NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 3.9842 0.0000 0.0000 62.1186 31.2084 175.5960 6 A 3.7972 8.2517 129.5323 54.8563 18.7580 176.9242 7 G 3.9092 7.7081 103.7741 46.1745 0.0000 170.6432 8 R 4.4618 7.4634 115.1231 54.3789 32.1406 172.6217 *10 P 4.6161 0.0000 0.0000 62.3383 33.9262 176.9020 11 L 3.8805 8.3758 120.9113 58.3900 41.5779 180.1104 12 T 3.7662 7.8231 108.9836 64.6058 68.5205 176.5829 13 V 3.4994 7.5092 120.5635 66.0322 31.7855 177.3332 14 H 4.1277 8.2559 115.9907 59.0911 28.5197 177.7004 15 R 3.5839 7.9070 120.3148 59.2472 29.8008 178.3007 16 N 3.5925 7.6340 116.2315 55.9563 38.2879 177.6112 17 V 3.6713 7.5095 119.7653 65.7853 31.6132 178.0856 18 G 3.4071 7.8871 107.2040 47.0487 0.0000 175.6077 19 R 3.7684 7.4036 120.9895 58.7680 30.1181 178.5510 20 W 4.4714 7.9155 118.9994 59.9135 29.0481 178.4672 21 L 4.0876 8.3795 119.1486 57.9304 40.9954 179.5649 22 S 4.1315 8.3211 113.1488 61.3428 62.0810 175.9859 23 E 3.9925 8.5435 120.8280 59.4530 29.4054 179.0883 24 I 3.8828 7.9273 119.7071 64.4049 37.2337 178.2113 25 L 3.9819 8.1467 121.1561 58.6000 41.6792 178.6783 26 H 4.1227 8.4499 115.0819 58.4832 28.7018 176.8271 27 A 4.4673 7.7536 120.4989 52.9877 18.9656 178.0932 28 S 4.6568 7.8420 109.7975 57.8713 64.8343 175.5018 29 I 3.6367 8.1319 122.7668 64.6638 37.4540 176.7058 30 R 4.1979 8.2076 116.4804 56.9778 30.3788 177.2126 31 D 4.6973 8.1973 120.5365 53.1697 40.3962 176.7660 32 T 4.3166 7.6773 117.6223 63.4896 67.7343 176.7574 33 G 3.6627 7.9858 110.1432 46.9392 0.0000 175.8121 34 V 3.6434 7.6477 120.1975 65.8576 31.7810 178.2330 35 S 4.1637 8.3692 114.6480 61.3831 62.8155 176.4625 36 S 4.3294 8.2656 117.9418 61.2885 62.6712 176.8518 37 R 3.9578 7.5454 121.4688 59.0757 29.8100 179.0053 38 I 3.7400 7.9578 119.6636 64.5027 37.0205 178.2773 39 E 3.9798 8.6835 119.8053 59.3470 29.2927 179.1815 40 F 4.1296 8.2776 120.6613 61.3085 39.4732 177.4436 41 V 3.0776 7.8140 117.8042 65.7043 31.3161 177.9737 42 R 3.5653 8.1141 118.8673 59.3511 29.9599 178.4527 43 R 3.8324 8.0406 118.7870 59.5347 29.9974 178.5938 44 T 3.3983 7.2924 115.4186 66.5567 68.3641 176.7238 45 L 3.3330 7.0187 120.5746 57.3627 41.4647 178.8886 46 H 4.2317 7.6398 118.6244 59.1245 29.6096 177.5983 47 G 3.7519 7.8688 106.9433 47.6095 0.0000 175.7228 48 W 4.5095 8.2814 122.1839 59.5045 28.6172 178.9561 49 V 3.8811 8.5393 119.5452 65.0352 30.5085 178.2650 50 R 3.5805 7.6257 116.9893 59.1471 29.8548 178.0302 51 E 4.1381 7.7590 116.1007 58.9811 29.5855 178.6062 52 E 4.0244 8.0284 117.4351 57.3368 30.0721 176.5926 53 Y 4.8140 7.3123 115.8148 55.0820 41.5117 175.4537 54 S 4.5213 8.9687 119.1461 58.0864 65.0212 175.1758 55 E 4.0383 8.6801 122.2823 59.6171 29.0079 179.2005 56 T 3.9697 7.7451 114.7262 66.7987 68.8096 176.2736 57 E 4.4300 8.3837 119.2934 57.9727 30.1750 177.0675 58 L 4.5176 7.9548 120.0227 51.6150 43.1497 173.9185 59 P 4.7267 0.0000 0.0000 61.1392 33.5356 175.9264 60 N 4.3623 9.0927 119.4385 57.4254 38.5841 177.2189 61 A 4.0578 8.0017 120.1093 54.9274 18.7792 179.2648 62 V 3.7585 7.7131 116.3014 66.0048 32.0040 177.2624 63 Y 4.2757 8.5668 119.6761 61.0262 38.3680 178.4809 64 R 3.7659 8.0363 117.4781 58.6525 30.2865 177.1621 65 N 5.1593 7.6542 111.4059 52.1264 39.3360 175.6927 66 L 3.8699 7.9518 122.1871 58.3379 42.1607 178.1748 67 Y 4.0810 7.6936 112.1403 58.1789 39.1754 175.4838 68 F 4.8770 7.3809 118.0910 55.5145 39.4347 172.6424 69 P 4.5117 0.0000 0.0000 62.5470 32.4602 177.0420 70 V 4.0960 7.9222 119.4844 60.8932 31.3647 175.4799 71 L 4.0158 8.2928 128.4083 54.6927 42.0634 178.5960 72 D 4.6078 8.5197 125.6830 53.9018 38.9041 174.1480 73 A 4.7150 7.2499 123.3780 49.2903 22.7597 175.4327 74 Q 3.8424 8.5205 120.3790 56.1499 29.2816 175.8350 *78 A 4.2030 8.1946 121.0666 52.1388 19.4374 176.7570 79 G 4.3128 8.2859 110.7846 45.2094 0.0000 174.0907 80 S 4.1274 8.3568 115.6546 58.9519 63.8565 175.3267 81 G 3.9539 8.4069 108.6114 45.3401 0.0000 172.6445 82 K 4.9522 7.7113 117.8389 54.1626 35.1484 175.9593 83 I 4.1201 9.3743 124.2462 61.0571 37.1169 175.8588 84 E 4.6969 8.7976 123.2638 55.2909 31.6958 176.2181 85 T 4.7628 7.4269 109.0637 59.1189 73.1362 174.6458 86 I 3.6870 8.2006 122.8847 64.5950 37.1196 178.4993 87 S 4.0758 8.0683 113.4565 61.6584 62.1200 176.0505 88 E 3.9701 8.2277 121.1196 59.4579 29.1096 179.0250 89 C 4.1054 8.0510 116.9043 62.9202 28.3151 175.9675 90 D 4.3048 8.3703 120.6055 57.3282 40.4508 178.8088 91 R 3.8682 8.1591 119.3032 59.5379 30.0448 178.6133 92 L 4.0225 8.2264 119.0889 57.4932 41.5525 179.3194 93 K 3.8799 8.2328 119.8439 59.5447 32.0519 178.4159 94 N 4.2306 8.0495 116.9786 56.4906 38.8970 176.8769 95 L 3.6137 7.8578 120.5204 57.6081 41.6142 179.5328 96 V 3.5510 8.0324 118.5335 66.0424 31.3569 178.0040 97 R 3.8075 7.9445 118.3416 59.3835 29.9908 178.0621 98 N 3.8414 7.8837 116.3450 56.1518 38.3010 177.5561 99 V 3.8305 7.4304 119.1880 66.4394 31.7071 178.1711 100 T 3.9302 8.2071 115.8467 66.7743 68.2857 176.3159 101 D 4.3967 8.4516 121.1445 57.6523 40.8325 179.0937 102 T 3.9765 7.9272 115.7862 66.7770 68.5596 176.8213 103 L 4.3933 8.2515 120.9513 57.9680 41.4292 179.8302 104 V 3.7252 7.9103 117.4161 65.9383 31.5305 177.4440 105 E 4.0869 8.2754 118.4282 58.6662 29.5568 177.6280 106 N 4.5662 7.9358 114.2118 52.6028 39.9788 174.7036 107 Y 4.8118 7.3858 117.1711 54.9658 41.0106 173.8620 108 P 4.5179 0.0000 0.0000 62.1786 32.2454 176.1860 109 Q 3.9988 8.6895 118.8867 56.7102 29.1165 177.0221 110 G 3.9974 7.9882 107.5393 43.1872 0.0000 174.1824 111 L 4.0611 8.0821 119.4565 57.7809 41.1784 179.7495 112 E 4.0930 8.1663 118.2100 59.6877 29.6107 179.4825 113 S 4.5126 8.1435 113.6689 61.2826 63.2216 175.7008 114 E 3.9751 8.5562 123.0028 59.0506 29.3111 178.5327 115 A 4.0885 8.1369 120.8450 55.3153 18.4317 179.6552 116 L 4.0612 7.5890 117.4277 58.0432 41.6998 179.8196 117 L 4.0623 8.1925 118.9472 57.5866 41.4096 179.6412 118 I 3.6894 8.2649 120.0841 64.4016 37.1349 178.1899 119 A 3.9915 8.0522 121.5256 55.3539 18.3352 179.7306 120 L 4.0135 8.2483 117.5169 57.8474 41.5812 179.2139 121 D 4.4493 8.4278 118.3596 57.2637 41.1772 178.5370 122 G 3.5817 8.4734 106.6558 47.6427 0.0000 175.8180 123 V 3.6294 7.9195 120.4993 65.8639 31.4560 178.2444 124 K 3.9930 7.9767 117.8193 59.4719 31.9808 179.2216 125 L 3.9830 8.1189 119.4076 57.8536 41.0171 179.5331 126 E 3.9933 8.3331 118.4679 59.3649 29.3527 179.2866 127 L 4.0267 8.3853 119.2724 57.7615 41.6784 179.4350 128 A 3.9733 8.3152 120.9789 55.0054 18.2695 179.6992 129 R 3.8183 7.8797 116.6601 59.6557 30.1975 178.6846 130 I 3.6982 7.7949 119.5577 64.4024 37.0597 178.2560 131 R 3.8605 8.2294 119.6520 59.4742 29.6976 178.3741 132 K 3.8921 7.9022 117.8694 59.4799 32.2079 177.8620 133 D 4.5824 8.0907 117.4299 57.4066 41.4069 177.9993 134 I 4.1139 7.9809 120.3471 64.4394 36.8859 178.5454 135 E 4.0131 7.9895 114.3089 57.8520 29.2952 177.4991 *137 Y 4.5215 7.7143 115.0143 56.7686 39.7937 176.5345 138 G 3.8196 8.4854 112.5215 45.0002 0.0000 173.2932 139 D 4.4697 8.4561 117.4293 52.6876 40.2893 170.7624 140 P 4.3224 0.0000 0.0000 65.0461 31.3388 178.1535 141 R 4.0529 8.1534 116.5982 58.5286 30.2891 177.4793 142 K 4.2311 8.1523 124.5460 54.5542 32.6923 181.2333 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 5 P 0.00 3.98 0.00 1.16 0.49 0.00 3.38 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.00 6 A 8.25 3.80 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 7 G 7.71 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 0.00 0.00 0.00 8 R 7.46 4.46 0.00 2.02 1.77 0.00 2.98 0.00 0.00 3.14 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 *10 P 0.00 4.62 0.00 2.23 2.09 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 11 L 8.38 3.88 0.00 1.51 1.53 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.82 3.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 13 V 7.51 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 1.17 0.00 0.00 0.94 0.00 0.00 14 H 8.26 4.13 0.00 3.36 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.91 3.58 0.00 1.81 1.89 0.00 2.98 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 16 N 7.63 3.59 0.00 2.36 1.42 0.00 0.00 6.67 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.51 3.67 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 1.35 0.00 0.00 1.16 0.00 0.00 18 G 7.89 3.41 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 0.00 19 R 7.40 3.77 0.00 1.75 1.68 0.00 3.04 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 20 W 7.92 4.47 0.00 3.66 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 21 L 8.38 4.09 0.00 1.86 1.75 1.02 1.14 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 22 S 8.32 4.13 0.00 3.93 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 23 E 8.54 3.99 0.00 2.21 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 2.37 2.50 0.00 24 I 7.93 3.88 2.06 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 1.44 1.65 0.94 0.00 0.00 25 L 8.15 3.98 0.00 1.89 1.83 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.45 4.12 0.00 3.29 3.40 0.00 5.89 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.75 4.47 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.84 4.66 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.13 3.64 1.96 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 1.40 0.68 0.91 0.00 0.00 30 R 8.21 4.20 0.00 1.94 1.95 0.00 3.20 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 31 D 8.20 4.70 0.00 2.80 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 32 T 7.68 4.32 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 33 G 7.99 3.66 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 0.00 34 V 7.65 3.64 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 1.10 0.00 0.00 0.94 0.00 0.00 35 S 8.37 4.16 0.00 4.09 4.31 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 36 S 8.27 4.33 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 37 R 7.55 3.96 0.00 2.17 2.06 0.00 3.30 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 38 I 7.96 3.74 1.90 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 1.74 0.97 0.96 0.00 0.00 39 E 8.68 3.98 0.00 2.17 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 0.00 2.38 2.48 0.00 40 F 8.28 4.13 0.00 3.10 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 41 V 7.81 3.08 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 0.80 0.00 0.00 1.04 0.00 0.00 42 R 8.11 3.57 0.00 1.76 2.00 0.00 2.73 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.30 0.00 43 R 8.04 3.83 0.00 1.99 1.86 0.00 3.25 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 44 T 7.29 3.40 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 45 L 7.02 3.33 0.00 0.47 0.92 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.64 4.23 0.00 3.15 3.45 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.87 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 0.00 0.00 0.00 48 W 8.28 4.51 0.00 3.50 3.40 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 49 V 8.54 3.88 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 1.29 0.00 0.00 0.93 0.00 0.00 50 R 7.63 3.58 0.00 1.28 2.07 0.00 2.21 0.00 0.00 2.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 51 E 7.76 4.14 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 2.35 2.55 0.00 52 E 8.03 4.02 0.00 2.31 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 2.38 2.66 0.00 53 Y 7.31 4.81 0.00 2.99 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 54 S 8.97 4.52 0.00 4.06 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 55 E 8.68 4.04 0.00 2.09 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 2.38 2.47 0.00 56 T 7.75 3.97 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 1.23 0.00 0.00 57 E 8.38 4.43 0.00 2.12 2.24 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 2.45 2.39 0.00 58 L 7.95 4.52 0.00 1.45 1.69 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.73 0.00 2.22 1.97 0.00 3.98 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 2.12 2.01 0.00 60 N 9.09 4.36 0.00 2.90 2.91 0.00 0.00 7.18 7.20 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 61 A 8.00 4.06 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 62 V 7.71 3.76 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 1.01 0.00 0.00 0.94 0.00 0.00 63 Y 8.57 4.28 0.00 3.02 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 64 R 8.04 3.77 0.00 1.86 1.96 0.00 3.22 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 65 N 7.65 5.16 0.00 2.66 2.80 0.00 0.00 6.91 8.43 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 66 L 7.95 3.87 0.00 1.79 1.68 0.75 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.69 4.08 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.38 4.88 0.00 3.27 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 69 P 0.00 4.51 0.00 2.12 1.95 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 70 V 7.92 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 0.85 0.00 0.00 0.94 0.00 0.00 71 L 8.29 4.02 0.00 1.50 1.51 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.52 4.61 0.00 2.59 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 73 A 7.25 4.71 1.19 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 0.00 0.00 74 Q 8.52 3.84 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 *78 A 8.19 4.20 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 79 G 8.29 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.36 4.13 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.41 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 82 K 7.71 4.95 0.00 1.89 1.69 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 83 I 9.37 4.12 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 1.31 0.67 0.92 0.00 0.00 84 E 8.80 4.70 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.43 0.00 85 T 7.43 4.76 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 86 I 8.20 3.69 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 1.53 0.94 0.91 0.00 0.00 87 S 8.07 4.08 0.00 3.88 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 88 E 8.23 3.97 0.00 2.18 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 2.34 2.50 0.00 89 C 8.05 4.11 0.00 3.16 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 90 D 8.37 4.30 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.16 3.87 0.00 1.95 2.05 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 92 L 8.23 4.02 0.00 1.89 1.70 0.94 1.08 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 93 K 8.23 3.88 0.00 1.90 1.94 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 94 N 8.05 4.23 0.00 2.85 2.88 0.00 0.00 7.23 6.02 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 95 L 7.86 3.61 0.00 1.86 1.68 1.03 0.73 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 96 V 8.03 3.55 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 1.12 0.00 0.00 0.96 0.00 0.00 97 R 7.94 3.81 0.00 1.97 1.90 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 98 N 7.88 3.84 0.00 1.77 1.42 0.00 0.00 6.67 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.43 3.83 2.27 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 1.16 0.00 0.00 1.27 0.00 0.00 100 T 8.21 3.93 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 1.24 0.00 0.00 101 D 8.45 4.40 0.00 2.82 2.72 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 0.00 102 T 7.93 3.98 4.65 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 1.46 0.00 0.00 103 L 8.25 4.39 0.00 1.85 1.95 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.91 3.73 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 0.84 0.00 0.00 1.06 0.00 0.00 105 E 8.28 4.09 0.00 2.13 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 0.00 2.32 2.36 0.00 106 N 7.94 4.57 0.00 2.65 2.46 0.00 0.00 6.82 8.23 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 0.00 107 Y 7.39 4.81 0.00 3.21 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 0.00 108 P 0.00 4.52 0.00 2.20 2.07 0.00 3.93 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 2.02 2.00 0.00 109 Q 8.69 4.00 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 110 G 7.99 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 0.00 0.00 0.00 111 L 8.08 4.06 0.00 1.73 1.79 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.17 4.09 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 113 S 8.14 4.51 0.00 4.21 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 0.00 114 E 8.56 3.98 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 115 A 8.14 4.09 1.58 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 0.00 0.00 116 L 7.59 4.06 0.00 1.83 1.66 0.17 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.19 4.06 0.00 1.75 1.76 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.26 3.69 2.03 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 1.47 0.85 0.90 0.00 0.00 119 A 8.05 3.99 1.52 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 0.00 0.00 120 L 8.25 4.01 0.00 1.92 1.75 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.43 4.45 0.00 2.87 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 0.00 122 G 8.47 3.58 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 0.00 0.00 0.00 123 V 7.92 3.63 2.26 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 1.07 0.00 0.00 1.02 0.00 0.00 124 K 7.98 3.99 0.00 2.09 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 125 L 8.12 3.98 0.00 1.85 1.72 0.92 1.09 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 0.00 126 E 8.33 3.99 0.00 2.16 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 2.42 2.49 0.00 127 L 8.39 4.03 0.00 1.79 1.72 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.32 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 0.00 129 R 7.88 3.82 0.00 1.93 2.10 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 130 I 7.79 3.70 2.01 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 1.42 0.52 0.95 0.00 0.00 131 R 8.23 3.86 0.00 1.91 2.11 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 132 K 7.90 3.89 0.00 1.98 1.94 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 133 D 8.09 4.58 0.00 2.78 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 0.00 134 I 7.98 4.11 2.02 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 1.55 0.71 0.93 0.00 0.00 135 E 7.99 4.01 0.00 2.02 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 2.33 2.50 0.00 *137 Y 7.71 4.52 0.00 3.01 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 0.00 138 G 8.49 3.82 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 0.00 0.00 0.00 139 D 8.46 4.47 0.00 2.62 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 0.00 140 P 0.00 4.32 0.00 2.03 2.18 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 141 R 8.15 4.05 0.00 1.80 2.00 0.00 3.15 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 142 K 8.15 4.23 0.00 1.69 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.