NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3743 8.1733 120.1643 56.7380 35.3319 174.8555 4 Q 4.3022 8.5659 121.0997 54.8393 28.8937 169.6039 5 V 4.7136 9.3749 126.0378 61.0464 34.8202 173.7849 6 E 5.1430 9.0622 126.1425 54.6267 32.5283 175.0063 7 I 4.9307 8.4029 124.0039 59.4311 41.2447 174.2851 8 F 5.5042 9.4575 125.8968 55.9775 41.4618 174.5058 9 T 5.3735 8.7063 113.7074 60.3621 71.9861 172.8332 10 D 4.7994 8.9820 120.4589 53.7135 45.1131 174.2929 11 G 4.7584 8.4806 110.3967 45.4403 0.0000 171.5428 12 S 4.8177 8.7787 113.9236 57.4648 66.7109 173.8343 13 A 5.1187 8.4501 121.7889 50.2826 20.9427 176.6831 14 L 4.1143 9.4502 121.1216 56.1272 42.1972 176.6897 15 G 4.2866 7.5886 104.9609 42.8168 0.0000 172.3871 16 N 5.0373 8.1393 115.0649 51.6899 38.4864 172.1058 17 P 4.6194 0.0000 0.0000 62.0352 34.5202 175.4404 18 G 4.0816 7.6807 105.3344 45.6679 0.0000 170.4664 19 P 4.9495 0.0000 0.0000 62.6694 32.7517 175.7493 20 G 4.2921 9.1755 108.3420 45.7854 0.0000 170.8995 21 G 4.6666 8.8073 105.6592 45.8005 0.0000 171.9928 22 Y 5.5835 8.5094 117.6377 55.1376 42.1616 174.5491 23 G 4.6730 9.6737 106.9131 44.6247 0.0000 171.4733 24 A 5.4534 9.7601 125.4310 50.2179 22.9016 174.8015 25 I 5.0718 9.2493 123.4626 59.5451 40.5032 174.5168 26 L 5.3129 9.1771 127.4457 52.9977 44.3720 175.5175 27 R 5.2207 9.2542 123.6517 54.7900 33.5530 173.3892 28 Y 4.9655 9.1160 126.9291 56.7153 42.4219 175.1997 29 R 3.5050 9.4015 126.5931 57.2441 27.7560 177.2274 30 G 3.9365 8.1950 103.5717 45.5687 0.0000 173.6752 31 R 4.6586 8.0089 119.3282 54.5042 32.1756 174.6866 32 E 5.3089 8.4288 120.1618 54.5580 32.9845 174.6949 33 K 4.7311 9.1693 124.3830 54.8988 36.1589 175.2800 34 T 5.1714 8.1679 119.0693 61.8919 72.1118 173.4019 35 F 5.0963 9.4563 123.0966 56.0708 43.4145 173.9163 36 S 5.0623 8.9136 115.1249 57.7076 66.0113 173.0830 37 A 4.3450 7.4758 120.8941 50.7345 22.5082 175.3012 38 G 4.4939 8.2081 107.2919 43.7212 0.0000 171.6876 39 Y 5.2244 9.1977 120.2499 55.9649 41.0967 176.9913 40 T 3.9642 9.0718 113.9624 64.4660 70.2627 174.1642 41 R 4.7584 7.8631 122.1615 55.5473 32.8169 173.6206 42 T 3.6991 8.4917 123.0136 61.5775 71.1054 171.9768 43 T 4.8522 7.7982 108.6419 59.0517 72.5143 174.3238 44 N 4.2061 8.6883 118.8571 56.6302 38.4633 177.2149 45 N 3.8830 7.8083 116.9961 56.4064 38.5283 177.5432 46 R 3.7720 7.5857 119.1368 59.4809 30.0377 179.1305 47 M 4.1287 7.9908 118.5222 58.2259 31.8019 178.6721 48 E 4.0145 8.2636 118.9647 59.2078 29.6369 179.1696 49 L 3.9442 7.8883 120.5034 57.9116 42.0750 178.8552 50 K 3.7363 8.3587 119.8452 59.1738 32.0116 178.5946 51 A 3.5134 8.0766 121.0097 54.9785 18.3329 179.5204 52 A 3.9328 7.5849 117.8302 55.1902 18.4561 179.8228 53 I 3.5650 7.6484 118.2630 64.8163 37.2496 178.6671 54 E 3.9345 8.2001 119.5793 58.9746 28.9061 179.7312 55 G 3.4870 7.6628 105.3723 47.7057 0.0000 175.5313 56 L 4.0418 7.7750 121.5617 57.4263 41.4339 179.7922 57 K 4.0062 7.9434 117.0642 59.0266 31.9873 178.8803 58 A 4.1252 7.3964 119.5913 52.9454 18.2476 177.2672 59 L 4.2772 7.2171 117.6731 53.4036 41.3362 176.9466 60 K 4.1112 8.7322 124.6548 58.5709 32.3559 177.6859 61 E 4.6274 7.6863 114.5620 53.3882 31.5939 173.5601 62 P 4.3970 0.0000 0.0000 62.8823 31.9040 175.2966 63 A 4.6986 8.7054 123.7370 50.5150 23.5855 174.3636 64 E 4.7219 8.7171 119.2223 55.4110 31.0133 175.8939 65 V 4.8190 8.8739 125.0546 60.9971 34.9991 174.1172 66 D 5.0124 8.6521 126.5405 52.5604 43.4261 174.5783 67 L 4.7842 7.9791 126.9213 53.3783 44.1848 174.4943 68 Y 5.0337 8.9754 124.7070 56.7157 40.3989 174.8032 69 T 5.1601 8.7941 117.3670 60.9283 71.4568 173.1975 70 D 5.0345 8.6501 125.1174 52.5361 40.0596 176.6847 71 S 4.3224 7.9371 115.4601 59.5482 63.0534 174.2751 72 H 4.2028 8.9801 129.0913 59.1076 29.7959 176.4569 73 Y 4.2882 8.0004 120.3860 60.8661 38.6381 178.0929 74 L 4.1775 8.2266 119.9798 57.3785 41.6929 179.2139 75 K 2.0000 7.5751 119.5513 58.7659 32.0592 178.6632 76 K 3.8632 8.2248 120.9015 58.8488 31.8927 178.4639 77 A 3.6501 7.5152 119.7778 55.0667 18.3212 179.1465 78 F 4.0758 8.2734 115.1824 59.5629 39.3042 177.7606 79 T 4.2478 8.2812 109.4716 61.2017 68.9846 175.8461 80 E 4.1122 8.2410 120.0126 56.1377 27.5955 177.1250 *98 P 4.1704 0.0000 0.0000 62.9571 32.7237 176.4187 99 V 3.8383 8.0929 119.3491 62.0339 30.8053 175.9561 100 K 4.1438 8.6966 128.1734 57.7118 32.9282 176.0196 101 N 4.6512 9.3035 119.9685 53.1673 36.3880 176.7538 102 R 4.2710 7.6196 116.4194 59.4484 29.1030 177.4524 103 D 4.3818 8.1531 119.5059 56.5766 39.2792 178.5034 104 L 4.0858 7.8194 119.9087 56.8432 41.7710 179.2029 105 W 4.2523 8.1191 119.1634 59.7043 28.9918 178.1314 106 E 4.0123 8.6265 119.1518 59.3107 29.0759 178.7225 107 A 4.0400 7.9219 120.5040 54.9451 18.3216 179.4643 108 L 3.9498 8.2046 119.1991 58.3345 42.1226 179.0732 109 L 4.1109 8.1582 118.9708 57.9946 41.3377 179.6268 110 L 4.0248 7.9665 117.6970 57.6819 41.6352 179.1244 111 A 4.1478 8.0280 120.0343 55.1338 18.6140 179.1994 112 M 4.2009 8.5434 117.0085 57.4333 31.8357 178.4455 113 A 3.9818 7.4621 122.5213 54.8783 18.1420 176.9711 114 P 4.3834 0.0000 0.0000 64.1147 31.8115 174.9012 115 H 4.9605 7.9130 115.4444 54.3012 32.7941 173.9473 116 R 4.3942 8.7135 119.1940 54.9295 30.7870 174.9892 117 V 4.3182 8.0819 123.7486 61.2075 33.1147 174.8779 118 R 4.3968 8.7245 127.6218 54.3769 32.0380 175.3885 119 F 4.2114 8.4031 123.1374 56.9055 40.4483 175.4476 120 H 4.3514 8.3084 119.3562 53.9805 31.5887 173.0795 121 F 5.0343 8.4261 123.5701 56.5054 38.7322 176.4080 122 V 4.0377 8.5786 117.8861 60.3100 33.2971 176.7620 123 K 4.5120 8.4626 123.4671 54.5415 30.8912 177.9940 124 G 3.8850 8.0818 108.1239 45.2592 0.0000 170.4651 125 H 4.6821 8.5844 113.5439 55.9071 29.9688 174.0423 126 A 4.1816 7.9830 122.1916 54.5713 17.8078 177.3024 127 G 3.8831 9.3823 110.3489 46.5121 0.0000 172.9210 128 H 4.8368 8.4046 116.5209 51.9263 29.4468 171.8907 129 P 4.1753 0.0000 0.0000 66.2618 31.2139 178.5205 130 E 3.6716 7.6368 117.5641 58.9124 29.1849 178.9456 131 N 4.3976 7.8759 116.1965 56.0827 38.7716 176.8557 132 E 3.3977 8.1222 120.7877 59.3019 29.7285 179.2133 133 R 4.0533 8.0840 117.9304 59.0724 30.0973 178.8997 134 A 4.0895 8.2003 120.9815 55.0623 18.3264 179.1812 135 D 4.3491 8.2967 116.7320 57.5307 41.3271 178.3099 136 E 3.9866 8.0805 119.0161 59.4119 29.4581 179.3633 137 L 3.9822 8.0910 118.7697 57.5992 41.6889 179.3996 138 A 4.1256 8.1198 120.6504 55.3360 18.1627 179.9035 139 R 3.8697 7.9586 114.9849 59.3473 30.5752 178.8447 140 A 4.1052 8.1536 120.3071 55.1981 18.2586 179.5955 141 A 3.9093 8.1920 119.0327 55.0853 18.1965 179.5546 142 A 4.1620 7.7989 118.1110 54.9100 18.5051 179.2452 143 M 4.2558 7.6427 116.2131 56.9901 33.4542 176.5145 144 N 5.0148 7.5918 114.7567 50.9284 39.3918 172.0712 145 P 4.5795 0.0000 0.0000 62.3958 33.1525 177.0743 146 T 4.4640 8.0055 107.2143 62.1063 71.0759 174.5641 147 L 4.2237 7.2595 121.5128 53.9579 42.3823 175.5557 148 E 4.7508 8.4791 119.8907 55.1184 31.3376 176.1816 149 D 4.7272 8.5582 121.6577 53.0571 39.9139 176.4721 150 T 3.9517 8.5410 122.6901 65.6507 68.6966 175.3611 151 G 4.0132 7.7142 107.6315 44.8063 0.0000 173.1427 152 Y 4.4355 8.0718 126.1143 57.8934 38.7130 175.0711 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 3 K 8.17 4.37 0.00 1.83 2.14 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 4 Q 8.57 4.30 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 5 V 9.37 4.71 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 1.00 0.00 0.00 0.74 0.00 0.00 6 E 9.06 5.14 0.00 1.97 1.40 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 2.29 2.31 0.00 7 I 8.40 4.93 1.68 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.87 0.00 0.00 8 F 9.46 5.50 0.00 2.96 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 9 T 8.71 5.37 4.32 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 1.28 0.00 0.00 10 D 8.98 4.80 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.48 4.76 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 12 S 8.78 4.82 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.45 5.12 1.22 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 14 L 9.45 4.11 0.00 1.61 1.74 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.59 4.29 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 0.00 16 N 8.14 5.04 0.00 2.66 2.66 0.00 0.00 6.91 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.62 0.00 2.18 2.26 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 18 G 7.68 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 19 P 0.00 4.95 0.00 2.32 2.20 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.82 0.00 20 G 9.18 4.29 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 0.00 21 G 8.81 4.67 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 0.00 0.00 0.00 22 Y 8.51 5.58 0.00 3.07 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 23 G 9.67 4.67 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 0.00 0.00 0.00 24 A 9.76 5.45 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 25 I 9.25 5.07 2.14 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 1.32 0.94 1.04 0.00 0.00 26 L 9.18 5.31 0.00 1.74 1.66 1.00 0.91 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 27 R 9.25 5.22 0.00 2.03 1.96 0.00 3.35 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 1.60 1.76 0.00 28 Y 9.12 4.97 0.00 3.01 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 29 R 9.40 3.50 0.00 1.43 1.64 0.00 2.97 0.00 0.00 2.81 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 30 G 8.19 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 31 R 8.01 4.66 0.00 2.03 1.88 0.00 3.11 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 32 E 8.43 5.31 0.00 1.95 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 2.19 2.50 0.00 33 K 9.17 4.73 0.00 1.84 1.51 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.43 7.81 34 T 8.17 5.17 4.15 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 1.20 0.00 0.00 35 F 9.46 5.10 0.00 3.04 3.06 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 36 S 8.91 5.06 0.00 3.78 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.48 4.34 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 38 G 8.21 4.49 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 0.00 0.00 0.00 39 Y 9.20 5.22 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.07 3.96 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 1.25 0.00 0.00 41 R 7.86 4.76 0.00 1.87 1.98 0.00 3.37 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 42 T 8.49 3.70 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 1.11 0.00 0.00 43 T 7.80 4.85 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 0.91 0.00 0.00 44 N 8.69 4.21 0.00 2.69 2.85 0.00 0.00 6.80 6.92 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 45 N 7.81 3.88 0.00 2.26 1.52 0.00 0.00 7.06 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 46 R 7.59 3.77 0.00 1.65 1.78 0.00 3.32 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 47 M 7.99 4.13 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.73 0.00 48 E 8.26 4.01 0.00 2.24 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 0.00 2.48 2.57 0.00 49 L 7.89 3.94 0.00 1.74 1.61 0.28 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.36 3.74 0.00 1.78 1.66 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.33 7.81 51 A 8.08 3.51 1.50 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 52 A 7.58 3.93 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 53 I 7.65 3.57 1.87 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 1.55 0.74 0.84 0.00 0.00 54 E 8.20 3.93 0.00 1.31 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 0.00 2.09 2.03 0.00 55 G 7.66 3.49 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 0.00 0.00 0.00 56 L 7.77 4.04 0.00 1.84 1.85 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.94 4.01 0.00 1.75 1.80 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.54 7.81 58 A 7.40 4.13 0.68 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 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.22 4.28 0.00 1.75 1.56 0.64 0.82 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 60 K 8.73 4.11 0.00 1.73 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 61 E 7.69 4.63 0.00 2.03 1.90 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 2.12 2.23 0.00 62 P 0.00 4.40 0.00 1.93 2.17 0.00 3.68 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 63 A 8.71 4.70 1.12 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 64 E 8.72 4.72 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 65 V 8.87 4.82 1.84 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 0.74 0.00 0.00 0.72 0.00 0.00 66 D 8.65 5.01 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.98 4.78 0.00 1.21 0.78 0.75 0.66 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 68 Y 8.98 5.03 0.00 3.04 2.97 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 69 T 8.79 5.16 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 1.46 0.00 0.00 70 D 8.65 5.03 0.00 2.99 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 71 S 7.94 4.32 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.98 4.20 0.00 3.29 3.31 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.00 4.29 0.00 3.13 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 74 L 8.23 4.18 0.00 1.87 1.88 1.08 0.77 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 75 K 7.58 2.00 0.00 1.37 1.62 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.15 7.81 76 K 8.22 3.86 0.00 1.83 1.86 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.46 7.81 77 A 7.52 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.27 4.08 0.00 2.99 3.20 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 79 T 8.28 4.25 4.23 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 1.24 0.00 0.00 80 E 8.24 4.11 0.00 1.91 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 2.24 2.38 0.00 *98 P 0.00 4.17 0.00 2.22 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 99 V 8.09 3.84 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 0.78 0.00 0.00 0.86 0.00 0.00 100 K 8.70 4.14 0.00 1.92 1.84 0.00 1.96 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.54 7.81 101 N 9.30 4.65 0.00 3.11 2.81 0.00 0.00 7.36 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 0.00 102 R 7.62 4.27 0.00 2.11 2.47 0.00 2.82 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 103 D 8.15 4.38 0.00 2.91 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 0.00 104 L 7.82 4.09 0.00 1.58 1.51 0.76 0.87 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 0.00 105 W 8.12 4.25 0.00 3.56 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 0.00 106 E 8.63 4.01 0.00 2.11 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 2.34 2.37 0.00 107 A 7.92 4.04 1.38 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 0.00 0.00 0.00 108 L 8.20 3.95 0.00 1.80 2.04 1.09 1.25 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 0.00 109 L 8.16 4.11 0.00 1.97 1.76 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.97 4.02 0.00 1.81 1.74 0.94 0.65 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 0.00 111 A 8.03 4.15 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 0.00 112 M 8.54 4.20 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.70 0.00 113 A 7.46 3.98 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 0.00 114 P 0.00 4.38 0.00 1.99 2.19 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 115 H 7.91 4.96 0.00 2.98 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.71 4.39 0.00 1.72 1.84 0.00 3.10 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 117 V 8.08 4.32 1.89 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 -0.20 0.00 0.00 0.81 0.00 0.00 118 R 8.72 4.40 0.00 1.63 1.56 0.00 3.11 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 119 F 8.40 4.21 0.00 2.29 1.63 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 0.00 120 H 8.31 4.35 0.00 2.15 2.88 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.43 5.03 0.00 2.98 3.02 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 0.00 122 V 8.58 4.04 1.87 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 0.88 0.00 0.00 1.08 0.00 0.00 123 K 8.46 4.51 0.00 1.80 1.83 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.55 7.81 124 G 8.08 3.88 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 0.00 0.00 0.00 125 H 8.58 4.68 0.00 3.22 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.98 4.18 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 0.00 127 G 9.38 3.88 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 0.00 0.00 0.00 128 H 8.40 4.84 0.00 3.20 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.83 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 4.18 0.00 2.13 2.24 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 130 E 7.64 3.67 0.00 1.16 1.12 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 1.47 1.97 0.00 131 N 7.88 4.40 0.00 3.01 2.91 0.00 0.00 6.78 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 0.00 132 E 8.12 3.40 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 2.48 2.45 0.00 133 R 8.08 4.05 0.00 1.98 1.93 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 134 A 8.20 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.30 4.35 0.00 3.11 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 0.00 136 E 8.08 3.99 0.00 2.29 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 2.34 2.58 0.00 137 L 8.09 3.98 0.00 1.93 1.72 0.97 0.48 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 0.00 138 A 8.12 4.13 1.50 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 0.00 139 R 7.96 3.87 0.00 1.81 2.02 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 140 A 8.15 4.11 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 0.00 141 A 8.19 3.91 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 0.00 142 A 7.80 4.16 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 0.00 143 M 7.64 4.26 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 144 N 7.59 5.01 0.00 2.61 2.67 0.00 0.00 6.94 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 0.00 145 P 0.00 4.58 0.00 2.20 2.01 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 146 T 8.01 4.46 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 1.17 0.00 0.00 147 L 7.26 4.22 0.00 1.46 1.45 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.48 4.75 0.00 2.16 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 2.27 2.37 0.00 149 D 8.56 4.73 0.00 2.61 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 0.00 150 T 8.54 3.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 151 G 7.71 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 0.00 152 Y 8.07 4.44 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.