15 T 7.97 3.85 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 1.30 0.00 0.00 16 L 8.23 4.00 0.00 2.06 1.93 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.38 3.81 0.00 2.04 1.81 0.78 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.07 3.96 1.36 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 0.00 0.00 0.00 19 T 8.06 3.75 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 1.12 0.00 0.00 20 A 8.15 3.44 0.94 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 21 R 8.00 3.94 0.00 2.03 2.01 0.00 3.22 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 22 K 7.92 3.90 0.00 1.80 1.90 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 23 V 7.85 3.54 1.79 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 1.00 0.00 0.00 0.85 0.00 0.00 24 F 8.33 4.59 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 25 S 7.96 4.14 0.00 4.00 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 26 E 8.08 4.14 0.00 2.40 2.00 0.00 0.00 0.00 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 2.22 0.00 27 R 8.62 4.47 0.00 1.89 1.99 0.00 3.31 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 28 G 8.10 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 29 Y 8.66 3.25 0.00 2.56 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 30 A 8.00 3.89 1.30 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 0.00 0.00 0.00 31 D 7.50 4.40 0.00 2.79 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 32 T 7.35 4.74 4.50 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 0.00 0.00 0.00 1.25 0.00 0.00 33 S 8.57 4.79 0.00 4.00 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 *35 D 8.92 4.57 0.00 2.78 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 36 D 8.34 4.32 0.00 2.90 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 37 L 7.98 3.85 0.00 1.74 1.54 0.66 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.86 3.80 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 1.25 0.00 0.00 39 A 8.10 3.96 1.36 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 0.00 0.00 0.00 40 Q 8.34 3.97 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 41 A 7.88 4.40 1.28 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 0.00 0.00 0.00 0.00 0.00 42 S 7.58 3.60 0.00 3.97 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 43 L 7.75 4.43 0.00 1.66 1.57 0.88 0.72 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 44 T 8.16 3.99 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 45 R 8.48 4.01 0.00 1.81 1.93 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 46 G 9.14 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 0.00 0.00 0.00 0.00 47 A 8.04 4.05 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 48 L 7.86 4.19 0.00 1.48 1.70 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.75 4.35 0.00 3.20 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 50 H 8.55 4.18 0.00 3.18 3.58 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.16 4.03 0.00 2.60 2.13 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.62 4.89 0.00 3.19 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 53 G 9.90 4.39 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 0.00 54 D 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7.62 4.27 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 1.30 0.00 0.00 81 A 7.14 4.08 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 82 E 8.87 4.16 0.00 2.00 1.87 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 2.23 1.86 0.00 83 D 7.80 5.06 0.00 2.80 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 84 D 8.75 4.43 0.00 2.82 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 85 W 8.34 4.43 0.00 3.40 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 86 E 8.94 3.93 0.00 2.18 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 2.71 2.54 0.00 87 G 8.38 3.59 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 0.00 0.00 0.00 88 F 8.21 4.10 0.00 3.05 3.05 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.17 4.07 0.00 3.91 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 0.00 124 Q 8.31 3.71 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 125 R 8.17 3.84 0.00 1.97 1.96 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 126 H 8.37 4.03 0.00 3.27 3.42 0.00 5.59 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 0.00 127 C 7.66 4.01 0.00 2.24 2.48 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 0.00 128 V 7.41 3.63 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 0.81 0.00 0.00 0.88 0.00 0.00 129 E 8.28 4.12 0.00 2.09 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 2.38 0.00 130 S 7.64 4.03 0.00 3.83 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 *132 Q 7.99 4.24 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 133 R 7.91 3.92 0.00 2.11 1.97 0.00 3.18 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 1.64 1.81 0.00 134 L 7.62 3.93 0.00 1.82 1.72 0.99 1.22 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 0.00 135 I 7.76 3.58 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.88 0.00 0.00 136 D 8.39 4.30 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 0.00 137 N 8.06 4.25 0.00 2.82 3.00 0.00 0.00 7.31 6.82 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 0.00 138 L 8.02 4.01 0.00 1.81 1.68 0.72 0.88 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 0.00 139 I 8.03 4.02 1.97 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 1.78 1.71 0.91 0.00 0.00 140 R 8.03 3.94 0.00 1.93 1.99 0.00 3.18 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 141 Q 8.16 4.20 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.13 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 142 G 7.79 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.87 3.58 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 0.79 0.00 0.00 0.93 0.00 0.00 144 V 7.31 4.66 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 145 A 8.68 4.15 1.17 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 0.00 0.00 146 E 8.68 4.07 0.00 1.84 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 2.29 2.25 0.00 147 A 8.05 4.32 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.31 4.46 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.24 0.00 2.19 2.09 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 150 Q 8.12 3.91 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 151 A 8.44 4.00 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 0.00 152 L 8.14 3.95 0.00 1.79 1.68 0.96 0.87 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 0.00 153 A 8.38 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.25 4.16 0.00 4.13 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 0.00 155 L 7.84 3.98 0.00 1.96 1.78 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.93 3.68 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 0.97 0.00 0.00 157 Y 8.33 4.01 0.00 2.98 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 0.00 158 G 8.21 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 S 7.98 4.06 0.00 4.01 4.08 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 0.00 160 L 7.63 3.82 0.00 1.19 1.11 0.60 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.57 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.11 4.09 0.00 2.24 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 2.33 2.46 0.00 163 A 8.27 4.16 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 0.00 164 A 8.36 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 0.00 165 F 7.68 4.47 0.00 3.40 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 0.00 166 W 8.50 4.66 0.00 3.48 3.53 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 0.00 0.00 0.00 0.00 167 I 8.41 3.30 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.84 0.00 0.00 168 A 7.91 4.09 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.04 4.15 0.00 2.15 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 2.31 2.50 0.00 170 G 6.91 3.65 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 0.00 0.00 0.00 171 E 8.63 4.04 0.00 2.00 1.88 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 2.23 1.86 0.00 172 D 7.55 4.84 0.00 2.58 2.48 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 0.00 173 G 7.95 3.54 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 0.00 174 N 8.09 4.30 0.00 2.87 2.86 0.00 0.00 7.03 7.37 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 0.00 175 A 8.19 3.96 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 0.00 176 R 7.76 4.06 0.00 1.61 1.10 0.00 2.38 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.24 0.00 177 L 8.37 3.94 0.00 1.74 1.89 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 178 A 7.79 4.00 1.33 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 0.00 0.00 0.00 0.00 0.00 179 Q 8.22 4.12 0.00 2.62 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 180 G 8.91 3.80 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 0.00 0.00 0.00 181 V 8.17 3.61 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 0.99 0.00 0.00 0.96 0.00 0.00 182 A 8.27 3.98 1.41 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 0.00 0.00 0.00 183 A 8.20 3.93 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 0.00 184 L 8.31 3.87 0.00 1.79 1.91 0.85 0.81 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 0.00 185 E 8.19 3.98 0.00 2.21 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 2.59 2.51 0.00 186 L 7.36 4.07 0.00 1.93 1.74 0.92 0.99 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 0.00 187 L 7.86 4.18 0.00 1.92 1.75 0.90 0.50 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 0.00 188 L 8.46 4.11 0.00 1.85 2.06 0.62 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.26 4.35 0.00 2.17 2.46 0.00 2.82 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 190 G 7.59 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 0.00 0.00 0.00 191 L 8.07 4.13 0.00 1.99 1.77 1.14 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 192 L 6.80 4.13 0.00 1.42 1.37 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.23 3.54 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 0.65 0.00 0.00 0.86 0.00 0.00 194 K 7.45 4.42 0.00 1.89 1.55 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.30 0.98 7.81 195 P 0.00 4.32 0.00 2.05 1.94 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 196 R 8.33 4.21 0.00 1.82 1.84 0.00 3.34 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.