NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9481 8.3393 109.7387 45.4416 0.0000 173.4539 -2 S 4.1162 8.5132 116.5111 57.4962 63.7682 171.7539 -1 H 4.3722 9.2610 122.9974 55.7422 31.2446 176.1405 -2 M 4.1262 8.4832 120.4111 54.5962 32.8682 173.4539 -1 G 3.6022 9.1710 113.5974 45.8422 0.0000 176.9405 3 I 4.0811 8.0274 120.6062 59.8598 38.1318 175.6344 4 Q 4.3387 8.5368 126.8051 54.6970 28.7869 174.3351 5 E 4.4158 8.4862 125.1389 55.4233 30.9458 176.7405 6 T 4.2304 8.1103 119.5450 61.6212 68.0792 174.0127 7 D 4.3651 8.4403 127.3320 53.6985 41.0271 175.0424 8 P 4.7221 0.0000 0.0000 63.6376 32.1737 177.9405 9 L 4.0740 8.5530 120.7864 57.6771 41.7802 178.8937 10 T 3.9309 7.9567 108.9601 64.1191 68.4240 176.3696 11 Q 3.9715 7.7646 120.9117 59.1702 28.3349 177.9181 12 L 4.1527 7.8723 118.3014 54.1633 43.1821 176.7215 13 S 3.6112 7.3098 114.5557 59.4200 60.5999 172.4019 14 L 3.9942 7.3356 118.7035 53.5113 42.6563 176.2567 15 P 4.4605 0.0000 0.0000 61.5655 32.0784 174.2385 16 P 4.2863 0.0000 0.0000 64.3707 31.7195 176.7479 17 G 3.9889 8.9957 109.5659 45.3371 0.0000 173.8693 18 F 4.3158 7.5570 118.4701 56.9673 39.6878 175.1853 19 R 4.6360 8.2771 122.3572 54.3934 33.9399 175.2566 20 F 4.6505 8.4580 122.3698 57.5514 38.4536 174.6842 21 Y 4.4938 7.6618 126.0762 55.0886 37.9480 173.5383 22 P 4.4483 0.0000 0.0000 61.9311 32.9812 178.0616 23 T 4.1843 8.4914 111.8279 61.4761 71.0278 175.4903 24 D 4.4613 8.6193 121.1951 57.5739 40.4434 178.7590 25 E 4.0468 8.1478 119.4543 59.1920 29.7412 178.5288 26 E 4.1177 8.3600 118.7894 59.3565 29.4998 179.2647 27 L 4.1054 7.9774 119.0773 57.9493 41.4977 179.6123 28 M 4.1356 8.0042 118.2493 58.3900 32.0452 178.9628 29 V 3.6745 7.9567 118.1410 65.9695 31.7149 177.9132 30 Q 4.0658 8.1786 115.8488 57.8376 29.0232 176.3591 31 Y 4.3765 7.8362 115.7782 59.5842 39.2314 177.5782 32 L 4.2631 8.3712 120.9219 58.6784 42.4778 178.8058 33 C 4.3654 8.4901 116.9853 63.0221 28.2090 176.4253 34 R 4.1591 7.6074 118.5734 58.5683 29.5896 179.0773 35 K 3.7581 8.0097 119.9443 59.3303 31.9137 178.6456 36 A 4.0428 7.5018 118.4299 54.8765 18.3711 178.7723 37 A 4.2341 7.8866 116.8283 52.4886 18.8928 177.9149 38 G 3.6809 7.6363 104.8803 46.0514 0.0000 173.5113 39 Y 3.7667 7.6689 117.7907 57.1637 38.3613 175.9053 40 D 4.2747 8.6706 124.3794 58.0383 41.0501 178.7344 41 F 4.3128 8.0538 114.2880 60.1463 37.2139 177.4989 42 S 4.2561 6.8001 115.1973 61.3343 62.4663 176.3427 43 L 4.0516 7.7935 120.9060 57.1213 41.4075 178.5928 44 Q 4.4593 7.8752 115.3230 56.3386 29.6836 176.9224 45 L 4.5961 7.7135 118.5864 54.1583 42.6702 176.3753 46 I 4.5655 6.8711 115.6179 58.9859 40.3762 175.3374 47 A 4.3076 8.4842 128.6396 51.8382 19.7428 176.0866 48 E 4.5968 8.7529 122.0641 56.0952 30.7162 176.0423 49 I 4.5039 8.9913 122.8736 60.2121 42.4675 173.3913 50 D 4.7478 8.9497 128.1471 52.9197 40.2201 176.7177 51 L 3.9813 8.6342 128.1358 57.7347 42.1032 178.8304 52 Y 4.3705 8.2389 114.7174 58.3826 37.9049 176.5754 53 K 4.1457 7.5913 118.5486 56.4688 32.4915 176.4119 54 F 4.8123 7.2572 116.7452 55.2948 42.9344 174.1165 55 D 3.7123 7.8683 122.4286 52.4909 41.4567 176.1938 56 P 3.6290 0.0000 0.0000 64.9767 31.0959 178.0092 57 W 3.4235 5.8786 113.7992 57.4868 28.5750 177.6562 58 V 3.5839 6.7478 118.8524 64.9183 30.7921 177.7006 59 L 3.6146 7.1134 119.0844 57.0712 41.0276 177.0518 60 P 2.9700 0.0000 0.0000 65.5307 30.8245 178.1190 61 N 4.4571 7.3404 112.2658 55.2527 38.5684 176.6523 62 K 4.1787 7.6489 117.6681 55.6319 31.9350 176.5106 63 A 4.4383 7.1387 122.5122 50.9481 19.6529 178.8097 64 L 4.2234 8.3326 121.4172 57.3160 41.9992 176.7483 65 F 4.7226 6.6176 111.8458 56.0676 40.6965 171.7944 66 G 3.9406 8.1366 105.4582 44.6337 0.0000 172.8185 67 E 4.6133 8.2203 121.6670 57.0504 31.4614 177.2275 68 K 4.2769 7.3847 112.3478 55.3737 34.0013 175.5355 69 E 4.4176 6.5162 117.5391 54.1287 34.1283 174.3416 70 W 4.8033 8.7249 120.7852 55.1063 33.7825 173.8098 71 Y 5.0394 7.8879 119.0280 56.3210 40.7068 174.8786 72 F 5.0121 9.0597 120.2074 56.0551 44.4419 173.2182 73 F 5.6026 9.0959 119.3454 56.1920 41.0688 175.1142 74 S 6.0062 9.4282 117.0289 54.7326 66.2912 171.2879 75 P 4.3056 0.0000 0.0000 62.4627 31.6793 176.2080 76 R 4.1036 8.5749 125.9906 55.2332 30.6659 174.6439 77 D 4.9189 8.6186 132.5057 52.9757 39.9987 176.6673 *86 P 4.0190 0.0000 0.0000 64.1898 32.3703 176.5606 87 N 4.6160 8.6169 115.9813 53.8646 35.7340 173.8789 88 R 4.1337 7.6322 121.8130 55.5846 31.4490 175.7343 89 V 4.3490 8.4162 125.1884 63.0551 32.4801 175.1689 90 A 5.2566 8.4750 128.7227 51.7729 22.9282 176.1015 91 G 3.6666 8.3102 113.2974 47.3479 0.0000 173.9389 92 S 4.8170 9.8865 120.2946 57.5822 63.6697 173.3278 93 G 3.7062 8.0964 109.2656 46.2894 0.0000 171.7592 94 Y 5.4344 7.4213 118.4504 55.8218 41.9567 174.0676 95 W 5.4117 9.4242 121.7848 55.3671 31.5087 174.9432 96 K 5.0272 9.3424 126.1883 54.1575 34.2027 175.1184 97 A 4.7197 8.9118 129.4312 52.8397 18.8744 176.2715 98 T 4.5140 8.4980 115.7675 61.4162 71.0143 175.7260 99 G 3.8618 8.7009 112.9022 45.8091 0.0000 172.3809 100 T 4.5545 8.2583 117.1000 61.4079 70.2388 173.8116 101 D 4.6903 8.6591 126.5376 54.5040 42.1814 175.1682 102 K 4.6655 8.7946 123.5841 54.7099 35.1595 174.6350 103 I 4.7227 8.3077 126.8359 60.2701 38.7328 174.9180 104 I 4.5336 8.8928 127.9507 59.9243 39.0321 174.9684 105 S 5.2757 8.7348 121.9347 56.9235 66.5779 173.4248 106 T 4.6393 8.6933 116.4887 60.3786 69.8116 173.9057 107 E 3.8288 9.9392 128.7674 57.6176 27.0906 175.6053 108 G 3.9425 8.3182 102.7007 45.8958 0.0000 173.3360 109 Q 4.6593 8.1286 119.3852 53.6794 30.9589 175.1217 110 R 4.6283 8.5275 121.4843 56.1864 30.9295 176.5221 111 V 4.4169 8.9146 115.9761 61.8819 35.0387 175.6089 112 G 4.5505 7.8930 105.4207 45.2374 0.0000 171.7708 113 I 5.1298 8.9321 120.7690 59.1510 40.8322 174.6618 114 K 4.5854 8.9153 128.3399 54.4944 34.2052 174.6925 115 K 5.1328 8.9521 128.0568 53.5338 35.3255 174.5154 116 A 5.1356 8.5481 128.5063 51.1596 20.8916 175.8474 117 L 5.4809 9.2406 120.2087 53.2340 46.9436 175.5514 118 V 5.1635 9.0852 120.2886 61.2626 35.2080 174.0659 119 F 4.3002 8.8096 129.6955 57.4674 40.5805 173.6943 120 Y 4.6383 7.6850 123.8552 56.0506 40.4825 174.8782 121 I 3.9949 7.9107 124.5162 61.6214 38.6418 174.6715 122 G 4.1356 8.9301 111.1691 43.9136 0.0000 171.8496 123 K 4.6936 8.7045 120.3879 53.9703 34.5683 176.4671 124 A 3.9297 8.1754 129.2340 51.8814 18.8233 175.2098 125 P 4.7643 0.0000 0.0000 63.1130 31.8326 176.0819 126 K 4.5633 8.3019 114.7501 57.2412 32.9069 177.0547 127 G 4.2216 7.9358 106.7908 45.9814 0.0000 173.6459 128 T 4.8832 8.2584 110.4540 59.1795 71.2243 174.0312 129 K 3.0871 8.5280 126.3866 56.5362 32.9668 175.5735 130 T 4.6493 7.8620 116.3699 59.8674 71.7914 173.4117 131 N 4.6031 8.5416 116.1619 53.5456 39.9433 175.2479 132 W 4.7227 8.1375 121.1537 56.6226 30.3195 175.3736 133 I 5.3308 9.0168 125.8820 59.6871 40.2023 174.2710 134 M 5.2266 9.2315 124.7664 54.0535 35.7556 173.8561 135 H 5.3421 9.3752 122.8385 54.2423 31.5098 172.8074 136 E 5.0259 9.2662 126.3574 54.9510 31.2907 174.0248 137 Y 5.2391 9.5007 126.2762 56.5426 40.0504 175.1781 138 R 5.1474 8.9764 120.0355 54.1863 33.2728 174.7357 139 L 4.7107 8.6322 120.6185 54.8055 42.8273 177.2339 140 I 4.2196 8.3541 124.4391 61.3957 36.8567 175.2966 141 E 4.6657 8.3928 121.6682 54.5022 31.5388 174.0129 142 P 4.2983 0.0000 0.0000 62.6184 31.8499 175.9861 143 S 4.1391 8.2641 115.3039 58.2079 62.1274 173.6372 *152 D 4.2202 8.2436 124.2878 53.9853 41.9733 174.0262 153 D 4.8310 7.8003 120.1419 52.3133 43.0347 174.2123 154 W 5.4795 8.8422 124.5597 54.9623 33.0277 175.3713 155 V 4.8163 9.1339 115.0151 59.8553 34.5731 174.4921 156 L 5.2489 8.9679 125.3697 53.8481 44.0430 174.8384 157 C 5.6128 9.3699 124.1494 58.0519 31.6192 172.8421 158 R 4.4648 9.0183 124.2893 55.0715 31.6728 174.8717 159 I 5.3551 8.7459 127.2263 59.9445 40.4956 174.1988 160 Y 5.4468 9.0128 123.1538 56.2445 42.0941 173.0238 161 K 4.3456 8.4558 120.9319 53.8658 33.6703 175.6023 162 K 4.0643 8.3796 129.6583 57.6325 33.0852 176.4761 163 Q 3.9627 8.6533 125.2997 56.5975 29.7713 173.0349 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 -3 G 8.34 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 0.00 0.00 0.00 -2 S 8.51 4.12 0.00 4.08 3.89 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 0.00 0.00 0.00 -1 H 9.26 4.37 0.00 3.09 3.27 0.00 5.95 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 8.48 4.13 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 -1 G 9.17 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 3 I 8.03 4.08 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.92 0.00 0.00 4 Q 8.54 4.34 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 5 E 8.49 4.42 0.00 2.01 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 0.00 2.27 2.33 0.00 6 T 8.11 4.23 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 7 D 8.44 4.37 0.00 2.68 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 8 P 0.00 4.72 0.00 2.21 2.17 0.00 3.44 0.00 0.00 4.51 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 9 L 8.55 4.07 0.00 1.72 1.57 0.66 0.05 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 10 T 7.96 3.93 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 1.23 0.00 0.00 11 Q 7.76 3.97 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 12 L 7.87 4.15 0.00 1.66 1.64 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.31 3.61 0.00 3.86 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 14 L 7.34 3.99 0.00 1.57 1.57 0.81 0.92 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 15 P 0.00 4.46 0.00 2.51 2.06 0.00 3.02 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 16 P 0.00 4.29 0.00 2.07 2.03 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 17 G 9.00 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 18 F 7.56 4.32 0.00 3.15 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 19 R 8.28 4.64 0.00 1.91 1.63 0.00 3.31 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 20 F 8.46 4.65 0.00 2.82 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 21 Y 7.66 4.49 0.00 2.94 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 22 P 0.00 4.45 0.00 1.77 1.18 0.00 3.23 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 23 T 8.49 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 1.20 0.00 0.00 24 D 8.62 4.46 0.00 2.82 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 E 8.15 4.05 0.00 2.07 1.97 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 2.40 2.43 0.00 26 E 8.36 4.12 0.00 2.21 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 2.36 2.37 0.00 27 L 7.98 4.11 0.00 1.49 1.32 0.39 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.00 4.14 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.00 0.00 29 V 7.96 3.67 2.19 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 1.03 0.00 0.00 0.97 0.00 0.00 30 Q 8.18 4.07 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 31 Y 7.84 4.38 0.00 3.32 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 32 L 8.37 4.26 0.00 1.99 2.05 1.34 1.21 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 33 C 8.49 4.37 0.00 3.30 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 34 R 7.61 4.16 0.00 1.79 1.83 0.00 2.42 0.00 0.00 2.78 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 35 K 8.01 3.76 0.00 1.46 1.61 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.98 7.81 36 A 7.50 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 37 A 7.89 4.23 1.46 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 38 G 7.64 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.67 3.77 0.00 2.67 2.34 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 40 D 8.67 4.27 0.00 2.78 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 41 F 8.05 4.31 0.00 3.34 3.30 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 42 S 6.80 4.26 0.00 3.72 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 43 L 7.79 4.05 0.00 1.81 1.69 0.75 0.61 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 44 Q 7.88 4.46 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 45 L 7.71 4.60 0.00 1.89 1.72 1.02 0.54 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 46 I 6.87 4.57 1.75 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.46 0.30 0.00 0.00 47 A 8.48 4.31 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 48 E 8.75 4.60 0.00 1.84 1.91 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 1.47 1.86 0.00 49 I 8.99 4.50 1.96 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.19 1.00 0.00 0.00 50 D 8.95 4.75 0.00 2.83 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 51 L 8.63 3.98 0.00 1.69 1.28 0.87 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.24 4.37 0.00 3.13 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 4.15 0.00 0.99 0.74 0.00 1.40 0.00 0.00 1.42 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.24 7.81 54 F 7.26 4.81 0.00 2.69 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 55 D 7.87 3.71 0.00 1.58 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 56 P 0.00 3.63 0.00 0.67 2.00 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.44 0.00 57 W 5.88 3.42 0.00 3.32 3.21 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 58 V 6.75 3.58 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 0.78 0.00 0.00 0.63 0.00 0.00 59 L 7.11 3.61 0.00 1.50 1.44 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 2.97 0.00 1.68 0.92 0.00 3.18 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.48 0.00 61 N 7.34 4.46 0.00 2.59 2.79 0.00 0.00 7.04 7.49 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 62 K 7.65 4.18 0.00 1.44 1.66 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 0.90 7.81 63 A 7.14 4.44 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 64 L 8.33 4.22 0.00 1.80 1.89 1.05 0.84 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 65 F 6.62 4.72 0.00 3.27 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 66 G 8.14 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 67 E 8.22 4.61 0.00 1.88 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 2.27 2.32 0.00 68 K 7.38 4.28 0.00 1.51 1.64 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.37 7.81 69 E 6.52 4.42 0.00 1.48 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 1.95 2.06 0.00 70 W 8.72 4.80 0.00 3.33 2.60 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 71 Y 7.89 5.04 0.00 2.38 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 72 F 9.06 5.01 0.00 2.92 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 73 F 9.10 5.60 0.00 2.64 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 74 S 9.43 6.01 0.00 4.10 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 75 P 0.00 4.31 0.00 1.88 1.67 0.00 3.90 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 76 R 8.57 4.10 0.00 1.83 1.94 0.00 3.33 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 77 D 8.62 4.92 0.00 2.53 1.74 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 *86 P 0.00 4.02 0.00 2.22 2.09 0.00 3.88 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 1.87 1.99 0.00 87 N 8.62 4.62 0.00 2.62 2.62 0.00 0.00 7.24 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 88 R 7.63 4.13 0.00 1.89 2.03 0.00 2.80 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 89 V 8.42 4.35 2.16 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 0.92 0.00 0.00 0.97 0.00 0.00 90 A 8.48 5.26 1.49 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 0.00 0.00 91 G 8.31 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 9.89 4.82 0.00 4.10 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 93 G 8.10 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 94 Y 7.42 5.43 0.00 3.03 2.94 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 95 W 9.42 5.41 0.00 3.63 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 96 K 9.34 5.03 0.00 1.99 1.93 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.45 1.58 7.81 97 A 8.91 4.72 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.50 4.51 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 1.35 0.00 0.00 99 G 8.70 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 0.00 100 T 8.26 4.55 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 1.22 0.00 0.00 101 D 8.66 4.69 0.00 2.61 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 0.00 102 K 8.79 4.67 0.00 1.80 1.59 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 103 I 8.31 4.72 1.89 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 1.36 0.99 0.94 0.00 0.00 104 I 8.89 4.53 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 1.04 0.00 0.00 105 S 8.73 5.28 0.00 3.73 3.75 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 0.00 106 T 8.69 4.64 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 107 E 9.94 3.83 0.00 2.12 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 2.24 2.29 0.00 108 G 8.32 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 0.00 109 Q 8.13 4.66 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 110 R 8.53 4.63 0.00 1.83 1.90 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 111 V 8.91 4.42 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 0.73 0.00 0.00 1.06 0.00 0.00 112 G 7.89 4.55 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 0.00 113 I 8.93 5.13 1.90 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 1.14 0.78 0.97 0.00 0.00 114 K 8.92 4.59 0.00 1.43 1.47 0.00 1.32 0.00 0.00 1.42 0.00 0.00 2.50 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.96 0.23 7.81 115 K 8.95 5.13 0.00 1.82 1.71 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.33 7.81 116 A 8.55 5.14 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 0.00 117 L 9.24 5.48 0.00 1.74 1.98 0.90 0.72 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 0.00 118 V 9.09 5.16 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 0.91 0.00 0.00 1.05 0.00 0.00 119 F 8.81 4.30 0.00 1.51 2.51 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 0.00 120 Y 7.69 4.64 0.00 1.43 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 0.00 0.00 0.00 0.00 121 I 7.91 3.99 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 1.05 0.00 0.00 122 G 8.93 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.70 4.69 0.00 1.78 1.66 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 124 A 8.18 3.93 0.32 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 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.76 0.00 2.12 2.01 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 126 K 8.30 4.56 0.00 1.86 1.83 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.33 7.81 127 G 7.94 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 0.00 0.00 0.00 0.00 128 T 8.26 4.88 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 1.24 0.00 0.00 129 K 8.53 3.09 0.00 1.28 1.49 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.14 0.86 7.81 130 T 7.86 4.65 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 1.38 0.00 0.00 131 N 8.54 4.60 0.00 2.43 2.84 0.00 0.00 6.85 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 0.00 132 W 8.14 4.72 0.00 3.28 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 0.00 133 I 9.02 5.33 0.71 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 0.84 0.86 0.89 0.00 0.00 134 M 9.23 5.23 0.00 1.35 0.62 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 135 H 9.38 5.34 0.00 3.27 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.27 5.03 0.00 2.01 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 2.32 2.38 0.00 137 Y 9.50 5.24 0.00 3.17 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 0.00 138 R 8.98 5.15 0.00 1.93 2.08 0.00 2.82 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 139 L 8.63 4.71 0.00 1.64 1.71 1.15 1.01 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 0.00 140 I 8.35 4.22 1.91 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 1.33 0.64 0.94 0.00 0.00 141 E 8.39 4.67 0.00 2.04 1.90 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 2.16 2.29 0.00 142 P 0.00 4.30 0.00 2.07 2.08 0.00 3.69 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 2.04 2.13 0.00 143 S 8.26 4.14 0.00 3.85 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 *152 D 8.24 4.22 0.00 2.74 2.79 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 0.00 153 D 7.80 4.83 0.00 2.70 2.32 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 0.00 0.00 0.00 0.00 154 W 8.84 5.48 0.00 3.21 3.29 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 0.00 155 V 9.13 4.82 2.36 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 0.90 0.00 0.00 1.20 0.00 0.00 156 L 8.97 5.25 0.00 1.99 1.72 0.60 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 157 C 9.37 5.61 0.00 3.00 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 0.00 158 R 9.02 4.46 0.00 1.71 1.93 0.00 3.06 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.14 0.00 159 I 8.75 5.36 2.33 0.00 0.00 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 1.52 1.38 1.32 0.00 0.00 160 Y 9.01 5.45 0.00 3.10 2.94 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 0.00 161 K 8.46 4.35 0.00 0.79 1.31 0.00 1.17 0.00 0.00 1.33 0.00 0.00 2.32 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.77 0.21 7.81 162 K 8.38 4.06 0.00 1.86 1.64 0.00 1.96 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.51 7.81 163 Q 8.65 3.96 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.