NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0944 8.2649 123.5795 51.8963 20.6349 176.1580 *2 L 3.9327 7.5386 114.4616 54.3848 42.9822 175.1359 *4 N 4.5458 8.0348 116.6356 52.7469 39.3993 174.5540 5 E 3.9133 8.5044 119.3311 59.4047 29.5660 178.2422 6 F 4.2203 8.2848 120.1824 61.4728 39.5164 176.8402 7 E 3.6868 8.8492 118.4576 59.1850 29.1820 179.5317 8 K 3.9132 8.0305 118.4444 59.1920 32.0131 179.3394 9 A 3.8422 8.0364 121.4209 55.2963 18.2507 179.5203 10 C 3.8598 7.7173 115.2683 62.7234 28.0818 175.9893 11 E 3.8083 8.0042 121.0365 59.4658 29.1023 179.0364 12 T 3.8166 7.8586 115.9716 66.2357 68.1977 176.4988 13 L 3.6953 7.7698 122.0303 57.9518 42.1712 178.6043 14 R 3.8781 7.6878 117.5092 59.5023 30.3196 178.3823 15 K 3.8180 8.0424 118.1843 58.9737 31.7132 179.0146 16 F 4.1537 8.0510 116.5190 59.6234 39.4240 175.3399 *18 A 4.4616 7.8271 120.9347 52.5767 20.2327 180.9088 19 Y 4.8288 8.0045 114.4573 58.0764 37.0460 178.4640 *21 L 4.3107 7.9883 121.3319 54.9802 43.6283 178.0788 22 E 4.1922 8.3317 115.2933 56.3294 29.6040 176.9971 23 K 3.8707 8.0139 116.5451 57.1682 30.1131 174.6225 24 D 4.6736 7.8950 118.2645 53.2411 42.5584 177.2384 *26 K 4.3446 8.4632 122.8678 56.7620 33.9920 178.7019 27 S 3.8872 8.1550 113.5503 60.8124 62.7749 176.1642 28 W 4.3671 7.9280 130.9315 60.9588 30.4582 178.2616 29 T 4.1345 8.3014 115.1613 66.5857 67.7711 176.2497 30 E 4.0766 7.7326 119.7006 58.7749 29.6357 178.1606 31 L 4.1068 7.9161 118.1084 55.9518 42.0865 176.6707 32 W 4.8470 7.9394 118.8037 54.8191 30.7046 175.8248 33 D 4.5448 8.9115 121.9044 53.7830 41.5962 176.7143 34 E 3.9990 8.9636 125.2977 59.0120 29.5786 178.0013 35 N 5.1235 8.5906 114.3462 52.6593 39.2710 174.6639 36 A 4.5896 8.1182 120.2847 52.3249 20.0873 177.3994 37 V 4.7871 8.7885 119.3343 61.0409 34.4960 174.1493 38 F 5.6536 9.4120 130.4985 56.6996 41.6953 173.6803 39 E 4.7106 9.4787 125.7687 54.5620 33.1149 175.2936 40 F 4.6842 8.4181 121.4602 54.3156 39.7452 173.5772 41 P 4.0058 0.0000 0.0000 65.0152 31.3403 177.1001 42 Y 4.8933 7.0158 112.3577 57.4413 38.2809 175.3732 43 A 4.4160 7.7142 124.1396 51.6895 19.0195 176.9985 44 P 4.5404 0.0000 0.0000 61.1246 32.8814 174.9984 45 E 4.1041 8.2809 119.3750 57.7945 29.7564 176.2928 46 G 4.0107 9.0639 113.8552 45.1113 0.0000 173.4655 47 S 4.7960 7.2462 114.9835 55.6191 64.8459 172.3992 48 P 4.4811 0.0000 0.0000 63.1086 31.7606 176.1794 49 K 4.7125 8.5050 117.9336 56.7687 34.7016 175.7875 50 R 4.9425 7.7834 119.0679 55.2363 33.1456 173.9633 51 I 4.7852 9.1369 126.9707 59.5508 41.0214 174.2027 52 E 5.0651 9.0660 124.8973 55.7341 32.9150 175.8741 53 G 3.9847 9.3400 112.1243 46.0080 0.0000 174.0069 54 K 3.7692 8.9468 124.2806 59.5797 32.0912 178.8046 55 A 4.0501 8.1343 119.9585 55.4319 18.2966 179.3674 56 A 4.0436 8.0305 118.6020 55.3119 18.5150 179.7950 57 I 3.8187 7.9392 118.4974 64.6267 37.1487 178.0123 58 Y 4.1737 8.6193 120.8486 60.7235 38.4382 177.4023 59 D 4.2270 8.1703 117.8724 57.5956 41.3630 177.4368 60 Y 4.0778 8.0507 118.7471 60.5858 39.1701 177.2417 61 I 3.7829 8.0517 119.1066 62.2946 37.9529 177.3736 62 K 3.4435 7.6982 119.2065 59.9212 32.1718 177.3225 63 D 4.4700 7.6593 116.5167 54.3684 41.5936 177.1773 64 Y 3.7566 8.1699 122.0530 60.5596 38.4266 176.6442 65 P 4.5497 0.0000 0.0000 64.2434 31.5271 177.8730 66 K 4.0798 7.7338 117.4368 58.0361 32.4327 176.9014 67 Q 4.3855 7.6038 116.9024 56.4918 31.4867 175.5837 68 I 4.4615 7.6814 119.8866 59.3608 40.5580 174.3083 69 H 4.6396 9.0275 127.4734 54.5814 31.3233 173.3127 70 L 4.7813 8.2653 126.6334 53.7155 42.0319 176.6901 71 S 4.6415 8.9913 119.7643 60.0106 64.6025 174.0728 72 S 4.6206 7.2620 112.6422 57.7440 65.6538 174.3768 73 F 5.7145 8.6884 118.2346 55.9086 42.5655 175.1620 74 T 4.5333 9.1269 112.5625 60.7329 70.1513 174.2232 75 A 4.1680 8.4970 125.0689 51.5217 18.9601 175.6853 76 P 4.9936 0.0000 0.0000 62.7703 33.3702 175.3920 77 T 4.5576 8.8963 116.9618 61.8918 70.8367 173.8863 78 V 4.9844 8.2599 119.2594 59.6476 34.9401 174.6764 79 Y 4.6675 9.3077 121.4275 56.1959 41.0456 174.5680 80 R 4.5609 8.5217 125.1234 54.8958 31.0109 175.7065 81 S 4.2407 8.6817 122.5806 58.3269 62.2575 174.2001 82 A 4.0783 8.8144 130.3076 54.4523 18.4963 177.5249 83 D 4.8522 7.9854 112.6223 54.1014 41.7527 175.7903 84 S 4.6312 7.4474 111.6000 56.7366 66.5506 174.2334 85 N 4.7049 8.3756 120.7947 52.6556 37.3646 174.1044 86 T 4.9944 7.2831 116.5712 61.7966 74.1973 174.0593 87 V 4.9810 8.8280 123.9015 61.2537 35.3181 174.0600 88 I 5.0886 9.0297 127.9903 59.5233 39.9336 174.4113 89 A 5.3856 9.2362 128.1196 50.2526 22.3954 174.4151 90 E 5.3634 9.3285 122.1866 54.7265 32.6516 175.2426 91 F 5.3094 8.3844 117.0303 56.5715 41.8104 172.6579 92 Q 5.5229 9.5214 118.0268 54.4690 33.1868 174.0471 93 C 5.5872 9.1376 115.2175 56.6436 33.7188 172.0104 94 D 4.8264 9.7229 117.7223 51.9633 44.6773 175.9412 95 G 3.8701 6.9659 109.0362 46.6874 0.0000 170.9314 96 H 5.1934 8.1070 115.5241 54.4631 31.7446 172.7280 97 V 3.8125 8.4272 121.2592 61.7767 32.0529 177.0767 98 I 3.6601 8.3840 129.2878 64.6036 37.2344 177.4582 99 E 4.0335 8.0453 118.3570 59.2450 29.3536 178.1550 100 T 4.0458 7.6182 106.4869 61.3359 69.6871 175.8999 101 G 3.8498 8.2915 109.4058 45.3745 0.0000 173.5553 102 L 4.3820 7.4083 120.0649 53.3201 42.8862 174.9779 103 P 4.7544 0.0000 0.0000 63.5299 32.1278 175.5692 104 Y 4.5772 9.2069 122.9600 56.0829 40.7243 173.3573 105 R 4.8670 8.2370 124.5663 53.2924 31.1991 174.7687 106 Q 4.1690 7.8340 124.6975 54.5406 31.4850 173.8959 107 S 5.0434 8.2222 119.7701 56.9878 65.4802 173.0010 108 Y 5.0737 9.0996 122.6849 56.2421 41.3003 174.9584 109 I 4.8851 8.6382 121.8649 59.8240 41.3854 173.8788 110 S 5.2767 9.4140 126.0261 56.6704 66.3633 173.3952 111 V 4.5795 8.3676 123.4585 61.2817 33.5890 174.2410 112 I 4.7538 8.7906 129.2262 59.3554 40.4385 174.4017 113 E 5.0999 9.2019 126.5837 54.6961 32.0376 175.2698 114 T 5.0868 8.4382 113.3558 59.8746 72.6618 173.6667 115 R 4.2696 8.4990 122.2034 55.5396 32.0568 174.4217 116 D 4.4538 10.1684 126.1636 55.2913 40.0665 174.8349 117 G 3.9711 8.6777 107.2440 45.0631 0.0000 175.1333 118 R 4.0907 7.6550 119.9800 55.7820 30.7633 175.6917 119 I 3.9499 8.3219 124.4077 61.5208 37.3528 176.6048 120 V 4.2311 8.8475 127.8724 63.6734 33.7603 175.4977 121 R 5.2275 7.5545 119.8509 55.1667 33.9236 173.1608 122 Y 4.8341 9.4295 127.0373 56.1345 42.3317 173.6487 123 R 4.6909 8.9408 129.0862 55.0419 31.7260 174.5511 124 D 5.3968 8.9890 128.7892 53.2348 41.2660 174.2512 125 Y 4.0573 8.6894 123.4778 56.5215 39.3281 174.6833 126 W 5.7108 7.9836 119.7594 54.9653 32.1120 174.1092 127 N 4.9189 9.4844 120.0653 52.3341 38.1781 174.1140 128 P 4.8480 0.0000 0.0000 65.6940 31.4840 178.0956 129 L 4.1783 8.6341 120.9783 58.0572 41.9778 178.9578 130 V 3.6463 7.9337 118.5967 65.7254 31.4204 178.3338 131 V 3.6925 7.7134 117.6633 65.7997 31.4815 177.6118 132 K 4.3634 8.5473 121.1650 59.0858 32.0548 178.2695 133 E 3.9761 8.4928 119.2688 59.3506 29.3763 178.6743 134 A 4.0785 8.0026 119.6247 54.4619 18.6990 178.5227 135 F 4.3064 8.3040 115.2524 56.3390 38.9112 176.3371 136 G 3.8262 8.9558 106.2752 47.0113 0.0000 175.2384 137 G 4.1322 8.8204 109.7459 45.1170 0.0000 175.4693 138 S 4.6404 7.8009 117.6850 58.2469 63.2580 171.9510 139 F 3.8027 7.9359 119.5311 56.4983 41.9800 174.1053 140 L 2.8781 6.2591 125.6262 54.7997 42.0131 175.9139 141 Q 4.5945 8.6741 125.7270 54.2183 30.8133 175.8272 142 T 3.9821 8.1123 111.3443 61.7831 68.9172 173.5833 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 0 A 8.26 4.09 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 *2 L 7.54 3.93 0.00 1.67 1.68 0.92 1.00 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 *4 N 8.03 4.55 0.00 3.05 3.05 0.00 0.00 5.57 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 5 E 8.50 3.91 0.00 2.11 2.02 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 2.56 2.43 0.00 6 F 8.28 4.22 0.00 3.10 3.22 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 7 E 8.85 3.69 0.00 2.14 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 2.31 2.63 0.00 8 K 8.03 3.91 0.00 1.91 1.78 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.65 7.81 9 A 8.04 3.84 1.22 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 10 C 7.72 3.86 0.00 2.54 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 11 E 8.00 3.81 0.00 1.98 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 2.31 0.00 12 T 7.86 3.82 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 1.05 0.00 0.00 13 L 7.77 3.70 0.00 1.45 1.69 0.51 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.69 3.88 0.00 1.71 1.99 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 15 K 8.04 3.82 0.00 1.92 1.56 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.56 7.81 16 F 8.05 4.15 0.00 2.96 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 *18 A 7.83 4.46 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 19 Y 8.00 4.83 0.00 3.26 3.24 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 0.00 *21 L 7.99 4.31 0.00 1.90 1.82 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.33 4.19 0.00 2.29 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 2.42 2.45 0.00 23 K 8.01 3.87 0.00 1.93 1.90 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.58 7.81 24 D 7.90 4.67 0.00 2.79 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 *26 K 8.46 4.34 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.58 7.81 27 S 8.16 3.89 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 4.37 0.00 3.53 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 29 T 8.30 4.13 4.53 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 1.29 0.00 0.00 30 E 7.73 4.08 0.00 2.04 2.01 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 2.44 2.46 0.00 31 L 7.92 4.11 0.00 1.50 1.44 0.96 1.09 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 32 W 7.94 4.85 0.00 3.25 3.10 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 33 D 8.91 4.54 0.00 2.73 2.66 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 34 E 8.96 4.00 0.00 2.10 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 2.40 2.45 0.00 35 N 8.59 5.12 0.00 2.84 2.81 0.00 0.00 7.00 7.18 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 36 A 8.12 4.59 1.66 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 37 V 8.79 4.79 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 1.06 0.00 0.00 0.98 0.00 0.00 38 F 9.41 5.65 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 9.48 4.71 0.00 1.69 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 2.12 2.20 0.00 40 F 8.42 4.68 0.00 2.80 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 41 P 0.00 4.01 0.00 0.83 1.64 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 42 Y 7.02 4.89 0.00 2.77 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 43 A 7.71 4.42 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 44 P 0.00 4.54 0.00 1.97 2.05 0.00 3.43 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.00 45 E 8.28 4.10 0.00 1.89 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 2.27 2.34 0.00 46 G 9.06 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 0.00 0.00 0.00 47 S 7.25 4.80 0.00 3.92 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 48 P 0.00 4.48 0.00 2.23 2.12 0.00 3.77 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 1.79 2.13 0.00 49 K 8.51 4.71 0.00 1.73 1.87 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 50 R 7.78 4.94 0.00 1.76 1.76 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 51 I 9.14 4.79 1.96 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 1.29 0.75 1.00 0.00 0.00 52 E 9.07 5.07 0.00 1.84 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 2.24 2.31 0.00 53 G 9.34 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.95 3.77 0.00 1.89 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.51 7.81 55 A 8.13 4.05 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 56 A 8.03 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 57 I 7.94 3.82 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.26 0.00 0.00 58 Y 8.62 4.17 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.17 4.23 0.00 2.89 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 60 Y 8.05 4.08 0.00 3.07 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 61 I 8.05 3.78 2.01 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.43 0.73 0.00 0.00 62 K 7.70 3.44 0.00 1.40 0.83 0.00 1.48 0.00 0.00 1.37 0.00 0.00 3.29 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.20 7.81 63 D 7.66 4.47 0.00 2.55 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 64 Y 8.17 3.76 0.00 2.85 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 65 P 0.00 4.55 0.00 2.04 2.11 0.00 3.80 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 66 K 7.73 4.08 0.00 1.70 1.92 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 67 Q 7.60 4.39 0.00 1.77 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 68 I 7.68 4.46 0.89 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.77 0.63 0.00 0.00 69 H 9.03 4.64 0.00 2.95 2.80 0.00 5.57 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.27 4.78 0.00 1.47 1.31 1.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.99 4.64 0.00 3.87 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 72 S 7.26 4.62 0.00 3.90 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 73 F 8.69 5.71 0.00 2.99 2.95 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 74 T 9.13 4.53 4.37 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 1.35 0.00 0.00 75 A 8.50 4.17 1.29 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 0.00 0.00 76 P 0.00 4.99 0.00 2.09 1.93 0.00 3.67 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 1.91 1.83 0.00 77 T 8.90 4.56 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 0.88 0.00 0.00 78 V 8.26 4.98 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 0.68 0.00 0.00 1.02 0.00 0.00 79 Y 9.31 4.67 0.00 2.78 2.82 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 0.00 0.00 0.00 0.00 80 R 8.52 4.56 0.00 0.88 1.40 0.00 2.21 0.00 0.00 2.59 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.15 0.00 81 S 8.68 4.24 0.00 3.92 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 82 A 8.81 4.08 1.24 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 0.00 0.00 0.00 83 D 7.99 4.85 0.00 2.63 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 84 S 7.45 4.63 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.38 4.70 0.00 2.68 2.78 0.00 0.00 6.77 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 86 T 7.28 4.99 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 1.22 0.00 0.00 87 V 8.83 4.98 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 1.06 0.00 0.00 1.10 0.00 0.00 88 I 9.03 5.09 1.99 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 1.10 0.42 0.91 0.00 0.00 89 A 9.24 5.39 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 90 E 9.33 5.36 0.00 2.05 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 2.31 2.44 0.00 91 F 8.38 5.31 0.00 3.27 3.14 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 92 Q 9.52 5.52 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 93 C 9.14 5.59 0.00 2.87 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 94 D 9.72 4.83 0.00 2.73 2.49 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 95 G 6.97 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 0.00 0.00 0.00 96 H 8.11 5.19 0.00 3.36 3.34 0.00 5.26 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.43 3.81 1.68 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 -0.22 0.00 0.00 0.08 0.00 0.00 98 I 8.38 3.66 1.72 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 1.18 0.55 0.84 0.00 0.00 99 E 8.05 4.03 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 100 T 7.62 4.05 4.15 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 1.10 0.00 0.00 101 G 8.29 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 0.00 0.00 0.00 102 L 7.41 4.38 0.00 1.73 1.56 0.98 0.69 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 0.00 103 P 0.00 4.75 0.00 2.08 2.07 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 104 Y 9.21 4.58 0.00 2.87 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 0.00 105 R 8.24 4.87 0.00 1.63 1.80 0.00 3.29 0.00 0.00 2.25 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.40 0.00 106 Q 7.83 4.17 0.00 1.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.85 0.00 0.00 0.00 0.00 0.00 1.77 1.20 0.00 107 S 8.22 5.04 0.00 3.73 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 0.00 108 Y 9.10 5.07 0.00 1.61 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 0.00 109 I 8.64 4.89 1.85 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 1.16 1.48 0.74 0.00 0.00 110 S 9.41 5.28 0.00 3.69 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 0.00 111 V 8.37 4.58 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 0.98 0.00 0.00 1.00 0.00 0.00 112 I 8.79 4.75 1.65 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.05 0.69 0.00 0.00 113 E 9.20 5.10 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 114 T 8.44 5.09 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 1.05 0.00 0.00 115 R 8.50 4.27 0.00 1.72 1.75 0.00 3.39 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 116 D 10.17 4.45 0.00 2.78 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 0.00 117 G 8.68 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 0.00 0.00 0.00 118 R 7.66 4.09 0.00 1.96 1.82 0.00 3.12 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 119 I 8.32 3.95 0.72 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 0.62 0.21 -0.06 0.00 0.00 120 V 8.85 4.23 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 0.94 0.00 0.00 0.95 0.00 0.00 121 R 7.55 5.23 0.00 1.90 1.68 0.00 3.19 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 122 Y 9.43 4.83 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 0.00 123 R 8.94 4.69 0.00 1.79 1.69 0.00 2.94 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.17 0.00 124 D 8.99 5.40 0.00 3.44 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 0.00 125 Y 8.69 4.06 0.00 3.01 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 0.00 126 W 7.98 5.71 0.00 3.25 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 0.00 127 N 9.48 4.92 0.00 2.88 2.99 0.00 0.00 7.34 7.03 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 0.00 128 P 0.00 4.85 0.00 2.67 3.11 0.00 4.02 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 129 L 8.63 4.18 0.00 2.00 1.81 0.99 0.71 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 0.00 130 V 7.93 3.65 2.25 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 0.79 0.00 0.00 0.92 0.00 0.00 131 V 7.71 3.69 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 -0.42 0.00 0.00 0.69 0.00 0.00 132 K 8.55 4.36 0.00 2.16 2.07 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 133 E 8.49 3.98 0.00 2.21 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 2.36 0.00 134 A 8.00 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 0.00 135 F 8.30 4.31 0.00 3.19 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 0.00 136 G 8.96 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 0.00 137 G 8.82 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 0.00 138 S 7.80 4.64 0.00 3.97 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 0.00 139 F 7.94 3.80 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 0.00 140 L 6.26 2.88 0.00 0.68 0.99 0.52 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.67 4.59 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 142 T 8.11 3.98 3.96 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 0.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.