NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 N 4.9248 8.2676 118.3560 52.8327 41.0367 172.8300 37 Q 5.4130 8.5734 116.1870 52.2782 32.3310 172.5093 38 L 4.5006 8.1957 117.1716 55.2915 43.8899 174.1719 39 S 5.0234 8.7208 116.0826 57.1868 63.9263 172.3233 40 L 5.0182 8.4961 129.2217 53.4280 43.6290 175.1101 41 S 4.7645 9.0121 120.9631 56.5396 65.2780 172.5544 42 S 5.2837 8.5784 120.6601 56.5766 65.3834 173.5059 43 S 4.4523 8.5969 118.5310 58.9951 63.8131 174.8718 44 D 4.7494 8.2018 119.7413 53.3771 42.5148 175.1390 45 E 4.0820 8.2978 122.2387 58.2116 29.8479 177.4848 46 Y 4.5487 7.4403 115.0786 57.5381 38.9409 176.6674 47 K 4.2333 8.3642 122.0395 56.3728 34.6564 177.1129 48 E 3.9098 8.8964 122.7734 59.7818 29.6161 179.0991 49 L 4.0085 7.9758 119.4703 58.6105 41.7386 178.8925 50 T 3.9663 7.8301 114.7921 65.9782 68.3884 176.3495 51 R 4.0598 7.7622 120.6055 58.8909 30.2689 178.3331 52 L 4.0129 7.9923 118.9681 57.5032 41.5774 179.6141 53 V 3.5024 7.6888 118.0877 65.8425 31.5148 177.8306 54 R 3.8357 7.5214 117.3175 59.5420 29.8742 177.8516 55 E 3.9030 8.1055 118.7917 59.6217 29.1192 179.0849 56 R 4.0427 7.8628 117.0389 58.7538 30.0221 178.9201 57 L 4.0663 7.9125 119.1648 57.2782 41.5359 179.3245 58 R 3.8995 7.8242 118.5134 59.2494 29.9342 178.4058 59 L 4.1827 7.8553 117.1913 56.6183 41.5164 178.0574 60 N 4.8451 7.4926 114.5790 52.0365 40.3135 174.4685 61 N 4.0490 7.8447 115.2295 54.7890 36.7431 175.3271 62 V 4.5260 7.9233 116.5765 61.1119 33.9569 175.6994 63 K 4.3049 8.5873 127.8640 55.9501 33.8011 176.7766 64 I 5.0812 8.4875 125.3903 59.1467 36.5687 175.9807 65 V 3.7298 8.0943 126.3226 61.3386 32.3255 177.1533 66 D 4.4350 8.6540 122.0170 55.6379 38.9832 176.5725 67 A 3.9043 8.1604 127.9738 51.7422 16.4458 176.1146 68 A 4.2004 7.5617 124.9132 52.4788 19.6084 177.5264 69 N 4.5152 8.2955 117.1688 56.2688 39.3704 176.2872 70 D 4.5967 7.9768 116.8654 54.4788 39.6622 176.2877 71 V 4.2360 7.2298 120.2722 59.4271 33.0539 174.1611 72 P 4.6669 0.0000 0.0000 63.2168 32.6607 175.2724 73 V 4.8730 8.7795 115.1051 59.5171 35.2890 174.4133 74 L 5.0111 8.9520 126.8857 53.5177 44.2115 174.8927 75 R 4.9729 9.2472 128.3752 54.6316 32.4553 174.9299 76 L 4.7030 9.3648 128.4177 54.3065 41.8244 177.7586 77 I 3.9917 8.6211 125.5120 63.6809 37.8515 176.4763 78 T 4.6094 7.9517 109.3519 61.1730 72.3972 172.2038 79 D 5.1020 8.6275 122.6272 52.5891 41.9329 174.3621 80 S 5.0163 9.0628 117.9075 56.1536 66.8643 172.3947 81 L 5.5006 8.5584 120.8528 53.3362 44.9629 174.9155 82 E 4.8776 9.3106 125.6172 54.4049 33.2505 174.2242 83 R 5.1948 8.7674 125.9840 54.7034 32.7398 174.0662 84 S 5.0659 9.3040 120.9131 56.3901 67.1934 172.9297 85 T 4.4029 8.4640 110.9107 61.5563 68.9198 174.1365 86 L 4.4233 9.1191 129.2500 57.0223 43.1880 176.4768 87 S 4.6374 7.4410 110.6832 57.3140 66.1313 173.4048 88 L 4.8194 8.1946 120.0137 52.9445 44.9107 176.0036 89 Y 4.7649 8.0287 117.9458 56.6816 38.7456 175.3660 90 P 4.3241 0.0000 0.0000 65.7791 31.7388 178.3356 91 T 3.9824 7.9568 114.4238 67.3795 68.4809 174.6591 92 G 3.7650 7.6243 108.0047 45.2254 0.0000 173.6132 93 N 4.7034 8.0690 118.4767 51.0489 38.8436 174.5821 94 V 3.3532 8.1737 119.2184 63.9741 31.9212 174.0999 95 A 3.7751 8.2226 126.8826 52.7101 20.9336 175.5011 96 E 4.7451 7.1961 113.6261 54.6665 32.3472 174.8746 97 Y 4.9726 8.1978 121.9469 56.2768 41.2581 174.2380 98 E 5.2004 8.9208 121.5295 53.4235 32.8366 174.2643 99 L 5.3372 9.4783 127.1282 53.1311 44.9989 175.7018 100 I 4.8549 8.9113 123.4721 59.7794 40.9470 173.6155 101 Y 5.1544 8.8161 129.6679 56.6061 40.2754 174.0549 102 F 5.3830 8.9289 125.7290 55.7540 42.0446 175.1049 103 V 4.9563 8.7268 121.4900 60.2117 35.2932 173.3400 104 E 5.3520 9.7125 124.3869 54.6650 33.2654 174.3556 105 F 5.6456 8.9712 119.9561 56.0082 42.5235 172.5615 106 A 5.3592 9.5088 119.8240 50.4679 22.7365 175.5400 107 V 4.9311 9.0147 121.0458 59.7729 34.6010 174.6590 108 A 4.7501 8.8769 125.2358 50.2412 21.5863 174.9801 109 L 4.7268 8.4257 121.9594 53.4196 44.0196 175.0393 110 P 4.2494 0.0000 0.0000 65.7590 31.0588 175.8837 111 G 4.0056 8.7416 110.9232 45.1049 0.0000 172.6855 112 K 4.6177 7.7681 117.7389 55.0663 35.6066 175.4539 113 E 4.3176 8.5348 118.1898 55.7589 30.4998 176.2150 114 A 4.3781 8.6579 123.0981 53.0558 19.4133 176.7665 115 Q 4.7115 9.6361 119.7994 53.3052 32.2871 173.2249 116 P 4.9306 0.0000 0.0000 62.5877 32.5524 175.5887 117 F 4.5439 9.1765 121.4983 55.4092 42.7469 174.0714 118 K 5.1742 8.5820 120.4838 54.7647 35.8881 175.6262 119 I 4.7960 8.9992 123.1729 59.6128 41.4277 173.9761 120 E 4.8833 8.8849 126.3843 54.4393 32.4333 174.4295 121 I 4.5113 8.6743 127.9169 59.6180 40.0148 174.5845 122 R 5.0189 8.6009 126.1868 54.4779 32.1192 175.8277 123 R 4.6342 9.1390 123.8735 54.8911 33.1240 173.3563 124 D 5.6513 8.7513 125.7148 53.1835 44.0121 174.7365 125 Y 4.8977 8.1569 117.9461 55.8958 41.7593 173.6274 126 L 4.6145 8.6158 121.4832 54.4954 42.7714 176.1199 127 D 4.8769 9.1542 125.5333 53.9450 41.5100 175.9530 128 D 4.7270 8.9180 125.8871 52.3928 40.3382 174.7075 129 P 4.4204 0.0000 0.0000 64.2908 31.7425 176.4729 130 R 4.0897 7.3633 118.1527 56.3834 30.5254 176.4361 131 T 4.2115 8.1935 108.5795 61.4323 70.9085 174.8988 132 A 4.0169 8.5903 123.2992 55.5398 18.2667 179.8104 133 L 3.8968 7.9008 117.9067 58.2417 42.1758 178.8737 134 A 4.1143 7.8495 120.0683 54.5481 18.0138 179.7656 135 K 4.0213 7.7601 116.9498 59.5183 32.2601 179.3671 136 S 4.2352 7.8058 114.4632 61.6376 62.8479 176.4691 137 R 4.0862 7.7436 119.5658 59.1999 30.0758 178.6502 138 E 3.9477 7.6460 115.2203 57.2702 29.2354 177.6168 *140 E 4.1943 8.0975 120.3105 55.9007 31.5746 177.8493 141 L 3.9083 7.8405 117.9711 57.8335 41.8018 179.1494 142 L 4.2919 7.6214 119.6928 57.0726 41.3074 179.5696 143 V 3.4046 7.5105 116.9790 65.9696 31.7057 177.7098 144 K 4.0027 7.8558 117.9896 59.2040 31.8000 178.4712 145 E 4.1667 7.6435 117.8814 56.8394 29.2303 178.9893 *147 R 4.3427 8.0836 120.1943 56.4231 32.4183 178.2798 148 I 3.6522 7.4623 118.7303 64.5672 37.1046 178.2744 149 Q 3.9750 8.1291 118.5951 58.9459 28.4410 179.1174 150 A 3.9926 8.0381 120.8090 55.1407 18.4761 179.0532 151 A 3.8602 8.3541 119.6644 55.6556 18.3391 179.6555 152 D 4.2532 8.2436 117.1846 57.4022 40.8184 178.8178 153 R 3.8702 8.0022 119.1740 59.5726 29.8005 178.1909 154 I 3.1948 7.4428 118.2089 64.3992 37.1280 177.9570 155 L 4.0229 7.1787 118.0875 57.9348 41.9070 179.0945 156 Q 4.1386 8.3167 119.7714 59.1051 28.7638 178.7250 157 S 4.1038 8.5525 111.3587 59.0474 62.3146 175.3501 *159 A 4.6186 7.8838 124.5319 51.9243 20.2790 180.0718 160 S 4.2148 7.9123 111.3661 61.8528 62.9817 176.6308 161 T 4.1811 7.8283 112.3574 64.1929 68.8388 176.9269 162 E 4.0184 7.9941 121.8370 59.2408 29.5051 178.8652 163 V 4.0608 7.5411 115.9853 63.4689 31.8764 177.1145 164 N 4.5940 7.6206 116.5962 55.4263 38.9369 176.6226 165 L 4.2100 7.5584 120.1937 57.0854 42.2090 178.0559 166 E 4.2201 8.1421 115.7263 58.2247 29.3474 176.2269 167 H 4.4852 8.1089 122.1235 55.9219 29.4907 173.3354 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 36 N 8.27 4.92 0.00 2.78 2.86 0.00 0.00 5.61 6.13 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 37 Q 8.57 5.41 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 38 L 8.20 4.50 0.00 1.86 1.73 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.72 5.02 0.00 3.91 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 40 L 8.50 5.02 0.00 1.63 1.51 0.93 0.84 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 41 S 9.01 4.76 0.00 3.90 3.65 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 42 S 8.58 5.28 0.00 3.84 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.60 4.45 0.00 3.94 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 44 D 8.20 4.75 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 45 E 8.30 4.08 0.00 1.25 1.67 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 2.14 2.28 0.00 46 Y 7.44 4.55 0.00 3.10 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 47 K 8.36 4.23 0.00 1.99 2.25 0.00 1.39 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.64 7.81 48 E 8.90 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 2.35 2.43 0.00 49 L 7.98 4.01 0.00 1.85 1.73 0.93 0.88 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 50 T 7.83 3.97 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 1.16 0.00 0.00 51 R 7.76 4.06 0.00 2.06 2.05 0.00 3.11 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 1.60 1.66 0.00 52 L 7.99 4.01 0.00 1.86 1.68 0.90 0.75 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 53 V 7.69 3.50 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 0.92 0.00 0.00 0.90 0.00 0.00 54 R 7.52 3.84 0.00 2.18 2.04 0.00 3.17 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 55 E 8.11 3.90 0.00 2.25 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 2.29 2.35 0.00 56 R 7.86 4.04 0.00 1.99 1.93 0.00 3.23 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 57 L 7.91 4.07 0.00 1.85 1.68 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.82 3.90 0.00 1.87 2.10 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 59 L 7.86 4.18 0.00 1.66 1.71 0.91 1.07 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 60 N 7.49 4.85 0.00 2.75 2.78 0.00 0.00 7.17 7.88 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 61 N 7.84 4.05 0.00 2.82 2.82 0.00 0.00 6.57 7.83 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 62 V 7.92 4.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 63 K 8.59 4.30 0.00 1.83 1.69 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 I 8.49 5.08 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.90 0.93 0.00 0.00 65 V 8.09 3.73 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 0.70 0.00 0.00 0.93 0.00 0.00 66 D 8.65 4.44 0.00 2.67 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 67 A 8.16 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.56 4.20 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 69 N 8.30 4.52 0.00 2.73 2.76 0.00 0.00 6.63 8.49 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 70 D 7.98 4.60 0.00 2.82 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 71 V 7.23 4.24 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 0.78 0.00 0.00 0.93 0.00 0.00 72 P 0.00 4.67 0.00 2.14 2.23 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 73 V 8.78 4.87 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 0.78 0.00 0.00 0.95 0.00 0.00 74 L 8.95 5.01 0.00 1.71 1.51 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.25 4.97 0.00 1.86 1.82 0.00 3.34 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 76 L 9.36 4.70 0.00 1.80 1.64 0.88 0.56 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 I 8.62 3.99 2.05 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 1.44 0.70 0.93 0.00 0.00 78 T 7.95 4.61 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 79 D 8.63 5.10 0.00 2.48 2.64 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 80 S 9.06 5.02 0.00 3.97 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 L 8.56 5.50 0.00 1.81 1.65 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.31 4.88 0.00 2.42 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 0.00 2.30 2.35 0.00 83 R 8.77 5.19 0.00 1.81 1.73 0.00 3.27 0.00 0.00 2.55 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 84 S 9.30 5.07 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 85 T 8.46 4.40 4.12 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 0.00 0.00 1.28 0.00 0.00 86 L 9.12 4.42 0.00 1.51 1.65 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.44 4.64 0.00 3.80 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 88 L 8.19 4.82 0.00 1.55 1.53 0.85 0.86 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 89 Y 8.03 4.76 0.00 3.18 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 90 P 0.00 4.32 0.00 2.04 2.15 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 91 T 7.96 3.98 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 1.31 0.00 0.00 92 G 7.62 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 0.00 0.00 0.00 93 N 8.07 4.70 0.00 2.95 2.98 0.00 0.00 5.86 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 94 V 8.17 3.35 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 -0.50 0.00 0.00 0.81 0.00 0.00 95 A 8.22 3.78 0.26 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 96 E 7.20 4.75 0.00 1.79 1.65 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 2.08 2.07 0.00 97 Y 8.20 4.97 0.00 1.47 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 98 E 8.92 5.20 0.00 2.02 1.77 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 2.20 2.25 0.00 99 L 9.48 5.34 0.00 1.82 1.60 0.97 0.89 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 0.00 100 I 8.91 4.85 1.67 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 1.00 0.99 -0.08 0.00 0.00 101 Y 8.82 5.15 0.00 2.98 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 0.00 102 F 8.93 5.38 0.00 2.93 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 0.00 103 V 8.73 4.96 1.79 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 0.69 0.00 0.00 1.03 0.00 0.00 104 E 9.71 5.35 0.00 1.99 1.81 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 2.20 2.41 0.00 105 F 8.97 5.65 0.00 3.29 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 9.51 5.36 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 0.00 107 V 9.01 4.93 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 0.79 0.00 0.00 0.98 0.00 0.00 108 A 8.88 4.75 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 0.00 109 L 8.43 4.73 0.00 1.68 1.60 0.97 1.01 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 0.00 110 P 0.00 4.25 0.00 2.18 2.27 0.00 3.75 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 1.99 1.97 0.00 111 G 8.74 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 0.00 112 K 7.77 4.62 0.00 1.88 1.76 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.41 7.81 113 E 8.53 4.32 0.00 2.00 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 2.28 2.26 0.00 114 A 8.66 4.38 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 0.00 115 Q 9.64 4.71 0.00 2.28 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 116 P 0.00 4.93 0.00 1.96 1.98 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 117 F 9.18 4.54 0.00 1.51 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 0.00 0.00 0.00 118 K 8.58 5.17 0.00 1.58 1.71 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 119 I 9.00 4.80 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 0.97 0.00 0.00 120 E 8.88 4.88 0.00 1.93 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 0.00 1.98 1.75 0.00 121 I 8.67 4.51 1.97 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 1.27 0.62 0.94 0.00 0.00 122 R 8.60 5.02 0.00 1.66 1.83 0.00 3.22 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 123 R 9.14 4.63 0.00 1.84 1.78 0.00 3.07 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 124 D 8.75 5.65 0.00 2.67 2.52 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 0.00 125 Y 8.16 4.90 0.00 3.10 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 0.00 126 L 8.62 4.61 0.00 1.64 1.71 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 127 D 9.15 4.88 0.00 2.43 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 0.00 128 D 8.92 4.73 0.00 2.87 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 0.00 129 P 0.00 4.42 0.00 2.23 2.26 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 130 R 7.36 4.09 0.00 2.03 2.00 0.00 3.19 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 131 T 8.19 4.21 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 0.00 132 A 8.59 4.02 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 0.00 133 L 7.90 3.90 0.00 1.77 1.68 0.92 1.08 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 0.00 134 A 7.85 4.11 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 0.00 135 K 7.76 4.02 0.00 2.01 1.94 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.41 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.69 1.79 7.81 136 S 7.81 4.24 0.00 4.00 3.90 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 0.00 137 R 7.74 4.09 0.00 1.93 1.98 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 138 E 7.65 3.95 0.00 2.01 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 1.96 2.14 0.00 *140 E 8.10 4.19 0.00 2.22 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 2.23 2.35 0.00 141 L 7.84 3.91 0.00 1.78 1.64 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.62 4.29 0.00 1.56 1.61 0.87 0.47 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 0.00 143 V 7.51 3.40 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 0.63 0.00 0.00 0.85 0.00 0.00 144 K 7.86 4.00 0.00 1.94 1.79 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.67 7.81 145 E 7.64 4.17 0.00 2.11 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 2.28 2.37 0.00 *147 R 8.08 4.34 0.00 1.89 1.95 0.00 3.01 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.31 0.00 148 I 7.46 3.65 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.82 0.89 0.00 0.00 149 Q 8.13 3.97 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 150 A 8.04 3.99 1.59 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 0.00 151 A 8.35 3.86 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 0.00 152 D 8.24 4.25 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 153 R 8.00 3.87 0.00 2.07 2.08 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 154 I 7.44 3.19 1.66 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.53 0.09 0.00 0.00 155 L 7.18 4.02 0.00 1.63 1.67 0.87 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 0.00 156 Q 8.32 4.14 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 157 S 8.55 4.10 0.00 4.11 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 *159 A 7.88 4.62 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 0.00 160 S 7.91 4.21 0.00 4.12 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 0.00 161 T 7.83 4.18 4.38 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 1.36 0.00 0.00 162 E 7.99 4.02 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 163 V 7.54 4.06 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 0.85 0.00 0.00 1.01 0.00 0.00 164 N 7.62 4.59 0.00 3.07 2.89 0.00 0.00 6.52 6.62 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 0.00 165 L 7.56 4.21 0.00 1.61 1.73 0.95 1.03 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 0.00 166 E 8.14 4.22 0.00 2.16 1.92 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 2.32 2.60 0.00 167 H 8.11 4.49 0.00 3.09 3.18 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.