NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 G 3.9436 8.1976 109.7372 44.6844 0.0000 174.4839 -4 P 4.3522 0.0000 0.0000 63.3562 31.1290 175.2695 -3 L 4.4475 7.9277 118.1600 54.0602 44.5330 179.8431 -2 G 3.8709 9.1763 106.9159 45.9219 0.0000 175.5730 -1 S 4.5323 8.1179 105.7716 57.6010 64.3854 173.4917 *21 G 4.3398 7.4883 111.7534 45.9406 0.0000 172.1157 22 G 3.7268 8.8765 104.9805 48.0923 0.0000 175.8455 23 G 3.6538 8.0389 107.9600 47.4616 0.0000 175.8167 24 T 3.8812 7.8325 117.4862 66.7575 68.4003 176.6370 25 I 3.7359 7.5977 119.9237 64.3017 37.2246 178.1229 26 A 4.1372 8.0720 121.8004 55.2847 17.9669 179.3872 27 M 4.0260 7.9500 116.0298 58.6546 32.4167 178.0872 28 L 4.2011 7.9270 117.6684 56.4201 41.9780 177.8161 29 N 4.8438 7.6693 114.4510 52.2106 39.9177 174.4272 30 E 4.7290 7.4081 118.6966 54.2552 33.3757 175.0551 31 I 4.1025 8.3573 123.4324 60.6537 37.7795 175.3906 32 S 4.8979 8.8044 119.7160 55.6000 66.2069 175.0293 33 S 4.2440 8.6860 115.5014 61.9784 62.1490 176.6239 34 D 4.4204 7.8007 120.3363 57.8489 40.3541 178.8782 35 T 3.9048 7.6210 114.8179 66.0838 68.7265 175.5006 36 L 4.5328 7.8172 118.6129 54.7757 42.2392 178.0714 37 E 4.1425 7.9458 120.9036 59.5223 29.5834 178.6799 38 Q 4.0645 8.0724 117.6086 58.7950 28.9100 178.2603 39 L 3.9435 7.9077 119.6648 57.8493 41.6187 178.7596 40 Y 4.0970 8.4376 119.8968 60.8644 38.7453 178.2354 41 S 3.9741 8.5215 116.4931 61.3079 62.8142 176.3235 42 L 3.8583 8.0250 122.7577 58.2025 41.7929 178.9098 43 A 3.8100 7.5792 120.4775 54.9309 18.1358 179.2357 44 F 4.1849 7.9808 119.1490 61.6737 39.4159 177.1189 45 N 4.2683 8.4475 116.0758 56.3673 37.8063 177.4174 46 Q 3.8920 8.2711 119.6746 59.0318 28.7931 178.2044 47 Y 4.1013 8.2045 120.5790 60.9876 38.6533 178.3055 48 Q 3.9001 7.8385 117.5183 58.7260 28.8462 178.1985 49 S 4.4950 7.6897 113.7823 57.5935 63.2914 171.0980 50 G 2.6239 7.0274 116.1757 45.0265 0.0000 172.7245 *52 Y 5.0415 8.1254 123.7468 57.7259 40.0691 178.0875 53 E 4.0753 8.3447 117.9100 59.5415 29.9282 178.0021 54 D 4.4426 8.1881 117.0371 57.2995 41.2854 177.5995 55 A 4.2704 8.0636 121.0713 54.9940 18.7769 179.4542 56 H 4.4382 8.4916 112.9827 57.0424 29.6424 177.1273 *58 V 3.8706 7.9664 118.4099 62.4410 33.0670 177.3726 59 F 4.2618 8.1579 118.6483 60.6012 38.7503 177.3221 60 Q 3.8289 8.5579 119.3146 59.2644 28.8373 178.3845 61 A 3.9736 7.8811 121.1137 55.0921 18.3472 179.4576 62 L 3.6308 7.7764 117.5098 58.0193 41.1888 179.4969 63 C 4.0304 8.1394 116.9039 62.6686 27.6872 176.4205 64 V 3.6200 7.3851 118.6968 65.9568 31.2005 177.8636 65 L 4.4661 7.8148 117.8904 56.2703 41.8240 176.4967 66 D 4.6647 8.7417 119.1182 52.9281 42.1255 174.1954 67 H 5.2973 8.5805 119.4243 55.1836 28.7435 175.6660 68 Y 4.6474 8.0496 115.9703 58.1174 38.7710 175.1883 69 D 4.5959 8.0376 121.7492 52.5777 40.9224 176.8459 70 S 4.4594 8.6633 123.6639 61.6669 62.9328 176.3108 71 R 4.0133 7.8879 121.3169 59.4324 29.7281 178.9514 72 F 4.7359 7.8194 117.0558 60.6432 38.8235 177.7941 73 F 4.1515 8.3898 117.0087 59.9079 38.7849 177.5084 74 L 4.4939 8.6828 120.6088 58.3203 41.9808 179.3314 75 G 2.2161 7.7025 105.4362 47.0339 0.0000 175.5073 76 L 3.9492 7.6037 122.8481 57.6635 42.0916 179.2580 77 G 2.8182 8.0825 105.6043 47.5211 0.0000 175.4456 78 A 4.3789 7.8806 125.0467 54.4954 18.3138 179.5649 79 C 4.3051 8.1636 115.1681 63.0701 28.1552 176.5964 80 R 3.8830 8.0123 119.7064 59.1347 29.6422 178.8166 81 Q 3.9326 8.4933 119.5450 59.3052 28.9214 178.3666 82 A 3.8398 7.9917 120.2727 54.5085 18.2125 178.4106 83 M 4.3418 7.2795 114.9102 54.5868 32.2364 176.7943 84 G 3.1574 7.4312 106.6213 46.5385 0.0000 175.9431 85 Q 4.1374 7.4618 121.8131 54.6518 26.8307 175.7453 86 Y 4.3526 7.5174 122.0202 60.8317 38.5127 177.0128 87 D 4.3422 8.0481 119.3869 57.4290 40.9317 178.6612 88 L 3.9166 7.8342 118.7716 57.5623 41.5797 179.2574 89 A 3.7760 8.0847 120.7975 55.1944 18.2769 179.7701 90 I 3.8828 7.7792 118.1307 64.7594 37.2532 178.2211 91 H 4.2613 8.0820 117.1222 59.1678 28.5033 177.7869 92 S 4.3103 7.8944 114.7029 61.6583 62.1140 175.8117 93 Y 4.5776 8.2690 119.9715 61.0650 37.5620 178.3925 94 S 4.1475 8.5274 115.5446 61.6030 63.2112 175.9576 95 Y 3.8645 8.0349 123.0966 60.0354 38.4737 177.9803 96 G 2.6617 8.0109 106.6462 47.5701 0.0000 175.4637 97 A 3.9194 7.3668 123.1436 54.6158 18.0737 179.8897 98 V 3.4596 6.8986 115.8859 66.3331 31.5811 177.8911 99 M 4.2734 7.0757 117.0956 56.8989 32.7268 176.3155 100 D 4.6090 7.7652 117.8753 52.8765 42.3985 175.5846 101 I 4.1781 7.6466 131.2857 59.4127 37.0366 176.5468 *103 E 4.0427 8.0142 121.1378 55.2192 30.0919 173.8885 104 P 4.3127 0.0000 0.0000 65.0941 31.3772 178.3424 105 R 3.8582 8.1473 118.4780 58.9484 29.8054 178.7447 106 F 4.3078 7.5138 117.3528 60.0921 38.9932 175.8679 107 P 4.3088 0.0000 0.0000 65.7088 31.0107 178.1223 108 F 3.9852 8.0528 120.3112 61.6119 39.3865 176.9277 109 H 4.0362 8.1967 115.8580 58.4993 28.2995 177.6892 110 A 4.0898 7.6942 122.4330 55.1096 18.2638 179.3302 111 A 3.8474 7.9574 119.2817 55.4122 18.1333 179.7166 112 E 3.6702 7.3693 115.7801 59.7690 29.7198 179.1539 113 C 4.0932 8.0741 116.6971 62.6719 28.1043 176.0844 114 L 3.9887 8.2869 121.0578 57.8097 40.9263 179.5936 115 L 3.9417 7.5219 118.0472 57.3677 41.7512 179.5417 116 Q 4.1593 7.2736 118.4798 55.4542 28.5722 177.1131 *118 G 3.8411 7.8573 105.5742 45.3671 0.0000 175.1030 119 E 4.4779 8.0290 122.4546 54.3562 27.2404 176.3773 120 L 3.9117 7.7753 122.9521 57.5751 42.2652 178.5016 121 A 3.9898 7.9139 120.1829 55.1637 18.4706 179.3777 122 E 3.8780 8.1315 116.3551 59.5090 29.6704 179.1845 123 A 3.9225 8.0772 120.8332 55.1015 18.3308 179.2994 124 E 3.6413 8.3470 117.8759 59.5066 29.7429 179.1154 125 S 4.4054 8.3801 115.4586 61.6125 62.8855 177.0129 126 G 3.5993 8.0195 108.0877 47.8553 0.0000 175.7533 127 L 4.0021 7.8791 121.7480 57.4662 41.5911 179.5893 128 F 4.3996 8.0630 117.8840 60.4802 38.8066 177.5408 129 L 3.9701 8.0072 119.3226 58.0399 41.8084 178.6936 130 A 3.9253 8.0868 120.7724 55.2477 17.7917 179.2733 131 Q 3.8773 8.3644 118.1951 59.2930 28.9070 178.1439 132 E 3.9600 7.9741 118.8621 59.5192 29.8016 178.5794 133 L 4.0976 7.8806 117.6111 56.8694 41.7205 178.5071 134 I 4.2758 7.1383 110.0349 59.0821 38.2994 175.4524 135 A 3.7339 6.9489 122.8905 54.1375 18.2892 174.6050 136 N 4.0822 8.6442 124.3876 52.7015 34.5520 171.8397 *138 P 4.4273 0.0000 0.0000 62.2992 33.5326 179.0270 139 E 3.3642 8.2404 118.5193 58.1525 29.5609 176.1842 140 F 4.6283 7.4316 117.8110 55.5534 39.2361 175.2184 *142 E 4.2100 8.4423 126.2081 55.8609 31.4509 177.7393 143 L 3.7332 7.8596 119.4776 58.0910 42.0612 178.5665 144 S 4.0228 8.5749 113.4842 61.7277 62.3463 176.3761 145 T 3.8685 7.7957 117.8121 66.6639 68.2578 176.7286 146 R 3.9465 7.8438 119.7078 59.1544 30.1139 179.1711 147 V 3.6776 7.9190 118.1759 66.3469 31.5411 178.2735 148 S 4.1356 8.0744 114.7833 61.4698 62.6263 176.6933 149 S 4.0712 7.9428 115.3452 61.7839 62.2337 176.1968 150 M 4.0800 8.4871 121.7900 58.3131 31.4234 178.8024 151 L 3.8535 7.7781 118.3671 57.5821 41.8277 178.8450 152 E 4.0464 8.0190 118.0580 59.1503 29.6849 178.2981 153 A 4.1859 7.8003 119.5141 55.2507 18.4937 179.8471 154 I 3.6282 7.2770 113.1547 62.1322 38.7756 177.1061 *156 L 4.0427 7.5780 120.6441 54.8038 41.8009 176.8718 *159 E 4.2787 7.9923 119.2264 55.9499 31.9958 175.9473 160 M 4.1490 7.8660 122.5428 55.9480 32.1701 175.5696 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 G 8.20 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 -4 P 0.00 4.35 0.00 2.28 2.18 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 -3 L 7.93 4.45 0.00 1.63 1.74 0.93 0.94 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 -2 G 9.18 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 8.12 4.53 0.00 3.97 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 *21 G 7.49 4.34 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 0.00 22 G 8.88 3.73 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 0.00 0.00 0.00 23 G 8.04 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 0.00 0.00 0.00 24 T 7.83 3.88 4.41 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 1.26 0.00 0.00 25 I 7.60 3.74 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 1.63 0.74 0.92 0.00 0.00 26 A 8.07 4.14 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 27 M 7.95 4.03 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 28 L 7.93 4.20 0.00 1.68 1.72 0.93 1.05 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 29 N 7.67 4.84 0.00 2.74 2.85 0.00 0.00 6.74 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 30 E 7.41 4.73 0.00 1.91 1.82 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 2.21 2.47 0.00 31 I 8.36 4.10 1.91 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 1.50 0.78 0.96 0.00 0.00 32 S 8.80 4.90 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.69 4.24 0.00 3.90 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 34 D 7.80 4.42 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.62 3.90 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 1.23 0.00 0.00 36 L 7.82 4.53 0.00 1.88 1.71 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.95 4.14 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 38 Q 8.07 4.06 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 39 L 7.91 3.94 0.00 1.82 1.62 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.44 4.10 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.52 3.97 0.00 4.01 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 42 L 8.02 3.86 0.00 1.78 1.77 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.58 3.81 0.19 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 44 F 7.98 4.18 0.00 2.79 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 45 N 8.45 4.27 0.00 2.92 2.84 0.00 0.00 7.09 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.27 3.89 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 47 Y 8.20 4.10 0.00 3.34 3.18 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 0.00 48 Q 7.84 3.90 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 49 S 7.69 4.49 0.00 3.85 3.77 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 50 G 7.03 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 0.00 0.00 0.00 *52 Y 8.13 5.04 0.00 3.10 3.04 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 53 E 8.34 4.08 0.00 1.97 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 2.33 2.38 0.00 54 D 8.19 4.44 0.00 2.63 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 55 A 8.06 4.27 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 0.00 0.00 0.00 0.00 0.00 56 H 8.49 4.44 0.00 3.45 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 V 7.97 3.87 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 0.74 0.00 0.00 0.91 0.00 0.00 59 F 8.16 4.26 0.00 3.15 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 60 Q 8.56 3.83 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 61 A 7.88 3.97 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 62 L 7.78 3.63 0.00 1.44 0.13 0.64 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.14 4.03 0.00 2.89 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 64 V 7.39 3.62 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 0.96 0.00 0.00 65 L 7.81 4.47 0.00 1.79 1.75 0.91 0.88 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 66 D 8.74 4.66 0.00 2.81 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 67 H 8.58 5.30 0.00 3.37 3.59 0.00 5.34 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.05 4.65 0.00 3.16 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 69 D 8.04 4.60 0.00 2.61 1.80 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 70 S 8.66 4.46 0.00 4.47 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 71 R 7.89 4.01 0.00 1.43 1.89 0.00 2.70 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 72 F 7.82 4.74 0.00 2.98 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 73 F 8.39 4.15 0.00 3.22 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.49 0.00 1.94 1.96 0.88 0.82 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 75 G 7.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.60 3.95 0.00 1.71 1.53 0.68 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.08 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 0.00 0.00 0.00 78 A 7.88 4.38 1.14 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 0.00 0.00 79 C 8.16 4.31 0.00 3.29 3.23 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 80 R 8.01 3.88 0.00 1.92 2.08 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 81 Q 8.49 3.93 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 82 A 7.99 3.84 0.41 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 83 M 7.28 4.34 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 84 G 7.43 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 0.00 0.00 0.00 85 Q 7.46 4.14 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 86 Y 7.52 4.35 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.05 4.34 0.00 2.67 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 88 L 7.83 3.92 0.00 1.64 1.70 0.91 0.76 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 89 A 8.08 3.78 1.43 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 0.00 0.00 90 I 7.78 3.88 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.83 1.00 0.00 0.00 91 H 8.08 4.26 0.00 3.39 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.89 4.31 0.00 3.85 3.78 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 93 Y 8.27 4.58 0.00 3.15 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 94 S 8.53 4.15 0.00 4.08 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 95 Y 8.03 3.86 0.00 3.02 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 96 G 8.01 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 0.00 0.00 0.00 97 A 7.37 3.92 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 98 V 6.90 3.46 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 0.67 0.00 0.00 0.83 0.00 0.00 99 M 7.08 4.27 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.03 0.00 100 D 7.77 4.61 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.65 4.18 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.90 0.00 0.00 *103 E 8.01 4.04 0.00 2.38 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 0.00 1.90 1.90 0.00 104 P 0.00 4.31 0.00 1.89 1.92 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.00 105 R 8.15 3.86 0.00 1.65 1.89 0.00 3.16 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 106 F 7.51 4.31 0.00 3.15 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 0.00 107 P 0.00 4.31 0.00 2.47 2.34 0.00 3.93 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 2.24 2.05 0.00 108 F 8.05 3.99 0.00 3.03 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 0.00 109 H 8.20 4.04 0.00 2.06 2.91 0.00 5.68 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 0.00 110 A 7.69 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.85 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 0.00 112 E 7.37 3.67 0.00 1.99 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 0.00 1.94 1.57 0.00 113 C 8.07 4.09 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.29 3.99 0.00 1.76 1.84 0.88 0.48 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 0.00 115 L 7.52 3.94 0.00 1.67 1.62 0.80 0.88 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 0.00 116 Q 7.27 4.16 0.00 1.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.06 1.24 0.00 *118 G 7.86 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 0.00 119 E 8.03 4.48 0.00 2.09 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 2.31 0.00 120 L 7.78 3.91 0.00 1.71 1.69 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.91 3.99 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 0.00 122 E 8.13 3.88 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 123 A 8.08 3.92 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 0.00 124 E 8.35 3.64 0.00 2.11 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 2.09 2.05 0.00 125 S 8.38 4.41 0.00 4.06 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 0.00 126 G 8.02 3.60 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 0.00 0.00 0.00 127 L 7.88 4.00 0.00 1.53 1.56 0.78 0.92 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 0.00 128 F 8.06 4.40 0.00 3.22 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 0.00 129 L 8.01 3.97 0.00 1.80 1.85 0.94 1.23 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 0.00 130 A 8.09 3.93 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 0.00 131 Q 8.36 3.88 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 132 E 7.97 3.96 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 133 L 7.88 4.10 0.00 1.70 1.60 0.96 0.76 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 0.00 134 I 7.14 4.28 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.57 0.36 0.00 0.00 135 A 6.95 3.73 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 0.00 136 N 8.64 4.08 0.00 2.93 2.96 0.00 0.00 7.14 8.02 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 *138 P 0.00 4.43 0.00 2.21 2.33 0.00 3.72 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 1.95 1.95 0.00 139 E 8.24 3.36 0.00 1.70 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.97 0.00 140 F 7.43 4.63 0.00 2.96 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 *142 E 8.44 4.21 0.00 2.06 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 2.27 2.35 0.00 143 L 7.86 3.73 0.00 1.73 1.80 -0.30 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.57 4.02 0.00 3.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.80 3.87 4.40 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 1.21 0.00 0.00 146 R 7.84 3.95 0.00 1.93 2.09 0.00 3.32 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 147 V 7.92 3.68 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 1.06 0.00 0.00 0.97 0.00 0.00 148 S 8.07 4.14 0.00 3.93 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 0.00 149 S 7.94 4.07 0.00 4.03 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 0.00 150 M 8.49 4.08 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 151 L 7.78 3.85 0.00 1.70 1.62 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.02 4.05 0.00 1.98 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 0.00 2.32 2.33 0.00 153 A 7.80 4.19 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 0.00 154 I 7.28 3.63 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.92 0.00 0.00 *156 L 7.58 4.04 0.00 1.87 1.67 0.92 0.93 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 *159 E 7.99 4.28 0.00 1.99 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 2.22 2.31 0.00 160 M 7.87 4.15 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.