NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3830 8.1693 122.4927 53.9577 45.3430 179.9174 14 N 4.6880 7.4278 123.8468 51.5938 36.4652 175.5361 15 S 4.1218 8.9650 113.8730 57.7000 63.0343 173.8021 16 E 3.8033 8.5715 123.7258 56.3364 29.8281 177.2413 17 L 4.2503 8.2317 125.1896 54.2812 42.7759 176.8406 18 L 4.2638 8.8674 121.6521 54.4147 42.1043 178.3122 19 E 4.1265 8.9450 121.6195 59.9819 29.0327 179.7055 20 E 4.0824 8.1899 117.5821 58.8355 29.5819 178.8238 21 Q 4.2358 8.4685 118.5957 58.1228 29.1189 177.9237 22 K 4.0100 8.0870 119.0777 59.9392 32.2026 178.8586 23 Q 4.1426 7.9828 117.5611 59.2167 28.5722 179.1513 24 E 3.9736 7.8755 118.8567 59.4051 29.6655 178.8693 25 I 3.9590 7.9633 119.5518 65.5307 37.3563 176.9620 26 Y 4.2459 8.7583 118.6190 61.0847 38.3549 177.9066 27 E 3.9566 9.0714 118.0704 59.8418 29.9982 179.3014 28 A 3.7927 8.3079 120.3348 55.3664 18.4651 179.2864 29 F 3.5971 8.6899 118.3622 61.4840 39.3268 177.3466 30 S 3.8281 8.0760 111.5108 61.0538 62.0519 175.3412 31 L 3.9946 7.3527 121.5421 56.1197 41.9749 176.9506 32 F 4.9991 7.0666 114.9927 57.3401 40.1533 175.1319 33 D 4.1676 7.4399 121.0814 54.0988 41.4587 176.2924 *35 N 4.6106 8.4290 117.7644 51.2688 39.2092 173.9221 36 N 4.4486 7.7925 110.9809 53.9884 35.3808 174.5172 37 D 4.6417 8.3841 116.3659 53.6706 40.4871 177.3653 38 G 3.9427 9.8126 109.2164 45.6307 0.0000 172.7704 39 F 5.3154 8.5774 115.9704 55.5515 42.8301 174.3445 40 L 5.4162 8.6964 121.1662 51.3613 44.8591 176.6683 41 D 4.8167 8.8453 123.9465 52.2641 42.0187 176.3893 42 Y 4.1579 8.6244 119.5924 61.4952 38.5940 177.8030 43 H 3.8793 8.3079 115.9440 59.1035 29.0079 177.5769 44 E 3.9472 9.0797 120.2671 58.8328 28.8365 178.8264 45 L 4.1813 7.7484 120.0500 56.7242 42.2524 178.4203 46 K 3.6764 7.6782 119.2348 59.4833 32.3370 178.9288 47 V 3.5686 7.0429 111.4912 64.0259 30.8466 179.2578 48 A 4.7289 7.0367 119.9298 52.8113 18.3372 179.4037 *50 K 4.0911 8.2744 120.1103 58.0435 33.9581 178.4571 51 A 4.1955 8.3542 120.4268 54.8071 18.3969 177.9973 52 L 4.4528 7.6763 113.8364 54.3473 41.6580 176.7273 53 G 3.7220 8.4985 106.5369 46.9923 0.0000 174.4557 54 F 5.0137 7.9148 114.8031 55.6198 39.7387 175.7580 55 E 3.8535 8.4493 121.2913 57.0312 29.5461 175.8136 56 L 4.7637 8.1386 125.5405 52.3093 44.3395 175.3544 57 P 4.4618 0.0000 0.0000 62.0079 33.2514 177.2677 58 K 4.0683 8.8467 122.5820 60.3612 31.9993 178.8976 59 R 3.8842 8.0895 117.1494 59.9448 29.9604 178.5776 60 E 4.0975 8.0599 116.2730 59.0615 29.2872 179.7394 61 I 3.8490 7.8472 120.4595 64.2188 37.2284 178.2732 62 L 4.0768 8.0159 119.3222 58.0904 41.5781 178.8085 63 D 4.4635 8.4775 119.2094 57.6324 40.5125 179.2338 64 L 4.0967 7.4835 119.7089 58.1278 42.5732 178.6114 65 I 3.9996 7.6610 119.5490 64.9339 37.0036 177.4933 66 D 4.3830 8.2740 119.2750 57.8047 40.4644 178.6689 67 E 3.5995 8.0906 119.6453 59.4472 29.8076 178.1463 68 Y 4.5811 7.7108 113.3266 56.6400 38.3771 174.8625 69 D 4.7891 8.8194 121.3450 52.6611 42.2879 175.0781 70 S 4.4639 8.3547 121.4040 59.5926 63.0058 175.0234 71 E 4.4351 7.9461 118.6554 56.6658 28.6078 177.4355 72 G 4.2037 7.6857 114.8762 45.8130 0.0000 177.1659 73 R 4.1569 7.2529 117.0939 55.3100 30.8978 175.8472 74 H 5.0605 8.4787 109.9668 54.2776 29.6315 173.4331 75 L 5.0391 8.0745 127.8431 52.3776 43.1818 176.9213 *77 K 4.1328 8.4023 125.7470 57.0689 33.2304 175.6150 78 Y 3.1821 7.5886 125.3336 61.3481 38.7726 179.1796 79 D 4.2190 7.4520 117.5815 56.8894 41.4756 178.3012 80 D 4.6440 8.3112 118.3984 55.7657 41.7187 178.1998 81 F 3.9256 8.1357 120.6671 61.7767 39.0971 176.3375 82 Y 3.8696 8.2519 118.8571 60.0051 38.6310 177.5076 83 I 4.0170 7.0538 118.6566 63.0779 38.5487 177.7602 84 V 3.3758 7.6758 118.3457 64.4694 31.7112 177.3865 *86 G 3.5935 7.9488 106.8939 45.5213 0.0000 175.2840 87 E 3.9913 7.9396 119.1579 58.2579 29.5831 178.8410 88 K 3.6267 7.6504 118.9638 59.2767 32.1372 179.0291 89 I 4.2031 7.4988 119.3506 64.4206 37.0331 178.0210 90 L 3.9707 7.3132 118.3955 58.0286 41.6651 179.6992 91 K 4.0047 7.9476 116.2473 57.5772 32.2190 177.4610 92 R 3.9235 7.6187 120.6065 56.1276 30.2031 175.8879 93 D 4.4720 8.7420 124.8292 53.5292 42.1141 175.0548 94 P 4.0535 0.0000 0.0000 65.6036 31.3807 178.2745 95 L 3.9601 8.3324 120.6105 58.0999 42.1533 178.3136 96 D 4.3791 8.2864 117.8194 57.0713 41.0761 177.9861 97 E 3.9240 7.7854 119.7523 59.2058 29.6339 178.5735 98 I 3.8532 7.6255 119.3304 64.6581 36.8534 178.2330 99 K 3.9215 8.1544 119.0472 60.1051 31.4493 179.4257 100 R 4.0177 8.0582 117.4825 59.0630 29.9776 178.9053 101 A 4.1384 8.2516 120.7160 55.0959 18.4356 178.9148 102 F 3.2184 8.6490 119.4941 61.8446 39.0708 177.2195 103 Q 4.0444 7.8095 115.7981 59.4674 28.6940 179.4007 104 L 4.0563 7.4037 117.4022 57.5592 41.6437 179.3020 105 F 4.0031 7.6169 116.6700 59.9941 40.4144 176.6804 106 D 4.6310 7.6435 118.6947 52.5819 37.2992 176.0173 107 D 4.2452 7.6956 123.7060 57.6264 41.4142 178.6002 108 D 4.4560 7.8330 114.0369 53.2429 39.9718 175.5637 109 H 4.2514 7.7669 116.3438 57.5274 26.3884 175.7518 110 T 4.1599 8.3212 109.4578 62.1962 69.4238 175.4724 111 G 4.2171 9.9421 110.9707 44.9152 0.0000 173.5569 112 K 4.9938 7.2969 116.3215 54.6042 36.6079 176.3116 113 I 4.0807 9.0825 125.7856 61.1844 38.0462 176.2971 114 S 4.6690 8.6989 122.9211 57.1510 65.1460 175.1574 115 I 3.7376 8.3079 118.4110 63.7149 37.6256 177.3959 116 K 3.8881 8.0257 120.2738 60.1470 32.1015 177.4757 117 N 4.1322 8.3210 115.8767 56.9126 38.3392 176.5414 118 L 4.1219 8.6392 121.4315 58.6507 42.1841 179.8137 119 R 3.8753 8.3279 118.6940 59.2180 29.9866 178.3576 120 R 3.8240 7.9326 118.4850 59.4826 30.1215 178.3371 121 V 3.4395 7.7519 117.7024 66.2656 31.3775 177.9397 122 A 4.0556 8.2545 120.2847 54.7123 18.0681 179.5142 123 K 3.9332 8.3984 118.9192 59.4521 32.0944 178.6074 124 E 3.9701 8.2744 119.1624 58.7824 29.4989 177.7583 125 L 4.5293 7.8217 116.8632 53.6998 41.8752 177.0891 126 G 3.9566 8.0681 106.1043 46.1537 0.0000 174.3634 127 E 4.1470 7.8204 118.5301 55.9390 30.0247 176.6136 128 T 4.5187 8.3461 111.8303 59.9241 70.0436 173.4314 129 L 4.8709 8.2028 125.8962 52.3154 45.0355 176.5864 130 T 3.9369 8.2956 117.3886 62.4955 67.9332 174.7248 131 D 4.4450 8.7712 127.3862 57.4507 40.8213 178.6855 132 E 3.9537 8.2970 118.8058 59.6090 29.1654 179.0974 133 E 4.0728 7.9612 117.6521 59.0451 29.7167 178.7736 134 L 4.1661 7.8470 117.7468 57.9153 42.0071 179.0498 135 R 4.0815 8.4095 118.6766 59.1169 29.7737 178.4146 136 A 3.9808 7.7703 117.6980 53.3243 18.6066 178.9555 *138 I 4.1258 7.6833 122.7904 62.7484 38.9725 177.7538 139 E 3.9287 8.5917 121.3086 59.1894 29.5255 178.5262 140 E 3.4757 7.8410 118.1092 58.0531 29.6483 176.9245 141 F 4.8124 7.3979 113.9663 57.0802 41.0964 175.7983 142 D 4.8912 8.0274 122.6335 53.6080 38.8616 176.5360 143 L 4.0793 7.8449 121.9769 57.2846 42.3371 178.2051 144 D 4.4669 8.9544 116.4602 53.3178 39.5973 177.3998 145 G 3.9191 8.1639 108.3626 46.1793 0.0000 173.5916 146 D 4.6261 8.1634 118.3208 52.8677 39.3767 177.4600 147 G 3.9369 10.1320 106.3457 46.4564 0.0000 173.3284 148 E 4.8702 8.1651 117.0754 54.4072 33.9320 175.0481 149 I 5.3882 8.6094 121.9065 59.4878 39.2706 175.8802 150 N 4.6745 8.8971 125.5425 51.8392 39.7272 174.1348 151 E 2.8144 8.8101 117.4544 59.2008 29.3459 178.3110 152 N 4.1933 8.0368 115.5707 56.8461 38.8169 177.1878 153 E 4.0353 9.0441 120.1423 59.1519 29.5474 179.1290 154 F 3.9749 8.5674 120.7387 61.4622 39.5766 176.8000 155 I 3.5862 8.0457 118.6106 64.9041 36.7204 177.8357 156 A 4.0048 7.7375 119.8802 55.1157 18.1965 179.4800 157 I 3.3892 7.2623 117.9393 64.0863 37.1969 177.4400 158 C 4.2634 7.2671 114.1325 59.8686 28.3242 175.3078 159 T 4.0308 7.4265 118.3158 66.2517 68.1902 173.1123 160 D 4.5976 7.4004 116.4734 53.9471 45.6166 175.4372 161 S 4.6509 7.5192 120.2037 57.9374 64.6254 173.3200 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 13 L 8.17 4.38 0.00 1.62 1.62 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.43 4.69 0.00 2.93 2.47 0.00 0.00 5.99 6.76 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 15 S 8.96 4.12 0.00 3.86 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 16 E 8.57 3.80 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 17 L 8.23 4.25 0.00 1.66 1.55 0.70 0.90 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 18 L 8.87 4.26 0.00 1.76 1.59 0.92 1.26 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 19 E 8.94 4.13 0.00 1.98 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 2.42 2.37 0.00 20 E 8.19 4.08 0.00 2.07 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 2.41 2.47 0.00 21 Q 8.47 4.24 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 22 K 8.09 4.01 0.00 1.89 2.04 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.74 1.62 7.81 23 Q 7.98 4.14 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 24 E 7.88 3.97 0.00 2.32 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 2.40 2.42 0.00 25 I 7.96 3.96 2.23 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 1.18 0.00 0.00 26 Y 8.76 4.25 0.00 3.29 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 27 E 9.07 3.96 0.00 2.30 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 2.54 2.87 0.00 28 A 8.31 3.79 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 29 F 8.69 3.60 0.00 3.06 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 30 S 8.08 3.83 0.00 2.97 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 31 L 7.35 3.99 0.00 1.54 0.84 0.47 0.38 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 32 F 7.07 5.00 0.00 2.84 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 33 D 7.44 4.17 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 N 8.43 4.61 0.00 2.90 2.98 0.00 0.00 6.19 8.04 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 36 N 7.79 4.45 0.00 2.95 3.09 0.00 0.00 6.97 7.94 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 37 D 8.38 4.64 0.00 3.06 2.89 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 38 G 9.81 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.58 5.32 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.70 5.42 0.00 1.67 1.47 0.57 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.85 4.82 0.00 3.06 2.89 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 42 Y 8.62 4.16 0.00 3.06 2.93 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 43 H 8.31 3.88 0.00 3.36 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.08 3.95 0.00 2.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 45 L 7.75 4.18 0.00 1.88 1.74 1.10 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.68 3.68 0.00 1.26 1.51 0.00 1.77 0.00 0.00 1.42 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.25 7.81 47 V 7.04 3.57 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 0.45 0.00 0.00 0.10 0.00 0.00 48 A 7.04 4.73 1.51 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 *50 K 8.27 4.09 0.00 1.92 1.91 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 51 A 8.35 4.20 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.68 4.45 0.00 1.86 1.87 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.50 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 54 F 7.91 5.01 0.00 3.06 2.90 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 0.00 0.00 0.00 55 E 8.45 3.85 0.00 1.94 1.95 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 2.32 2.37 0.00 56 L 8.14 4.76 0.00 1.69 1.60 0.92 1.21 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 57 P 0.00 4.46 0.00 2.19 1.99 0.00 3.65 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 2.39 2.16 0.00 58 K 8.85 4.07 0.00 1.91 1.88 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.82 7.81 59 R 8.09 3.88 0.00 1.88 2.02 0.00 3.36 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 1.75 1.73 0.00 60 E 8.06 4.10 0.00 2.10 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 2.36 2.38 0.00 61 I 7.85 3.85 2.21 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 1.67 0.93 0.00 0.00 62 L 8.02 4.08 0.00 1.80 1.72 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.48 4.46 0.00 2.82 2.80 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 64 L 7.48 4.10 0.00 1.94 1.77 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.66 4.00 2.00 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 1.86 0.93 1.07 0.00 0.00 66 D 8.27 4.38 0.00 2.93 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 67 E 8.09 3.60 0.00 2.04 2.42 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 1.93 2.16 0.00 68 Y 7.71 4.58 0.00 3.08 3.08 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 69 D 8.82 4.79 0.00 2.75 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 70 S 8.35 4.46 0.00 3.92 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 71 E 7.95 4.44 0.00 2.14 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 2.39 2.33 0.00 72 G 7.69 4.20 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 0.00 0.00 0.00 73 R 7.25 4.16 0.00 1.92 1.98 0.00 2.89 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 74 H 8.48 5.06 0.00 3.13 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.07 5.04 0.00 1.77 1.56 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *77 K 8.40 4.13 0.00 1.80 1.73 0.00 1.39 0.00 0.00 0.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.18 7.81 78 Y 7.59 3.18 0.00 1.56 2.53 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 0.00 79 D 7.45 4.22 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 80 D 8.31 4.64 0.00 2.61 2.43 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 0.00 81 F 8.14 3.93 0.00 3.17 3.13 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 82 Y 8.25 3.87 0.00 1.89 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 83 I 7.05 4.02 1.83 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 1.34 0.67 0.89 0.00 0.00 84 V 7.68 3.38 1.76 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 0.83 0.00 0.00 0.50 0.00 0.00 *86 G 7.95 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 87 E 7.94 3.99 0.00 2.15 2.12 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 2.29 2.23 0.00 88 K 7.65 3.63 0.00 1.33 0.74 0.00 1.06 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.05 0.75 7.81 89 I 7.50 4.20 2.02 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 1.91 0.91 0.95 0.00 0.00 90 L 7.31 3.97 0.00 1.53 1.73 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.95 4.00 0.00 1.88 1.90 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.72 1.57 7.81 92 R 7.62 3.92 0.00 1.89 2.06 0.00 3.15 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 93 D 8.74 4.47 0.00 2.80 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 94 P 0.00 4.05 0.00 2.30 2.30 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 95 L 8.33 3.96 0.00 1.84 1.70 0.92 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 96 D 8.29 4.38 0.00 3.02 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 97 E 7.79 3.92 0.00 2.07 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 2.33 2.37 0.00 98 I 7.63 3.85 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 1.12 0.00 0.00 99 K 8.15 3.92 0.00 2.09 1.93 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.53 7.81 100 R 8.06 4.02 0.00 2.13 2.00 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 101 A 8.25 4.14 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.65 3.22 0.00 2.83 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 0.00 103 Q 7.81 4.04 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.82 2.64 0.00 104 L 7.40 4.06 0.00 1.62 1.53 0.86 0.80 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 0.00 105 F 7.62 4.00 0.00 2.65 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 0.00 106 D 7.64 4.63 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.70 4.25 0.00 2.61 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 0.00 108 D 7.83 4.46 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 7.77 4.25 0.00 3.33 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.32 4.16 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 1.32 0.00 0.00 111 G 9.94 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.30 4.99 0.00 1.89 1.83 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 113 I 9.08 4.08 1.75 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.14 0.83 0.00 0.00 114 S 8.70 4.67 0.00 3.94 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 0.00 115 I 8.31 3.74 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.92 0.00 0.00 116 K 8.03 3.89 0.00 1.86 1.79 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.53 7.81 117 N 8.32 4.13 0.00 3.05 2.90 0.00 0.00 6.68 6.33 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 0.00 118 L 8.64 4.12 0.00 1.81 1.74 1.07 1.09 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 0.00 119 R 8.33 3.88 0.00 2.07 2.08 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 120 R 7.93 3.82 0.00 2.03 2.04 0.00 3.53 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 121 V 7.75 3.44 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 0.77 0.00 0.00 0.46 0.00 0.00 122 A 8.25 4.06 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 0.00 123 K 8.40 3.93 0.00 1.93 1.90 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 124 E 8.27 3.97 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 125 L 7.82 4.53 0.00 1.66 1.66 0.91 0.77 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 0.00 126 G 8.07 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 0.00 0.00 0.00 0.00 127 E 7.82 4.15 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 128 T 8.35 4.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 129 L 8.20 4.87 0.00 1.63 1.59 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.30 3.94 4.36 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 1.29 0.00 0.00 131 D 8.77 4.44 0.00 2.81 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 0.00 132 E 8.30 3.95 0.00 2.06 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 2.41 2.48 0.00 133 E 7.96 4.07 0.00 2.19 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 2.36 2.36 0.00 134 L 7.85 4.17 0.00 1.64 1.77 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.41 4.08 0.00 1.92 2.11 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 136 A 7.77 3.98 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 *138 I 7.68 4.13 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.98 0.00 0.00 139 E 8.59 3.93 0.00 2.06 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 2.30 2.39 0.00 140 E 7.84 3.48 0.00 1.68 1.56 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 1.83 1.47 0.00 141 F 7.40 4.81 0.00 2.90 3.01 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 0.00 142 D 8.03 4.89 0.00 2.92 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 0.00 143 L 7.84 4.08 0.00 1.71 1.74 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.95 4.47 0.00 2.73 2.80 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 0.00 145 G 8.16 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 0.00 146 D 8.16 4.63 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.13 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.17 4.87 0.00 1.88 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 0.00 2.24 2.42 0.00 149 I 8.61 5.39 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.59 1.09 0.00 0.00 150 N 8.90 4.67 0.00 2.74 2.92 0.00 0.00 6.19 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 0.00 151 E 8.81 2.81 0.00 1.28 1.56 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 2.09 1.68 0.00 152 N 8.04 4.19 0.00 2.82 2.87 0.00 0.00 6.90 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 0.00 153 E 9.04 4.04 0.00 2.23 2.21 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 2.38 2.59 0.00 154 F 8.57 3.97 0.00 3.38 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 0.00 155 I 8.05 3.59 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 0.89 0.00 0.00 156 A 7.74 4.00 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 0.00 157 I 7.26 3.39 1.45 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.16 0.27 0.00 0.00 158 C 7.27 4.26 0.00 2.73 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 0.00 159 T 7.43 4.03 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 1.19 0.00 0.00 160 D 7.40 4.60 0.00 2.69 2.69 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 0.00 0.00 0.00 0.00 161 S 7.52 4.65 0.00 3.91 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.