NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4733 8.1933 115.4139 57.2783 64.6916 174.4896 8 P 3.9027 0.0000 0.0000 64.8677 31.1371 177.4163 9 L 3.9161 7.9548 119.0100 57.8497 42.4287 178.3176 10 L 3.8776 7.7837 120.0418 58.0162 42.0594 178.9526 11 V 3.5746 7.9524 118.5264 65.9412 31.3719 178.1352 12 G 3.4995 8.2677 105.5708 47.9545 0.0000 175.6532 13 R 3.8944 8.5290 122.3993 58.7045 30.0346 178.2036 14 E 3.9240 8.3898 119.3502 59.0864 29.6672 178.5246 15 F 3.9841 8.2388 120.7151 61.2717 39.4305 177.1478 16 V 3.0744 7.7076 117.8134 65.7891 31.1697 177.8827 17 R 3.9117 7.9871 118.2641 59.6166 29.9116 178.4894 18 Q 4.0030 8.0937 117.8604 59.0426 28.6436 178.1832 19 Y 3.7082 7.7553 120.6812 60.9741 38.6467 177.7489 20 Y 4.0996 7.8616 116.9916 60.5706 37.9234 178.4174 21 T 3.9648 7.7547 117.2584 66.4854 68.5642 176.5901 22 L 3.8966 8.1000 122.4483 57.8650 41.8523 178.5370 23 L 3.6332 7.6303 119.8057 57.9525 41.9065 178.3950 24 N 4.4351 7.6034 116.0733 56.7987 39.0996 176.7705 25 Q 4.2299 8.0631 117.9029 58.0224 30.4306 177.1813 26 A 4.7189 8.1308 121.5296 49.5603 21.0436 174.8285 27 P 4.2070 0.0000 0.0000 64.5615 31.5686 177.9248 28 D 4.6491 8.1205 117.4396 55.3207 39.7446 176.8176 29 M 4.3926 8.0229 119.7531 55.1727 32.8437 177.1612 30 L 3.9488 7.8378 122.1726 58.2889 42.1894 178.2518 31 H 4.5265 8.4585 114.8618 58.5267 27.9406 177.2594 32 R 3.9640 7.3719 117.8640 58.6658 29.4144 177.6432 33 F 4.5692 8.2262 118.1644 59.1224 39.3465 174.6540 34 Y 5.1415 8.0304 117.8793 56.1475 40.3193 174.8519 35 G 4.1737 8.9651 111.3294 43.0683 0.0000 174.0508 36 K 3.8981 8.6928 117.4468 59.6814 32.1943 177.4099 37 N 4.9200 7.9842 113.1589 52.7282 39.2183 175.0066 38 S 4.7046 8.0465 115.6665 58.7591 64.5934 172.8271 39 S 4.9539 9.0245 117.9661 56.5873 65.0683 172.0163 40 Y 5.0240 8.5875 127.7516 55.9269 41.4390 174.2809 41 V 4.5661 8.3255 125.6160 60.7593 35.9633 174.0501 *52 A 4.3470 8.3679 125.2175 52.0771 19.4026 176.2965 53 D 4.7257 8.4950 122.3805 53.0694 42.3360 176.2592 54 A 4.3445 8.3337 123.6667 52.1172 19.3440 177.2621 55 V 4.4521 8.2379 113.7443 59.6861 35.1009 174.4977 56 Y 5.6981 7.7687 119.8747 56.3210 41.1805 176.2953 57 G 4.7008 9.0722 108.5975 45.6644 0.0000 174.4338 58 Q 4.0246 8.7544 118.3126 58.8554 28.6983 179.3297 59 K 3.8327 8.0334 119.7408 59.8605 32.2743 178.5010 60 E 4.0080 8.0822 118.1373 59.2083 29.5133 179.2112 61 I 3.3214 7.9395 120.3009 64.3036 36.9967 177.7842 62 H 3.9945 8.4403 119.4925 59.2906 29.6780 177.0945 63 R 3.7573 7.7922 120.2850 59.2880 29.6479 178.3451 64 K 3.8555 7.7441 118.0392 59.4136 32.6373 178.4978 65 V 3.8460 7.8908 118.8275 66.5269 31.5511 177.9307 66 M 4.0844 8.2520 118.8901 58.2808 31.5294 178.8183 67 S 4.1987 7.9920 113.2800 60.7865 63.2674 175.6995 68 Q 3.8931 7.5865 119.6373 55.2750 29.7684 175.0035 69 N 4.0516 7.6171 116.6009 54.1373 36.5118 175.0461 70 F 4.4665 7.6749 115.2455 57.7469 40.0635 175.8012 71 T 4.5216 9.5251 120.5407 61.8066 70.2534 173.2853 72 N 4.2377 8.9454 126.5172 54.2670 36.2338 174.1783 73 C 5.0076 8.0953 117.7686 59.6610 32.3385 172.1512 74 H 5.1935 8.8351 123.5612 54.5024 31.1698 173.8685 75 T 5.1865 8.5203 117.7175 61.6972 72.6928 173.2685 76 K 4.4412 9.1713 126.7380 54.7492 34.7683 174.8799 77 I 4.3172 8.2922 129.3207 60.6646 37.2594 176.1296 78 R 4.2314 8.6616 127.4377 58.8076 30.9495 176.7739 79 H 4.8555 7.7190 116.2345 54.8375 33.5412 172.4508 80 V 4.7393 7.8842 123.4512 61.1674 34.2071 174.0271 81 D 5.0849 9.0059 127.2793 52.4696 43.7259 175.2257 82 A 5.0909 8.2511 123.7751 50.8762 22.0410 174.9186 83 H 4.9844 9.2163 119.0026 53.3651 33.3385 173.0695 84 A 4.4120 8.6807 123.0131 52.7827 18.9039 177.0213 85 T 4.6461 8.3619 116.5721 60.2222 70.5187 173.2231 86 L 3.9479 8.5952 118.8509 56.8301 42.4467 176.6428 87 N 4.3301 9.5745 116.9575 54.9197 36.0395 174.2122 88 D 4.4317 8.1556 110.6136 55.2595 39.0459 174.7448 89 G 4.1175 7.9289 107.7011 45.6883 0.0000 173.1599 90 V 4.9245 8.7723 119.5692 60.8292 34.6185 174.3949 91 V 4.7178 8.7160 127.8731 60.1781 33.7734 174.9122 92 V 4.8462 8.9695 124.2329 61.0513 34.7281 173.6400 93 Q 5.0550 9.2809 129.1833 54.3397 31.5342 174.0198 94 V 4.8454 9.1745 126.6690 61.3996 34.6157 174.0495 95 M 4.6346 8.4505 126.4518 53.8422 35.3153 175.2386 96 G 4.0784 6.7091 108.8819 45.8297 0.0000 171.4111 97 L 5.5957 8.6776 119.5543 52.9022 45.4353 175.7956 98 L 5.3898 9.5278 124.3612 53.4335 45.8075 174.8875 99 S 5.1680 9.3491 120.3087 56.5518 65.6857 172.0951 100 N 5.1865 8.2641 123.2778 52.2485 42.6473 173.3391 101 N 4.3092 9.5728 122.3299 55.1140 37.9688 173.4996 102 N 4.2567 8.3577 108.4575 54.0112 36.3684 174.7916 103 Q 4.3503 7.7566 116.7589 54.4145 30.2278 175.5017 104 A 4.2777 8.1815 120.4042 52.0522 19.0256 177.6938 105 L 4.4443 8.5166 119.8702 55.0724 42.6977 176.9306 106 R 4.7937 9.0582 121.1444 54.2456 33.8904 175.4139 107 R 4.7463 8.7234 122.2380 56.5542 31.7577 175.4467 108 F 5.3330 8.8524 116.7689 55.7202 42.0060 172.7834 109 M 5.0302 8.6005 116.4917 53.5534 34.5349 174.3565 110 Q 4.8263 9.0328 121.3638 54.8844 33.0516 173.3976 111 T 5.0011 8.7529 123.1564 61.7896 71.2962 173.3240 112 F 5.3768 9.2946 124.6096 55.5806 43.1317 174.2798 113 V 4.6699 8.6610 122.0760 61.2458 33.8019 174.1147 114 L 4.7828 9.0106 128.7090 53.2100 43.4211 175.6356 115 A 5.0765 8.2817 125.1947 49.0177 22.3843 173.6686 116 P 4.0079 0.0000 0.0000 62.7489 31.2756 176.5889 117 E 4.1701 9.0382 126.3229 57.6620 29.7841 178.1460 118 G 4.0305 8.8350 106.9478 45.0474 0.0000 173.5059 119 S 4.6391 8.3471 111.2814 57.3786 64.2122 174.2176 120 V 4.3277 7.4865 120.6822 60.5808 34.2326 174.2371 121 A 3.8802 8.7330 132.2328 54.1722 18.7558 177.2834 122 N 4.1592 8.6000 116.2889 52.6981 35.6540 172.8900 123 K 4.6300 7.3635 119.9407 56.5053 33.6500 175.6858 124 F 5.5150 8.9847 124.7080 55.8293 42.8474 173.3021 125 Y 4.9572 8.7574 117.8598 55.1976 42.0399 174.6318 126 V 3.8149 8.7641 120.7932 62.3329 31.3771 175.0652 127 H 4.6159 9.0456 130.1065 58.4265 31.2132 174.8280 128 N 5.6515 8.0577 113.9915 51.5948 43.2825 173.6239 129 D 4.7940 9.1263 122.1496 53.1498 44.5401 173.9198 130 I 4.7247 8.6032 128.2639 59.4167 39.8213 174.5923 131 F 5.1879 8.7579 129.6895 56.3693 41.9963 174.8217 132 R 4.6675 8.0362 123.5587 54.7532 34.8546 174.3902 133 Y 4.7365 8.8089 124.0922 58.6745 39.0302 177.5177 134 Q 4.2735 9.1789 122.6426 57.3134 28.6148 176.8629 135 D 4.5526 8.1684 114.7521 56.1193 39.7184 176.8571 136 E 4.3137 7.7540 116.8441 56.7053 29.9579 176.6100 137 V 3.9931 7.4928 124.1732 62.8774 31.6709 174.8639 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 7 S 8.19 4.47 0.00 4.01 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 8 P 0.00 3.90 0.00 2.19 2.06 0.00 3.57 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 2.09 2.18 0.00 9 L 7.95 3.92 0.00 1.68 1.61 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.78 3.88 0.00 1.82 1.77 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.95 3.57 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 0.23 0.00 0.00 0.82 0.00 0.00 12 G 8.27 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.53 3.89 0.00 1.96 1.92 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 14 E 8.39 3.92 0.00 2.20 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 2.33 2.59 0.00 15 F 8.24 3.98 0.00 2.96 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 16 V 7.71 3.07 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 1.21 0.00 0.00 1.01 0.00 0.00 17 R 7.99 3.91 0.00 2.03 2.07 0.00 3.15 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 1.64 1.70 0.00 18 Q 8.09 4.00 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 19 Y 7.76 3.71 0.00 1.43 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 0.00 0.00 0.00 20 Y 7.86 4.10 0.00 3.14 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 21 T 7.75 3.96 4.44 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 1.26 0.00 0.00 22 L 8.10 3.90 0.00 1.85 1.75 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.63 3.63 0.00 1.35 1.66 -0.26 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.60 4.44 0.00 2.93 3.00 0.00 0.00 7.29 6.97 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 25 Q 8.06 4.23 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 26 A 8.13 4.72 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.21 0.00 2.35 2.34 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 28 D 8.12 4.65 0.00 2.93 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 29 M 8.02 4.39 0.00 1.90 2.12 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 2.49 2.47 0.00 30 L 7.84 3.95 0.00 1.86 1.73 0.51 0.88 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 31 H 8.46 4.53 0.00 3.44 3.63 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.37 3.96 0.00 1.83 1.82 0.00 2.82 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.00 33 F 8.23 4.57 0.00 2.81 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 34 Y 8.03 5.14 0.00 3.09 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 35 G 8.97 4.17 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 0.00 0.00 0.00 36 K 8.69 3.90 0.00 1.89 1.98 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.49 7.81 37 N 7.98 4.92 0.00 2.86 2.98 0.00 0.00 6.92 7.57 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 38 S 8.05 4.70 0.00 4.19 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 0.00 39 S 9.02 4.95 0.00 4.05 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 Y 8.59 5.02 0.00 2.89 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.57 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 0.86 0.00 0.00 0.86 0.00 0.00 *52 A 8.37 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.49 4.73 0.00 2.70 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 54 A 8.33 4.34 0.96 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 55 V 8.24 4.45 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 0.73 0.00 0.00 0.93 0.00 0.00 56 Y 7.77 5.70 0.00 2.87 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 57 G 9.07 4.70 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 0.00 0.00 0.00 58 Q 8.75 4.02 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.79 2.67 0.00 59 K 8.03 3.83 0.00 1.81 1.81 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 60 E 8.08 4.01 0.00 2.22 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 2.42 2.39 0.00 61 I 7.94 3.32 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.42 -0.23 0.00 0.00 62 H 8.44 3.99 0.00 3.18 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.79 3.76 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 64 K 7.74 3.86 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.60 7.81 65 V 7.89 3.85 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 1.13 0.00 0.00 0.66 0.00 0.00 66 M 8.25 4.08 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 67 S 7.99 4.20 0.00 3.98 4.07 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 68 Q 7.59 3.89 0.00 1.58 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.53 0.00 69 N 7.62 4.05 0.00 2.74 2.77 0.00 0.00 6.98 7.05 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 70 F 7.67 4.47 0.00 3.02 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 71 T 9.53 4.52 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 1.30 0.00 0.00 72 N 8.95 4.24 0.00 2.88 2.84 0.00 0.00 7.07 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 73 C 8.10 5.01 0.00 3.11 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 74 H 8.84 5.19 0.00 3.17 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.52 5.19 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 76 K 9.17 4.44 0.00 1.80 1.67 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.37 7.81 77 I 8.29 4.32 1.84 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.87 0.00 0.00 78 R 8.66 4.23 0.00 1.72 1.92 0.00 3.31 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 79 H 7.72 4.86 0.00 3.18 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.88 4.74 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 0.87 0.00 0.00 0.93 0.00 0.00 81 D 9.01 5.08 0.00 2.62 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 82 A 8.25 5.09 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 83 H 9.22 4.98 0.00 3.04 3.15 0.00 5.63 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 84 A 8.68 4.41 1.24 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 0.00 0.00 0.00 85 T 8.36 4.65 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 86 L 8.60 3.95 0.00 1.74 1.60 0.92 0.71 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 87 N 9.57 4.33 0.00 2.77 2.82 0.00 0.00 6.99 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.16 4.43 0.00 2.83 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 89 G 7.93 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 0.00 0.00 0.00 0.00 90 V 8.77 4.92 1.70 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 0.94 0.00 0.00 0.63 0.00 0.00 91 V 8.72 4.72 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 0.70 0.00 0.00 0.97 0.00 0.00 92 V 8.97 4.85 2.30 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 1.19 0.00 0.00 0.86 0.00 0.00 93 Q 9.28 5.05 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 94 V 9.17 4.85 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.29 0.00 0.00 95 M 8.45 4.63 0.00 1.77 1.79 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 96 G 6.71 4.08 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 0.00 0.00 0.00 97 L 8.68 5.60 0.00 1.63 1.64 0.90 0.56 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 98 L 9.53 5.39 0.00 1.82 1.84 0.86 1.10 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 99 S 9.35 5.17 0.00 3.99 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 0.00 100 N 8.26 5.19 0.00 2.98 2.62 0.00 0.00 6.81 6.71 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 0.00 101 N 9.57 4.31 0.00 2.83 2.84 0.00 0.00 7.25 8.07 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 0.00 102 N 8.36 4.26 0.00 2.92 2.91 0.00 0.00 7.16 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 0.00 103 Q 7.76 4.35 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 104 A 8.18 4.28 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.52 4.44 0.00 1.60 1.70 0.96 0.97 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 0.00 106 R 9.06 4.79 0.00 1.79 1.77 0.00 2.88 0.00 0.00 2.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 107 R 8.72 4.75 0.00 1.81 1.82 0.00 3.07 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 108 F 8.85 5.33 0.00 2.12 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 0.00 109 M 8.60 5.03 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 110 Q 9.03 4.83 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.19 2.24 0.00 111 T 8.75 5.00 4.13 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 1.17 0.00 0.00 112 F 9.29 5.38 0.00 2.76 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 0.00 113 V 8.66 4.67 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 1.02 0.00 0.00 0.94 0.00 0.00 114 L 9.01 4.78 0.00 1.21 1.21 0.31 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.28 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.01 0.00 1.85 1.71 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 117 E 9.04 4.17 0.00 2.12 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 2.30 2.46 0.00 118 G 8.84 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.35 4.64 0.00 3.91 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 0.00 120 V 7.49 4.33 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 1.01 0.00 0.00 0.92 0.00 0.00 121 A 8.73 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.60 4.16 0.00 2.91 2.77 0.00 0.00 6.64 7.44 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 0.00 123 K 7.36 4.63 0.00 1.84 1.74 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 124 F 8.98 5.51 0.00 2.77 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 0.00 125 Y 8.76 4.96 0.00 3.18 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 0.00 126 V 8.76 3.81 1.62 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 0.94 0.00 0.00 0.35 0.00 0.00 127 H 9.05 4.62 0.00 2.99 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.06 5.65 0.00 2.74 2.66 0.00 0.00 6.52 8.08 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 0.00 129 D 9.13 4.79 0.00 3.12 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 0.00 130 I 8.60 4.72 1.76 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 1.06 0.58 0.85 0.00 0.00 131 F 8.76 5.19 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.04 4.67 0.00 1.60 1.70 0.00 3.37 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 133 Y 8.81 4.74 0.00 3.15 2.99 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 0.00 134 Q 9.18 4.27 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 135 D 8.17 4.55 0.00 2.76 2.85 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 0.00 136 E 7.75 4.31 0.00 2.38 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 2.37 2.30 0.00 137 V 7.49 3.99 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 0.76 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.