NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4818 8.3049 120.3730 55.1866 33.5734 175.0840 2 L 4.1435 8.3545 123.0926 52.8689 41.8118 175.7808 3 D 4.2755 8.7405 127.2729 57.0830 41.9727 178.8592 4 A 3.8903 7.6431 120.6655 54.4339 18.6309 178.3791 5 F 5.1718 7.7766 113.9538 57.6147 38.8526 177.9426 6 S 4.1806 7.9384 117.4691 61.8283 62.7334 176.5736 7 R 4.0483 7.9511 121.0667 58.2580 29.9452 178.8914 8 V 3.5041 7.7751 117.9648 66.1712 31.4096 178.1462 9 V 3.6833 7.6319 109.9188 63.0024 31.5528 177.5146 10 T 4.3312 7.2880 106.9340 60.2705 69.3951 174.0392 11 N 4.0929 7.8182 117.2521 54.5754 36.7869 175.2879 12 A 4.2195 8.1229 121.7099 54.2058 19.2558 177.5415 13 D 4.6943 7.5834 112.7636 52.9162 42.3272 174.8384 14 S 4.6454 8.3562 112.2690 58.1771 62.9694 174.6464 15 K 4.1119 8.0269 120.7380 55.5623 32.3869 177.1310 16 A 3.9014 8.3929 125.9874 52.0577 18.9560 176.5239 17 A 4.5790 8.0738 123.4470 50.2784 21.7089 175.4675 18 Y 4.9242 8.3720 118.4278 56.1598 40.8202 175.5417 19 V 4.2318 8.7983 123.9799 61.0319 32.9838 174.0370 20 G 4.2533 7.9582 115.5467 43.9384 0.0000 171.9264 21 G 3.5996 8.4428 107.3230 46.4760 0.0000 176.6716 22 A 3.9923 8.5230 122.2107 55.0116 18.1525 179.1822 23 D 4.2787 8.0266 117.2884 57.4000 40.9492 178.5384 24 L 3.9391 7.9665 120.9404 57.9494 41.9056 178.5224 25 Q 3.9606 8.2867 119.5134 59.4265 28.9614 178.5820 26 A 4.1094 8.1251 121.5500 54.8879 18.3742 179.1993 27 L 3.9632 8.1887 119.1952 58.4362 41.9480 179.3069 28 K 4.1411 8.1179 116.5178 58.3215 32.1154 178.5429 29 K 4.3349 7.4359 116.0017 57.3275 32.4955 178.2867 30 F 4.3868 8.1467 121.3590 60.0124 39.6417 175.5629 31 I 4.0316 7.3436 110.6549 59.8359 38.7032 175.1871 32 S 4.5170 8.2325 115.7587 57.6755 64.8262 173.0103 33 E 3.7995 8.7500 117.0726 57.2591 27.1826 177.5775 34 G 3.6168 8.1932 106.1521 48.1290 0.0000 174.8087 35 N 4.3684 8.0699 119.0516 55.8873 38.6331 177.5523 36 K 3.9561 8.0401 119.3589 59.3480 32.1387 179.1393 37 R 3.8953 8.5893 119.2839 59.5990 29.9722 178.6736 38 L 4.0385 8.1104 118.7037 57.7767 41.5664 179.1642 39 D 4.3684 8.3915 119.1378 57.4469 40.6434 179.0793 40 S 4.1523 8.2872 115.8083 61.5522 62.7878 176.7821 41 V 3.5811 7.9108 120.9494 66.0520 31.2614 177.4364 42 N 4.2540 8.3751 117.0812 56.8497 38.5780 176.9964 43 S 4.0562 8.0232 114.2299 60.9850 63.3377 176.3579 44 I 3.8089 7.4848 123.3073 64.3673 37.2208 178.7356 45 V 3.6903 8.0074 113.3588 64.2430 31.1483 178.5862 46 S 4.3333 8.0447 113.5844 60.0727 62.7694 174.5739 47 N 4.8332 7.4805 118.9501 52.7593 39.1715 176.6175 48 A 3.9898 8.0050 123.4258 55.4425 18.3272 180.6220 49 S 4.0712 8.0212 113.1551 62.0406 62.8935 176.4654 50 C 4.1677 8.0209 120.7723 62.2580 31.4148 175.4076 51 I 3.7723 8.0136 121.6507 64.4384 36.6924 178.5942 52 V 3.6410 7.9697 118.9781 66.2375 31.3253 178.2906 53 S 4.1282 8.2882 115.0316 61.5926 62.5579 176.2189 54 D 4.3083 8.6255 121.0686 57.0933 40.8650 178.1933 55 A 3.9603 8.1712 121.4898 55.1104 18.3447 179.8634 56 V 3.5468 8.0607 116.9762 66.2825 31.5670 178.5441 57 S 4.2382 8.5551 115.4639 61.3331 62.5947 176.9830 58 G 3.5415 8.3934 108.9341 47.7941 0.0000 175.2605 59 M 4.0016 8.3090 121.1230 58.7532 31.6485 178.5181 60 I 3.8053 8.0231 120.0805 64.3879 37.0873 178.2178 61 C 4.2646 8.2715 114.7333 61.1528 29.5277 175.5018 62 E 4.2956 8.0957 120.5978 57.7669 30.3823 176.6044 63 N 4.9273 7.8680 116.6220 50.7020 39.3855 172.5284 64 P 4.5464 0.0000 0.0000 63.9866 32.3336 178.8450 65 S 4.2352 8.2330 112.5748 60.6754 62.6910 176.2539 66 L 4.0606 8.0594 121.8130 56.9262 41.4324 178.3654 67 I 4.6741 7.6064 110.0009 60.2100 37.9517 175.6097 68 S 4.3284 7.7501 116.3643 57.7761 63.3031 173.4263 69 P 2.0000 0.0000 0.0000 63.8810 30.9327 177.5137 70 S 4.6381 7.3058 110.0190 57.8694 64.6400 174.8144 71 G 4.3796 7.3967 115.3790 45.3064 0.0000 175.7933 *73 C 4.3931 8.6458 123.2594 58.8234 29.6103 172.9886 74 Y 4.1548 7.7908 122.0912 58.6519 39.1329 175.7172 75 T 3.3535 7.6179 113.1289 61.9695 69.0447 172.4455 76 N 4.2587 8.4171 119.7248 56.3786 38.4863 177.6462 77 R 3.8507 7.8356 119.6160 59.6419 30.2347 178.7395 78 R 3.9638 7.7692 117.5270 59.2579 29.9737 178.6491 79 M 3.9800 8.2144 117.8952 58.6478 32.1691 178.1152 80 A 3.9628 8.3281 120.9424 55.1707 18.4504 179.5009 81 A 3.9633 8.1109 119.3274 55.2530 18.3313 179.5259 82 C 4.0521 8.3358 117.3709 62.6193 31.7192 175.6361 83 L 3.9773 8.1683 120.9160 57.8131 41.1579 179.4859 84 R 3.9057 8.3376 118.7908 59.6780 29.9755 178.2117 85 D 4.5701 8.5604 119.0955 57.3515 40.7334 178.9986 86 G 3.7217 8.4219 106.4194 47.9254 0.0000 175.3279 87 E 3.9829 8.3861 121.9280 58.8733 29.6186 178.7667 88 I 3.7509 8.2051 120.3033 64.6189 37.1601 178.4312 89 I 3.8097 8.1658 120.7161 64.3800 36.9091 178.1470 90 L 4.0265 8.3203 121.4247 58.4488 41.8753 179.3546 91 R 4.0192 8.3320 119.6036 58.7834 29.9944 178.5984 92 Y 3.9819 8.2187 116.7670 60.9212 37.8350 178.6952 93 V 3.4476 8.1332 119.7795 65.9213 31.0639 178.2702 94 S 4.1480 8.3728 114.4489 61.5570 62.6847 175.9026 95 Y 3.8176 8.1173 123.0081 60.1362 38.5137 177.3833 96 A 4.2873 8.0096 123.2732 54.4443 18.0849 179.4143 97 L 4.0988 7.6347 117.8765 57.9745 42.2441 178.5103 98 L 4.0272 7.7958 120.0187 58.0113 42.1536 178.6205 99 S 4.4238 7.7729 111.5762 57.9381 63.4605 174.4681 100 G 4.0052 8.2948 110.2410 45.6269 0.0000 172.8862 101 D 4.6589 7.5595 117.0433 51.5956 44.3151 175.1823 102 A 4.1866 8.6410 126.1926 52.6165 18.9142 179.5380 103 S 4.0667 8.6437 115.7973 61.6661 62.8879 176.8771 104 V 3.5879 7.8138 120.3921 65.6684 31.3413 177.4644 105 L 3.8610 7.9675 119.6703 58.3605 42.0151 178.7329 106 E 3.9071 8.4568 118.6832 59.4392 29.1653 178.9850 107 D 4.3860 8.1241 117.6898 56.1474 41.3306 178.1309 108 R 4.3629 7.9723 115.7785 55.8424 31.2361 175.9532 109 C 4.1546 7.3382 116.4115 60.4122 33.5297 174.5534 110 L 4.0999 7.5502 118.8043 56.3100 41.8456 176.0937 111 N 4.4147 7.7122 117.4777 55.5575 38.8360 174.9506 112 G 3.9250 8.8436 115.2117 45.4268 0.0000 174.3443 113 L 3.6148 7.9571 121.8683 57.9587 42.0625 178.6267 114 K 3.9830 7.9364 119.0885 59.6013 32.1599 178.3962 115 E 4.0246 8.0594 118.3901 59.5354 29.4288 179.1975 116 T 3.8256 7.6362 115.3069 67.0359 68.5660 176.3327 117 Y 4.4991 7.9265 118.5761 61.1549 37.5685 178.7856 118 S 4.1888 8.7210 116.7203 61.7031 62.7267 176.6697 119 S 4.2018 8.0329 114.7180 61.1686 62.2234 175.6450 120 L 4.3573 7.9587 120.2391 54.8765 41.6783 177.3423 121 G 3.7637 7.7333 105.1407 46.1456 0.0000 173.5261 122 V 3.7606 7.7272 120.4825 60.8017 31.8195 174.4196 123 P 4.3390 0.0000 0.0000 62.7742 32.1193 177.0456 124 A 3.9851 8.6363 125.6491 54.6249 18.5653 178.9605 125 N 4.2781 8.0590 115.4676 56.3809 37.4819 177.6241 126 S 4.1059 7.9391 117.2886 61.0555 62.9862 175.8969 127 N 4.1922 8.3240 119.6713 56.6839 38.6187 176.7014 128 A 4.0185 8.3498 122.5001 55.2071 18.3672 179.6397 129 R 3.8897 8.1614 117.9299 58.7069 30.1556 178.4496 130 A 3.9695 8.1668 120.8348 55.3110 18.3404 179.8207 131 V 3.6767 8.0200 116.9500 66.1577 31.0874 178.4350 132 S 4.1205 8.3388 114.2057 61.3508 62.7742 176.6064 133 I 3.6854 7.9739 123.6099 64.3791 36.7648 178.2048 134 M 3.9791 8.0593 119.5642 58.0798 31.6852 178.5705 135 K 2.4800 7.6999 119.7944 59.0318 32.2742 178.5879 136 A 3.8724 7.7733 120.7766 55.2376 18.2539 179.3465 137 C 3.9134 8.2199 115.0967 62.9626 28.2886 176.2257 138 A 4.2581 8.1571 122.4255 55.3181 17.9254 179.8579 139 V 3.5917 8.1032 116.7567 66.0986 31.3522 178.1773 140 A 3.9114 7.7342 119.7284 54.9739 18.2165 179.3556 141 F 4.3562 7.9745 115.8270 60.4540 39.0334 177.9796 142 V 3.8604 7.8805 117.1027 65.1215 32.9181 176.7133 143 N 4.5762 8.0073 118.6180 51.8014 37.1077 172.3136 144 N 4.7249 7.9458 117.4234 52.1823 39.8979 174.0574 145 T 4.4176 8.3102 115.5370 61.3315 69.2167 174.5509 146 A 4.2446 7.7442 125.0970 52.0308 19.2730 177.9712 147 S 4.3815 8.2556 113.8684 57.8494 64.0863 175.0035 148 Q 3.9114 8.8446 122.0690 59.3290 28.6883 179.0010 149 K 3.9737 8.0850 117.0949 58.8589 32.2634 177.1310 150 K 4.3454 8.1672 116.1634 56.4388 32.6322 176.3792 151 L 4.6683 7.4284 119.6360 53.2216 42.9747 176.9116 152 S 4.4257 8.5973 115.6905 59.3497 63.7074 173.8058 153 T 4.7191 7.3547 110.2012 58.6565 71.4980 171.8315 154 P 4.4371 0.0000 0.0000 62.4774 31.8141 176.6819 155 Q 4.0654 9.1827 122.1595 56.2508 29.0348 175.9889 156 G 3.7872 7.8835 107.7842 45.8911 0.0000 171.5639 157 D 4.6690 8.7334 119.4717 53.5642 41.1301 176.0033 158 C 4.7985 8.3635 124.7725 59.6502 29.1417 175.9373 159 S 4.2749 8.6261 120.2242 61.3899 62.2775 176.3896 160 G 3.5917 8.0340 108.8020 47.8911 0.0000 175.5959 161 L 4.0243 7.9454 121.3787 57.0617 41.5692 179.3848 162 A 4.0653 8.0459 120.9941 55.2588 18.3332 179.8602 163 S 4.0416 8.2728 113.8042 61.5431 62.5323 176.5358 164 E 3.6962 8.2495 122.3434 59.2359 29.4159 179.3513 165 V 3.9441 8.3035 119.7798 64.5922 31.4554 178.3667 166 G 3.9208 8.4932 106.8121 47.9021 0.0000 175.8823 167 G 3.5682 8.1213 108.0880 47.5583 0.0000 175.4715 168 Y 4.3960 7.4169 118.5786 61.0811 37.7937 178.4849 169 F 4.2483 8.3864 118.8039 60.7077 38.9052 177.4783 170 D 4.4517 8.4640 118.6122 57.2090 40.6393 178.9379 171 K 4.0257 8.1356 119.3083 59.1954 31.9875 179.5560 172 V 3.6111 7.6591 118.3765 66.3621 31.6471 178.1076 173 T 3.9082 8.2458 115.3882 66.8317 68.1107 176.4753 174 A 4.0539 8.1922 121.3260 55.0055 18.4242 179.2457 175 A 4.1384 7.8563 118.8526 54.3108 18.6424 178.8621 176 I 4.3392 7.5840 108.6978 61.1978 38.6382 176.0309 177 S 4.3267 7.9261 121.7199 58.9985 62.6861 173.8000 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 1 M 8.30 4.48 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 L 8.35 4.14 0.00 2.02 1.51 1.05 0.98 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 3 D 8.74 4.28 0.00 2.54 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.64 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.78 5.17 0.00 3.21 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 6 S 7.94 4.18 0.00 4.09 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 7 R 7.95 4.05 0.00 1.87 2.00 0.00 3.12 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 8 V 7.78 3.50 2.20 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 0.84 0.00 0.00 0.90 0.00 0.00 9 V 7.63 3.68 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 0.30 0.00 0.00 1.02 0.00 0.00 10 T 7.29 4.33 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 11 N 7.82 4.09 0.00 2.87 2.89 0.00 0.00 6.86 7.36 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 12 A 8.12 4.22 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 13 D 7.58 4.69 0.00 2.70 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 14 S 8.36 4.65 0.00 3.85 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 15 K 8.03 4.11 0.00 1.82 1.68 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.36 7.81 16 A 8.39 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.07 4.58 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 18 Y 8.37 4.92 0.00 2.99 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 19 V 8.80 4.23 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 0.77 0.00 0.00 0.64 0.00 0.00 20 G 7.96 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 0.00 0.00 0.00 0.00 21 G 8.44 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 22 A 8.52 3.99 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 23 D 8.03 4.28 0.00 2.92 2.67 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 24 L 7.97 3.94 0.00 1.96 1.85 0.96 0.45 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 25 Q 8.29 3.96 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 26 A 8.13 4.11 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 27 L 8.19 3.96 0.00 1.81 1.89 0.99 1.09 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 28 K 8.12 4.14 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.64 7.81 29 K 7.44 4.33 0.00 1.82 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 F 8.15 4.39 0.00 3.05 3.26 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 31 I 7.34 4.03 1.87 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 1.58 0.75 1.07 0.00 0.00 32 S 8.23 4.52 0.00 3.98 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 33 E 8.75 3.80 0.00 2.19 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 2.31 2.28 0.00 34 G 8.19 3.62 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 0.00 0.00 0.00 35 N 8.07 4.37 0.00 2.76 2.89 0.00 0.00 7.04 8.02 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 36 K 8.04 3.96 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 37 R 8.59 3.90 0.00 1.95 2.12 0.00 3.11 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 38 L 8.11 4.04 0.00 1.76 1.72 0.96 0.99 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 39 D 8.39 4.37 0.00 2.87 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 40 S 8.29 4.15 0.00 4.03 3.97 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 41 V 7.91 3.58 2.20 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 1.06 0.00 0.00 0.97 0.00 0.00 42 N 8.38 4.25 0.00 3.04 2.93 0.00 0.00 7.02 7.76 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 43 S 8.02 4.06 0.00 4.07 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 44 I 7.48 3.81 2.01 0.00 0.00 1.00 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 0.99 1.01 0.00 0.00 45 V 8.01 3.69 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 0.87 0.00 0.00 0.91 0.00 0.00 46 S 8.04 4.33 0.00 3.79 3.85 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 0.00 0.00 0.00 47 N 7.48 4.83 0.00 2.22 2.50 0.00 0.00 6.72 7.12 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 48 A 8.01 3.99 1.35 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 49 S 8.02 4.07 0.00 3.88 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 50 C 8.02 4.17 0.00 3.02 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 51 I 8.01 3.77 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.98 1.01 0.00 0.00 52 V 7.97 3.64 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 1.17 0.00 0.00 1.01 0.00 0.00 53 S 8.29 4.13 0.00 3.97 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 54 D 8.63 4.31 0.00 2.92 2.68 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 *73 C 8.65 4.39 0.00 3.20 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 74 Y 7.79 4.15 0.00 3.08 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 75 T 7.62 3.35 4.07 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 0.93 0.00 0.00 76 N 8.42 4.26 0.00 2.70 2.88 0.00 0.00 6.56 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 77 R 7.84 3.85 0.00 1.85 1.90 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 78 R 7.77 3.96 0.00 2.02 1.98 0.00 3.39 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 79 M 8.21 3.98 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 80 A 8.33 3.96 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 81 A 8.11 3.96 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 82 C 8.34 4.05 0.00 3.00 3.09 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 83 L 8.17 3.98 0.00 1.87 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.34 3.91 0.00 1.93 2.17 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 D 8.56 4.57 0.00 3.01 2.86 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 86 G 8.42 3.72 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 0.00 87 E 8.39 3.98 0.00 2.09 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 0.00 2.31 2.36 0.00 88 I 8.21 3.75 2.10 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 1.58 0.60 1.14 0.00 0.00 89 I 8.17 3.81 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 1.03 0.00 0.00 90 L 8.32 4.03 0.00 1.98 1.90 1.20 1.34 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 91 R 8.33 4.02 0.00 1.93 1.79 0.00 3.11 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 92 Y 8.22 3.98 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.13 3.45 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 0.39 0.00 0.00 0.52 0.00 0.00 94 S 8.37 4.15 0.00 4.05 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 95 Y 8.12 3.82 0.00 2.99 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 96 A 8.01 4.29 0.51 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 97 L 7.63 4.10 0.00 1.77 1.87 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0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.46 3.91 0.00 2.15 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 2.33 2.52 0.00 107 D 8.12 4.39 0.00 2.65 2.68 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 0.00 108 R 7.97 4.36 0.00 1.67 1.89 0.00 3.27 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 109 C 7.34 4.15 0.00 1.31 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 0.00 110 L 7.55 4.10 0.00 1.84 1.64 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.71 4.41 0.00 2.80 2.81 0.00 0.00 7.42 7.90 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 0.00 112 G 8.84 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 0.00 0.00 0.00 113 L 7.96 3.61 0.00 1.80 1.63 0.28 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 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7.73 3.76 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 0.39 0.00 0.00 0.98 0.00 0.00 123 P 0.00 4.34 0.00 2.37 2.16 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 124 A 8.64 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.06 4.28 0.00 2.92 3.09 0.00 0.00 6.30 7.14 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 0.00 126 S 7.94 4.11 0.00 3.97 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 0.00 127 N 8.32 4.19 0.00 2.86 2.75 0.00 0.00 7.11 7.25 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 0.00 128 A 8.35 4.02 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 0.00 129 R 8.16 3.89 0.00 1.96 2.05 0.00 3.19 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 130 A 8.17 3.97 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 0.00 131 V 8.02 3.68 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 1.32 0.00 0.00 1.10 0.00 0.00 132 S 8.34 4.12 0.00 4.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.97 3.69 1.85 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 1.49 0.73 0.89 0.00 0.00 134 M 8.06 3.98 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.61 0.00 135 K 7.70 2.48 0.00 1.19 1.68 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.27 1.33 7.81 136 A 7.77 3.87 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 0.00 137 C 8.22 3.91 0.00 3.21 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 0.00 138 A 8.16 4.26 1.60 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 0.00 139 V 8.10 3.59 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 1.07 0.00 0.00 0.98 0.00 0.00 140 A 7.73 3.91 1.15 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 0.00 0.00 141 F 7.97 4.36 0.00 3.26 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 0.00 142 V 7.88 3.86 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 0.91 0.00 0.00 1.11 0.00 0.00 143 N 8.01 4.58 0.00 2.70 2.85 0.00 0.00 7.20 8.65 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 0.00 144 N 7.95 4.72 0.00 3.03 2.76 0.00 0.00 7.23 7.70 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 0.00 145 T 8.31 4.42 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 0.00 146 A 7.74 4.24 1.27 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 0.00 0.00 147 S 8.26 4.38 0.00 4.02 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 0.00 148 Q 8.84 3.91 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 149 K 8.08 3.97 0.00 1.74 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.54 7.81 150 K 8.17 4.35 0.00 1.89 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.40 7.81 151 L 7.43 4.67 0.00 1.76 1.61 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.60 4.43 0.00 3.99 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 0.00 153 T 7.35 4.72 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 1.33 0.00 0.00 154 P 0.00 4.44 0.00 2.07 2.05 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 155 Q 9.18 4.07 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 156 G 7.88 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 0.00 157 D 8.73 4.67 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.80 0.00 3.16 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 0.00 159 S 8.63 4.27 0.00 4.04 4.16 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 0.00 160 G 8.03 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 0.00 161 L 7.95 4.02 0.00 1.73 1.77 0.96 1.02 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 0.00 162 A 8.05 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.27 4.04 0.00 4.02 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 0.00 164 E 8.25 3.70 0.00 1.95 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 1.93 2.03 0.00 165 V 8.30 3.94 2.22 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 0.99 0.00 0.00 1.16 0.00 0.00 166 G 8.49 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 0.00 0.00 0.00 167 G 8.12 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 0.00 0.00 0.00 168 Y 7.42 4.40 0.00 3.03 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 0.00 169 F 8.39 4.25 0.00 3.31 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 0.00 170 D 8.46 4.45 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 0.00 171 K 8.14 4.03 0.00 2.09 1.91 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.69 7.81 172 V 7.66 3.61 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.99 0.00 0.00 173 T 8.25 3.91 4.48 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 1.25 0.00 0.00 174 A 8.19 4.05 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 0.00 175 A 7.86 4.14 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 0.00 176 I 7.58 4.34 2.07 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 1.84 0.80 1.05 0.00 0.00 177 S 7.93 4.33 0.00 4.01 3.84 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 * Residues marked with a * may have inaccurate shift predictions.