NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.4025 8.1849 122.5240 55.2178 42.2909 175.8032 13 D 4.6079 7.9536 123.1108 52.5596 43.2073 174.6170 14 R 4.3873 7.9254 118.6337 60.6186 31.5998 173.3374 15 I 3.8281 7.5679 118.0354 64.2820 38.0187 177.9858 16 D 4.3836 8.0794 119.0627 57.0246 40.4572 178.8364 17 R 3.9196 8.1543 119.1477 59.4837 30.0681 178.7266 18 N 4.3249 8.1620 115.6453 56.2692 38.4237 177.1452 19 I 3.6898 7.6602 121.2068 64.4789 37.2824 178.0440 20 L 3.9757 8.1615 119.6979 58.1685 41.5766 179.0519 21 N 4.4592 8.4580 116.8692 56.9717 38.6628 176.7216 22 E 3.9460 8.5434 119.9766 59.5167 29.3426 179.1681 23 L 4.1028 8.2926 119.6276 57.9713 41.4616 179.6691 24 Q 4.1313 8.1959 119.0831 59.5886 28.8678 178.8311 25 K 4.4252 8.0061 124.2193 57.7419 32.1362 179.2564 26 D 4.6227 7.3052 110.2849 54.3203 43.2772 175.6369 27 G 3.8550 9.0591 118.4762 49.2828 0.0000 174.1040 28 R 4.2875 7.9222 121.8426 55.6987 27.2545 177.3323 29 I 4.7060 7.2926 119.3971 56.9123 39.8449 176.7158 30 S 4.4517 8.3575 117.5911 56.9561 64.2090 174.7717 31 N 4.2495 8.6705 123.9434 56.4014 37.0327 177.2920 32 V 3.7372 7.6676 121.4863 64.2141 31.4423 177.7459 33 E 4.0321 8.2246 121.0161 59.3240 29.6156 178.9490 34 L 4.2570 8.3175 122.2227 57.9396 41.4573 180.2273 35 S 4.9385 7.9996 114.1361 59.1419 63.0777 175.3512 36 K 4.2918 8.2112 123.7432 57.8972 33.3789 180.0609 37 R 4.5876 7.7606 115.1786 55.9744 29.4889 179.7193 38 V 3.9244 7.6384 113.3793 63.0702 32.3948 176.7341 39 G 4.0619 9.3361 110.1159 46.0590 0.0000 172.5879 40 L 4.6693 7.4935 118.7752 53.5292 45.8713 177.7014 41 S 4.9259 8.1792 111.8886 56.9172 64.6924 170.4450 42 P 3.7551 0.0000 0.0000 67.4407 31.2568 178.2229 43 T 4.0403 8.7667 114.7914 64.0549 69.4308 175.8806 44 P 4.3766 0.0000 0.0000 65.1324 31.2422 176.3929 45 C 4.5948 7.8002 119.6045 58.0278 32.1725 172.2747 46 L 4.5422 8.2833 125.8675 56.5974 45.3881 176.9066 47 E 4.4179 8.2158 116.7229 56.8190 30.8268 183.6202 48 R 3.9805 7.9791 119.4289 62.4908 29.3278 184.3399 49 V 3.8592 8.1328 114.6530 65.1997 31.3198 179.3288 50 R 4.4280 8.4226 122.2547 60.8283 29.2047 183.4245 51 R 4.1464 8.3402 116.7750 59.0988 29.4233 179.0544 52 L 4.1462 7.7202 119.4240 57.5849 41.5910 178.8541 53 E 4.4124 8.4277 120.9500 59.3861 29.2179 180.0564 54 R 4.1532 8.1456 123.0226 62.5507 29.8168 182.6396 55 Q 4.4819 9.0188 121.8931 56.5333 28.0058 178.0228 56 G 4.9276 7.6811 118.4740 45.8238 0.0000 173.8501 57 F 3.9315 8.9469 121.6290 60.9210 39.0800 176.3006 58 I 4.1232 7.6709 122.9664 59.2793 35.2285 178.5150 59 Q 4.1218 8.5824 125.7153 54.8419 28.3500 172.9918 60 G 4.2266 6.5498 102.4822 44.9014 0.0000 170.8502 61 Y 4.7640 7.8099 116.4845 56.6401 41.0827 175.0782 62 T 4.5575 8.2261 114.5347 61.2101 70.3682 172.4387 63 A 4.6150 8.5082 130.3622 51.0638 20.7702 177.2785 64 L 4.5842 8.5317 123.9689 53.1567 42.3480 176.1449 65 L 4.7023 8.3360 126.6792 51.9392 43.3362 173.1969 66 N 4.6071 8.4647 117.8576 51.1837 37.2126 175.0671 67 P 4.4662 0.0000 0.0000 64.3510 31.7094 179.1426 *68 H 4.1862 7.8672 114.8261 56.8820 28.0906 181.1458 69 Y 4.9274 7.7224 114.1905 57.8474 37.9652 174.6168 70 L 4.8640 7.3697 119.5530 52.8719 45.4624 175.9443 71 D 4.7068 8.3684 118.3279 53.0897 39.9629 177.7285 72 A 4.5398 7.2255 118.7048 51.3590 19.8663 178.8184 73 S 4.4068 8.2293 118.2900 60.0998 63.3741 176.1233 74 L 4.8165 7.3919 121.2021 53.5206 44.0143 175.0811 75 L 5.2210 8.2463 126.9168 53.4453 45.6409 175.1682 76 V 4.4303 8.7004 123.0275 60.7206 34.9426 173.1180 77 F 5.1604 9.0457 122.4859 56.6403 41.8278 175.2625 78 V 4.9305 8.6076 112.9496 60.3192 36.5368 173.8653 79 E 4.5661 9.8857 126.5581 55.1725 30.7060 174.9698 80 I 5.0558 8.8499 126.1120 59.7388 40.4302 175.0643 81 T 4.8768 8.7715 124.9142 62.4160 71.0856 173.7139 82 L 4.4183 7.9113 129.0235 53.4898 42.3976 172.3959 83 N 4.4098 8.7349 125.2592 52.9770 39.3907 176.9674 84 R 4.3577 8.7264 126.4106 56.3702 26.8555 172.3940 85 G 3.8373 7.8791 111.4676 45.7601 0.0000 170.9359 86 A 4.8181 7.4256 122.7920 48.5655 21.4395 175.8218 87 P 4.2805 0.0000 0.0000 66.3622 31.6617 177.6986 88 D 4.8603 8.2674 118.1235 54.0702 39.6273 183.4435 89 V 3.8057 8.7239 123.8318 67.1960 31.4173 182.3655 90 F 4.5972 8.7576 121.9908 60.5843 39.0763 177.9918 91 E 4.1625 8.7821 119.9372 62.2475 29.0919 181.8192 92 Q 4.2308 8.2641 120.5306 59.9430 28.6815 179.8182 93 F 4.3295 7.9381 122.5993 61.2901 39.4452 176.5508 94 N 4.3729 8.6239 116.2800 56.5894 38.7109 177.8299 95 T 4.2636 7.8707 109.7895 61.1967 69.1067 174.5580 96 A 4.5823 7.5424 121.4349 53.8022 25.1433 178.2186 97 V 3.7410 7.5669 117.4067 63.6856 32.4225 179.3350 98 Q 3.9466 7.6914 120.1630 58.4549 27.9932 183.2408 99 K 3.9961 7.9682 118.8706 56.8041 31.8544 178.5736 100 L 4.2983 7.5382 120.5357 54.6396 40.2649 177.8396 101 E 4.2911 8.4721 118.9633 56.9931 29.9057 175.8916 102 E 4.1717 8.1555 118.3268 59.0142 29.9331 176.4515 103 I 4.5461 7.1073 112.4283 58.9241 38.6520 174.6459 104 Q 4.1616 7.8447 125.4294 56.4766 28.1643 175.3582 105 E 4.7109 8.0082 117.8001 55.4833 32.4864 174.6742 106 C 5.3908 8.7202 123.1059 58.4076 34.4053 172.5645 107 H 5.0541 9.6670 122.8094 53.9889 32.7808 172.8181 108 L 4.3298 8.5615 123.0807 53.7271 42.4446 175.8346 109 V 4.3414 8.2558 120.0731 59.5861 34.1314 175.3333 110 S 4.6244 9.0080 115.6619 57.2219 65.4617 173.6695 111 G 3.6671 8.4622 107.4725 44.3811 0.0000 172.4249 112 D 4.3063 8.2454 121.5829 56.6643 40.9373 177.6854 113 F 4.6206 8.6368 117.2935 57.0905 39.5992 174.9722 114 D 4.5953 8.7837 119.1232 54.9762 42.9650 176.2348 115 Y 5.8552 8.6946 114.8774 55.2563 42.1506 175.1289 116 L 5.2667 8.7803 122.5778 53.7576 45.6180 174.7459 117 L 5.3827 9.1478 129.4140 53.5801 44.7649 176.4776 118 K 3.8858 9.1894 127.9943 53.8346 33.2930 172.3968 119 T 4.7709 8.5240 120.8478 59.2035 71.1107 173.1213 120 R 5.2787 8.1017 127.9524 54.4673 32.0422 176.0695 121 V 4.4799 8.1404 123.8593 58.7884 34.0278 171.1926 122 P 4.2767 0.0000 0.0000 64.6387 31.3546 176.0001 123 D 4.9793 7.9170 118.2534 51.0522 44.0265 175.5828 124 M 4.1082 8.7417 123.0760 58.7591 31.8404 178.9458 125 S 4.1456 9.2566 114.5843 61.3920 63.3775 175.9593 126 A 3.9448 8.1014 124.4841 55.1473 17.8232 178.8595 127 Y 4.2048 8.1449 119.6158 61.6589 38.7469 179.0626 128 R 3.3791 7.5263 121.3164 61.5956 29.3715 181.1735 129 K 4.2776 7.8708 122.1648 59.9181 32.3667 182.4586 130 L 4.1693 8.4766 123.2862 56.9254 41.5876 177.0681 131 L 4.0087 7.9676 121.3865 55.5532 42.5432 176.5704 132 G 3.8862 8.7094 112.2139 46.0869 0.0000 173.8149 133 E 4.5787 7.3167 115.8274 57.2960 34.5438 175.4364 134 T 4.2214 7.3442 109.0596 61.3647 72.1935 177.9428 135 L 4.5304 6.7758 120.1600 57.4833 44.0989 178.1764 136 L 4.0906 7.9558 122.4179 57.7955 41.8700 178.3956 137 R 4.5347 7.7107 116.0880 56.1592 29.7785 181.5053 138 L 4.3961 7.3406 118.4904 53.5830 42.6868 174.3163 139 P 4.1007 0.0000 0.0000 63.4741 30.8115 172.3338 140 G 3.9690 9.3732 118.3457 45.0904 0.0000 171.7711 141 V 4.2651 7.7208 119.2456 61.4124 33.5571 170.6406 142 N 4.8073 9.7664 122.1572 54.4733 39.9846 174.4974 143 D 4.9835 7.8640 116.3530 52.9899 45.7229 174.3559 144 T 5.2317 8.3773 114.5128 61.2951 69.8714 172.5166 145 R 4.1902 8.9904 130.0489 56.9610 30.8133 173.8271 146 T 4.8917 8.2401 119.0325 59.6611 69.8214 173.5463 147 Y 4.5821 8.9217 125.3298 56.1058 40.7317 175.2340 148 V 4.2225 8.3982 117.9940 60.9598 32.8580 176.3371 149 V 4.2013 7.8518 124.1853 60.9832 31.6749 176.1868 150 M 4.1187 8.8606 125.7050 57.3118 32.3716 176.1869 151 E 4.3390 7.6734 117.7036 55.1839 30.4106 173.8686 152 E 4.2420 8.7337 125.8830 55.8649 30.0488 176.9594 153 V 4.0973 8.5117 125.9192 62.6213 32.9167 177.0810 154 K 4.5300 7.7802 122.9631 53.6024 35.1956 180.9463 155 Q 4.4750 8.4819 123.2969 54.4755 29.2989 171.4162 156 S 4.5798 8.2830 123.0629 56.6055 65.6992 173.3827 157 N 4.7563 8.9979 124.4104 52.5074 37.6446 172.6200 158 R 4.0454 7.5274 119.0649 57.9025 29.9351 182.7585 159 L 4.4619 8.3352 125.5703 53.0722 43.0328 174.6880 160 V 4.2681 8.1908 114.7975 61.3572 32.0927 170.3473 161 I 4.2103 8.1794 125.9838 58.3747 36.2833 174.9111 162 K 4.4612 8.0317 129.6128 53.5475 32.7943 174.3298 163 T 3.0607 7.5763 115.1989 58.0927 70.3742 171.5407 164 R 4.2398 7.9599 125.2054 56.7830 29.3733 178.3536 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 12 L 8.18 4.40 0.00 1.75 1.75 0.97 0.99 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 13 D 7.95 4.61 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.93 4.39 0.00 1.80 1.82 0.00 3.27 0.00 0.00 3.26 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 15 I 7.57 3.83 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.02 0.89 0.00 0.00 16 D 8.08 4.38 0.00 2.65 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 17 R 8.15 3.92 0.00 1.97 1.99 0.00 3.25 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 18 N 8.16 4.32 0.00 2.95 2.88 0.00 0.00 7.03 7.21 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 19 I 7.66 3.69 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.96 0.93 0.00 0.00 20 L 8.16 3.98 0.00 1.88 1.76 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.46 4.46 0.00 2.78 2.97 0.00 0.00 7.34 8.06 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 22 E 8.54 3.95 0.00 2.26 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 2.52 2.51 0.00 23 L 8.29 4.10 0.00 1.93 1.86 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.20 4.13 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.97 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 25 K 8.01 4.43 0.00 1.90 1.77 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.31 7.81 26 D 7.31 4.62 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 27 G 9.06 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 28 R 7.92 4.29 0.00 1.85 1.77 0.00 3.21 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 29 I 7.29 4.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.24 0.91 0.00 0.00 30 S 8.36 4.45 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.67 4.25 0.00 2.89 2.94 0.00 0.00 6.08 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 32 V 7.67 3.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 33 E 8.22 4.03 0.00 1.96 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 2.29 2.44 0.00 34 L 8.32 4.26 0.00 1.75 1.58 0.92 0.74 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 35 S 8.00 4.94 0.00 3.91 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.21 4.29 0.00 1.78 1.71 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 0.97 7.81 37 R 7.76 4.59 0.00 1.82 1.82 0.00 3.22 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 38 V 7.64 3.92 2.08 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 0.88 0.00 0.00 0.92 0.00 0.00 39 G 9.34 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.49 4.67 0.00 1.62 1.40 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.18 4.93 0.00 3.63 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 42 P 0.00 3.76 0.00 2.03 1.93 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 43 T 8.77 4.04 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 44 P 0.00 4.38 0.00 2.17 2.17 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 45 C 7.80 4.59 0.00 2.89 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 46 L 8.28 4.54 0.00 1.84 1.78 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.22 4.42 0.00 1.91 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 2.24 1.85 0.00 48 R 7.98 3.98 0.00 1.81 1.98 0.00 3.24 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 49 V 8.13 3.86 2.18 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 0.73 0.00 0.00 1.04 0.00 0.00 50 R 8.42 4.43 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.00 51 R 8.34 4.15 0.00 2.01 2.21 0.00 2.69 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 52 L 7.72 4.15 0.00 2.01 1.82 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.43 4.41 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 54 R 8.15 4.15 0.00 1.90 1.83 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 55 Q 9.02 4.48 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 56 G 7.68 4.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.95 3.93 0.00 3.09 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 58 I 7.67 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.91 0.00 0.00 59 Q 8.58 4.12 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 60 G 6.55 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 0.00 0.00 0.00 0.00 61 Y 7.81 4.76 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.23 4.56 4.28 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 1.23 0.00 0.00 63 A 8.51 4.61 1.26 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 0.00 0.00 64 L 8.53 4.58 0.00 1.66 1.47 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.34 4.70 0.00 1.64 1.46 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.46 4.61 0.00 2.64 2.76 0.00 0.00 6.73 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 67 P 0.00 4.47 0.00 2.12 2.16 0.00 3.49 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 *68 H 7.87 4.19 0.00 2.93 2.98 0.00 7.19 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.72 4.93 0.00 2.96 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 70 L 7.37 4.86 0.00 1.61 1.60 0.94 1.11 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 71 D 8.37 4.71 0.00 2.68 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 72 A 7.23 4.54 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 73 S 8.23 4.41 0.00 3.64 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 74 L 7.39 4.82 0.00 1.69 1.88 0.84 0.33 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 75 L 8.25 5.22 0.00 1.70 1.40 0.70 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.70 4.43 1.71 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 0.14 0.00 0.00 0.48 0.00 0.00 77 F 9.05 5.16 0.00 3.23 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 78 V 8.61 4.93 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 0.84 0.00 0.00 1.13 0.00 0.00 79 E 9.89 4.57 0.00 1.73 1.12 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 0.00 1.47 1.97 0.00 80 I 8.85 5.06 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.84 0.00 0.00 81 T 8.77 4.88 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 82 L 7.91 4.42 0.00 1.25 1.44 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.73 4.41 0.00 2.87 2.76 0.00 0.00 6.99 7.65 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 84 R 8.73 4.36 0.00 1.87 1.74 0.00 3.31 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 85 G 7.88 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 0.00 0.00 0.00 86 A 7.43 4.82 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 87 P 0.00 4.28 0.00 2.07 2.16 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 88 D 8.27 4.86 0.00 2.60 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 89 V 8.72 3.81 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 90 F 8.76 4.60 0.00 3.11 3.32 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 91 E 8.78 4.16 0.00 1.97 1.99 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 2.32 1.97 0.00 92 Q 8.26 4.23 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 93 F 7.94 4.33 0.00 3.05 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 94 N 8.62 4.37 0.00 3.12 2.97 0.00 0.00 6.89 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 95 T 7.87 4.26 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 1.27 0.00 0.00 96 A 7.54 4.58 1.25 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 97 V 7.57 3.74 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 0.72 0.00 0.00 0.72 0.00 0.00 98 Q 7.69 3.95 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 99 K 7.97 4.00 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.04 7.81 100 L 7.54 4.30 0.00 1.72 1.62 0.84 0.83 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 0.00 101 E 8.47 4.29 0.00 1.99 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 2.23 1.90 0.00 102 E 8.16 4.17 0.00 2.06 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 2.39 2.35 0.00 103 I 7.11 4.55 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.92 0.00 0.00 104 Q 7.84 4.16 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 105 E 8.01 4.71 0.00 1.97 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 2.42 2.33 0.00 106 C 8.72 5.39 0.00 3.03 2.87 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 0.00 107 H 9.67 5.05 0.00 3.23 3.20 0.00 5.82 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 0.00 108 L 8.56 4.33 0.00 1.40 1.50 0.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.26 4.34 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 0.72 0.00 0.00 0.52 0.00 0.00 110 S 9.01 4.62 0.00 3.88 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 0.00 111 G 8.46 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 0.00 112 D 8.25 4.31 0.00 2.96 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 0.00 113 F 8.64 4.62 0.00 3.40 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.78 4.60 0.00 2.55 2.37 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 0.00 115 Y 8.69 5.86 0.00 2.87 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 0.00 116 L 8.78 5.27 0.00 2.16 1.73 1.28 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 L 9.15 5.38 0.00 1.81 1.62 1.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 118 K 9.19 3.89 0.00 1.38 1.71 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.23 7.81 119 T 8.52 4.77 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 1.30 0.00 0.00 120 R 8.10 5.28 0.00 1.65 1.80 0.00 3.10 0.00 0.00 3.19 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 0.00 121 V 8.14 4.48 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 122 P 0.00 4.28 0.00 2.07 2.44 0.00 3.69 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 2.01 2.01 0.00 123 D 7.92 4.98 0.00 2.66 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 0.00 124 M 8.74 4.11 0.00 2.19 2.09 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 2.73 2.71 0.00 125 S 9.26 4.15 0.00 4.05 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.10 3.94 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 0.00 127 Y 8.14 4.20 0.00 3.10 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 0.00 128 R 7.53 3.38 0.00 1.99 1.85 0.00 3.32 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 129 K 7.87 4.28 0.00 1.84 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.31 7.81 130 L 8.48 4.17 0.00 1.74 1.80 0.99 0.53 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 0.00 131 L 7.97 4.01 0.00 1.00 1.10 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.71 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 0.00 0.00 0.00 133 E 7.32 4.58 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 134 T 7.34 4.22 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 0.00 135 L 6.78 4.53 0.00 1.93 1.58 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.96 4.09 0.00 1.64 1.71 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.71 4.53 0.00 1.82 1.79 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 138 L 7.34 4.40 0.00 1.78 1.69 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.10 0.00 2.11 2.12 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 140 G 9.37 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 0.00 141 V 7.72 4.27 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 0.75 0.00 0.00 0.94 0.00 0.00 142 N 9.77 4.81 0.00 2.58 2.89 0.00 0.00 6.74 8.72 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 0.00 143 D 7.86 4.98 0.00 2.71 2.46 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 0.00 144 T 8.38 5.23 4.28 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 1.24 0.00 0.00 145 R 8.99 4.19 0.00 1.54 1.86 0.00 3.24 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 146 T 8.24 4.89 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 1.25 0.00 0.00 147 Y 8.92 4.58 0.00 2.90 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 0.00 148 V 8.40 4.22 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 0.56 0.00 0.00 0.92 0.00 0.00 149 V 7.85 4.20 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 0.73 0.00 0.00 1.00 0.00 0.00 150 M 8.86 4.12 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 151 E 7.67 4.34 0.00 1.88 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 2.19 2.27 0.00 152 E 8.73 4.24 0.00 2.14 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 2.27 2.29 0.00 153 V 8.51 4.10 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 154 K 7.78 4.53 0.00 1.73 1.55 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 0.99 7.81 155 Q 8.48 4.48 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.69 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 156 S 8.28 4.58 0.00 3.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 9.00 4.76 0.00 2.74 2.74 0.00 0.00 6.81 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 0.00 158 R 7.53 4.05 0.00 1.86 1.76 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 159 L 8.34 4.46 0.00 1.66 1.53 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.19 4.27 2.08 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 0.91 0.00 0.00 0.93 0.00 0.00 161 I 8.18 4.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.91 0.00 0.00 162 K 8.03 4.46 0.00 1.72 1.61 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.95 7.81 163 T 7.58 3.06 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 0.00 164 R 7.96 4.24 0.00 1.95 1.77 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.