NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1683 8.0327 117.2995 63.3598 70.7475 172.0773 2 V 3.9897 7.8957 125.7409 61.3215 32.8129 172.7439 3 A 4.8706 9.4628 131.8315 50.4478 22.1829 174.3710 4 Y 5.0939 8.7898 119.1576 56.3607 40.4627 174.8880 5 I 5.0871 8.8280 125.2439 59.3779 40.5219 174.7817 6 A 4.8923 9.1282 129.0841 51.3378 20.5219 176.1236 7 I 4.9632 8.8703 121.9431 59.4914 40.7200 175.0656 8 G 4.4977 9.1888 113.0014 44.7823 0.0000 171.2916 9 S 5.0731 8.8971 115.8196 56.4457 66.1960 173.7523 10 N 4.3505 8.4389 123.2934 52.4278 37.7013 175.1380 11 L 4.1654 7.4002 119.1697 54.5541 42.3652 177.3125 12 A 4.3151 8.5968 124.5145 54.7052 18.8382 178.2714 13 S 4.8533 7.6810 110.9993 56.1428 63.0614 172.5748 14 P 4.3774 0.0000 0.0000 63.8084 31.8391 178.3109 15 L 3.9303 7.7328 119.6230 57.8175 41.5917 178.5007 16 E 3.9230 8.1058 118.7404 59.5229 29.6255 178.8214 17 Q 3.9470 7.9214 117.5310 58.7917 28.7796 178.6969 18 V 3.4293 7.7587 119.2633 66.1110 31.4725 177.8879 19 N 4.3812 8.5681 116.4243 56.2531 38.3154 177.3257 20 A 3.9707 8.2854 122.1399 54.9967 18.3688 179.5450 21 A 3.9426 8.1967 119.4401 55.1918 18.4224 179.8951 22 L 3.9293 8.1480 117.6387 57.7751 41.8252 179.4717 23 K 3.8582 8.3626 119.6309 59.6345 31.8772 178.5952 24 A 4.0183 7.9433 119.6621 55.0856 18.6704 179.1800 25 L 4.1884 8.3571 118.0112 58.0623 41.5129 180.1089 26 G 3.6867 7.9502 104.3355 47.4262 0.0000 174.5333 27 D 4.6517 7.6452 118.1374 53.5142 41.5195 176.8687 28 I 3.6943 6.9266 121.2840 60.5797 37.6802 174.3350 29 P 4.2591 0.0000 0.0000 64.0788 31.8137 175.6604 30 E 3.8879 8.9166 118.5331 57.2177 27.0715 174.3021 31 S 5.1264 7.8078 111.7320 57.7123 67.2660 172.8805 32 H 4.9028 8.5425 116.3416 54.5012 31.9784 172.8364 33 I 4.1148 8.2933 121.1198 61.8865 37.2068 175.9062 34 L 4.2821 9.0861 128.4072 57.2298 41.9100 177.2325 35 T 4.7278 7.5976 113.8699 62.1716 73.2621 172.2638 36 V 4.8210 8.2882 125.0657 60.9403 33.7371 175.4805 37 S 4.6471 9.0316 123.1811 57.8243 64.2073 173.8102 38 S 4.2343 9.1017 116.6704 58.8766 63.6721 173.9713 39 F 5.3988 8.4051 119.8124 56.6711 40.7495 174.7845 40 Y 5.2705 9.4629 121.2275 56.3325 41.2709 174.4184 41 R 5.7578 9.2381 123.1791 55.1565 32.0012 175.4925 42 T 4.9047 9.1900 115.9707 59.2681 72.1542 171.9142 43 P 5.1232 0.0000 0.0000 61.5861 32.3638 174.4054 44 P 4.7404 0.0000 0.0000 63.2758 31.9333 176.1288 45 L 4.5889 8.5110 117.1320 54.3510 41.9842 176.3720 46 G 4.3268 7.6515 106.9432 42.8710 0.0000 171.4374 47 P 4.4263 0.0000 0.0000 64.3516 31.9210 176.9751 48 Q 4.2853 7.7551 117.6606 55.0144 29.5123 175.3021 49 D 4.4722 8.4968 120.7714 54.7614 41.2422 176.0202 50 Q 4.5573 8.0495 119.7617 54.5877 30.8585 172.0131 51 P 4.4833 0.0000 0.0000 62.3152 32.0219 176.0479 52 D 4.9244 8.3919 119.6443 54.8920 41.8542 175.4642 53 Y 4.6260 9.4686 118.5738 57.1142 39.9816 174.5591 54 L 4.9318 8.7609 125.8462 54.0096 43.8356 175.0152 55 N 5.6927 9.5098 122.6843 51.8758 43.0422 173.2040 56 A 5.2610 8.9637 122.3989 51.2808 23.7231 174.5741 57 A 5.3339 9.3977 119.7066 50.5082 23.0806 175.8407 58 V 4.9419 8.9411 118.9907 59.8909 35.3893 174.2799 59 A 4.6166 9.0554 125.9764 50.5128 20.7461 175.5809 60 L 4.9075 8.5791 125.6052 53.0785 44.9392 175.1237 61 E 4.4429 8.7532 128.4008 56.3172 30.7068 175.2538 62 T 5.0658 8.6271 120.7468 61.0991 70.5919 173.6519 63 S 4.5756 8.8468 122.4125 58.6623 63.5747 174.9072 64 L 4.3339 7.7083 120.6085 54.0561 42.2087 177.3317 65 A 4.2577 8.7552 122.1489 51.2406 20.3536 176.9385 66 P 3.4203 0.0000 0.0000 65.6630 31.3398 178.9202 67 E 3.8803 7.9178 117.2977 58.9843 29.5716 178.5301 68 E 3.9709 8.0279 118.4803 59.2263 29.5343 178.8377 69 L 4.0219 8.1568 120.5293 57.9545 42.1715 178.4755 70 L 3.9481 8.1897 120.6825 58.4809 41.8853 178.7228 71 N 4.3066 8.2155 116.0747 56.8007 38.3930 177.1736 72 H 4.1835 8.2986 117.7993 58.9583 28.7332 177.9718 73 T 3.8990 8.3340 112.0352 64.9560 68.5151 176.6683 74 Q 4.1406 8.3297 120.9575 58.4879 28.6582 178.3177 75 R 3.8623 8.2020 120.0047 59.6843 30.0611 178.6848 76 I 3.7119 8.0380 119.6227 64.2804 37.0708 178.0544 77 E 3.9638 8.3613 119.5986 59.6602 29.1262 179.6098 78 L 4.0050 7.6318 117.3095 57.9496 41.7632 179.3122 79 Q 4.1545 8.2237 117.0940 58.2282 28.8703 177.6281 80 Q 4.5940 8.3900 117.0026 55.3604 31.0303 176.8482 81 G 3.9262 7.6408 111.2189 44.3363 0.0000 173.7917 82 R 4.0591 7.9904 121.1170 59.2685 31.1180 178.6195 83 G 3.6619 8.1800 105.5014 47.2190 0.0000 173.5385 *90 G 4.4818 7.8609 107.3464 45.1063 0.0000 170.5119 91 P 4.7113 0.0000 0.0000 62.3593 33.1008 176.2299 92 R 4.3924 8.8241 120.6680 56.3275 27.8990 177.7449 93 T 3.9112 7.5590 106.8603 63.4561 69.3076 174.4594 94 L 4.4011 7.5191 123.4217 54.5914 44.3516 173.7125 95 D 5.2056 9.3077 127.6806 52.4503 43.7985 175.1702 96 L 5.2208 9.3684 124.1428 53.0429 44.1078 175.8064 97 D 4.9849 9.0336 123.4087 52.3594 44.8116 175.0827 98 I 4.2909 8.5690 124.3306 61.8538 37.2920 175.7002 99 M 4.4141 9.5595 128.3180 57.6474 33.0049 176.5662 100 L 5.1528 7.9126 116.7462 53.0664 46.9464 175.7676 101 F 4.6632 8.5260 122.8885 56.8480 41.5555 174.6884 102 G 3.7502 8.2088 121.9079 47.3274 0.0000 172.5356 103 N 4.8680 8.7761 122.1498 52.9034 38.8018 174.5108 104 E 4.3279 8.3781 118.8333 55.7666 30.3596 176.1920 105 V 4.5652 8.2857 121.9247 61.1253 33.3861 174.9324 106 I 4.6719 8.9944 127.8071 59.8360 40.4990 175.5543 107 N 5.0971 8.4070 121.9026 52.5987 39.3069 173.6764 108 T 4.3713 7.6849 108.8867 60.2329 71.2041 174.8398 109 E 4.0626 8.8068 120.2355 59.7834 29.2679 179.0684 110 R 4.2565 7.7731 114.2589 57.0450 31.1058 176.5964 111 L 4.4582 7.5332 120.3348 53.9659 45.1990 174.0392 112 T 5.0118 8.5380 122.3812 61.6944 71.2256 173.3226 113 V 4.6362 8.7125 126.2490 60.2250 34.6450 173.1644 114 P 4.9675 0.0000 0.0000 62.6390 32.2335 175.5956 115 H 4.3866 9.2151 122.9837 57.0791 30.1168 175.9278 116 Y 4.1575 9.0046 123.0471 59.1658 38.2253 176.0507 117 D 4.4938 7.1202 117.7354 53.4767 42.4512 176.9768 118 M 3.8429 7.7633 116.8545 58.7287 31.2481 178.1915 119 K 3.9761 7.7638 116.4250 57.6347 32.3094 176.8436 120 N 4.9232 7.8691 115.5768 52.9782 39.1530 175.3955 121 R 4.2616 7.4704 118.6914 53.4840 32.5632 176.1467 122 G 2.9836 8.1582 112.2481 47.2571 0.0000 173.8551 123 F 4.4310 7.7213 114.8868 59.0510 38.3913 176.9346 124 M 4.1048 6.7382 119.2782 57.9785 32.1949 178.2619 125 L 3.8151 7.3715 119.0495 57.1675 41.6356 179.6359 126 W 4.3395 8.0683 119.6066 59.3027 28.6345 176.8296 127 P 4.3765 0.0000 0.0000 65.7206 30.7514 178.0620 128 L 3.9074 7.8532 120.0008 58.0068 41.7840 178.8335 129 F 4.2603 8.3824 119.7187 61.0846 39.3227 176.2956 130 E 4.0213 8.2714 118.8483 58.6674 29.5859 178.0125 131 I 4.2733 7.2695 109.6113 60.9335 39.8512 175.7016 132 A 4.6708 7.9249 124.1576 50.3213 19.0395 175.3907 133 P 4.0010 0.0000 0.0000 64.7880 31.9513 177.8131 134 E 4.4827 7.8828 116.1406 55.6350 29.8667 175.6985 135 L 3.9243 7.7254 122.5865 55.1252 42.5937 175.9643 136 V 4.7168 7.8607 123.9535 60.8423 34.1175 175.3775 137 F 4.3094 9.2700 125.9932 56.3443 39.5363 174.5968 138 P 4.3555 0.0000 0.0000 65.8024 31.1248 177.2123 139 D 4.5982 8.1888 114.8027 53.3789 39.6095 177.0771 140 G 3.9883 8.4847 109.9439 45.3331 0.0000 173.8885 141 E 4.0672 8.5057 121.9543 56.1846 30.3816 175.5421 142 M 4.7763 8.5602 126.0229 54.5570 33.8467 176.9224 143 L 4.1105 8.8143 126.1944 58.5525 42.0662 179.3225 144 R 3.5658 8.0291 116.8330 59.3694 30.2296 177.7942 145 Q 4.0763 7.9788 118.7862 59.1546 29.1367 177.9515 146 I 3.6309 7.7368 120.7723 64.4604 37.0318 178.1895 147 L 4.0051 7.5566 116.9976 56.4312 41.3729 177.8869 148 H 4.7443 8.0698 114.8156 55.7670 29.7276 174.3996 149 T 4.3895 7.7474 116.3448 63.5664 70.8268 174.3200 150 R 4.2046 7.7750 119.2644 54.4052 31.9449 175.0975 151 A 4.5396 7.6941 121.4424 50.9113 20.2780 176.7728 152 F 5.0088 8.3856 119.0901 55.3138 42.2232 174.9531 153 D 4.4711 9.2052 125.4505 54.5680 41.1047 176.4854 154 K 3.4302 8.5651 123.2133 55.9162 31.8462 176.8315 155 L 4.3401 7.6960 124.5157 54.3891 42.6859 176.8465 156 N 4.8051 8.4989 119.2024 52.2816 40.4631 174.6169 157 K 4.2141 8.4730 120.2997 56.2756 32.8449 176.9236 158 W 4.3551 9.1673 133.9682 57.8918 30.2446 175.5209 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 1 T 8.03 4.17 3.89 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 0.76 0.00 0.00 2 V 7.90 3.99 1.83 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 0.38 0.00 0.00 0.76 0.00 0.00 3 A 9.46 4.87 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 4 Y 8.79 5.09 0.00 2.88 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 5 I 8.83 5.09 1.92 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 1.23 0.78 1.00 0.00 0.00 6 A 9.13 4.89 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 7 I 8.87 4.96 1.81 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 1.15 0.72 0.81 0.00 0.00 8 G 9.19 4.50 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 9 S 8.90 5.07 0.00 3.68 3.36 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 10 N 8.44 4.35 0.00 1.63 1.99 0.00 0.00 7.02 7.37 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 11 L 7.40 4.17 0.00 1.51 1.60 0.86 0.83 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 12 A 8.60 4.32 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 13 S 7.68 4.85 0.00 3.85 3.83 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 14 P 0.00 4.38 0.00 1.82 2.07 0.00 3.85 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.94 0.00 15 L 7.73 3.93 0.00 1.75 1.83 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.11 3.92 0.00 2.03 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 2.37 2.41 0.00 17 Q 7.92 3.95 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 18 V 7.76 3.43 1.85 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 0.50 0.00 0.00 0.64 0.00 0.00 19 N 8.57 4.38 0.00 2.83 2.89 0.00 0.00 6.97 7.16 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 20 A 8.29 3.97 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 21 A 8.20 3.94 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 22 L 8.15 3.93 0.00 1.92 1.78 1.14 0.61 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 23 K 8.36 3.86 0.00 1.92 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 A 7.94 4.02 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 25 L 8.36 4.19 0.00 1.88 1.74 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.95 3.69 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 0.00 0.00 0.00 27 D 7.65 4.65 0.00 2.83 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 28 I 6.93 3.69 1.91 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 1.22 0.69 0.70 0.00 0.00 29 P 0.00 4.26 0.00 2.03 1.99 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 2.03 2.13 0.00 30 E 8.92 3.89 0.00 2.15 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 2.31 2.26 0.00 31 S 7.81 5.13 0.00 3.91 3.74 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 32 H 8.54 4.90 0.00 3.14 3.31 0.00 5.26 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.29 4.11 1.89 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 1.34 0.54 0.92 0.00 0.00 34 L 9.09 4.28 0.00 1.50 1.67 0.78 0.79 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 35 T 7.60 4.73 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 1.24 0.00 0.00 36 V 8.29 4.82 2.13 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 1.01 0.00 0.00 0.99 0.00 0.00 37 S 9.03 4.65 0.00 4.35 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 38 S 9.10 4.23 0.00 3.74 3.52 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 39 F 8.41 5.40 0.00 2.91 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 40 Y 9.46 5.27 0.00 3.21 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 41 R 9.24 5.76 0.00 1.94 1.92 0.00 3.07 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.42 0.00 42 T 9.19 4.90 4.27 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 1.37 0.00 0.00 43 P 0.00 5.12 0.00 2.01 2.07 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 44 P 0.00 4.74 0.00 2.27 2.38 0.00 3.55 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.50 0.00 45 L 8.51 4.59 0.00 1.59 1.69 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.65 4.33 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 0.00 47 P 0.00 4.43 0.00 2.21 2.20 0.00 3.79 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 2.00 2.00 0.00 48 Q 7.76 4.29 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 49 D 8.50 4.47 0.00 2.67 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 50 Q 8.05 4.56 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.04 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 51 P 0.00 4.48 0.00 2.22 2.09 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 52 D 8.39 4.92 0.00 2.65 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 53 Y 9.47 4.63 0.00 2.85 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 54 L 8.76 4.93 0.00 0.27 0.90 -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.51 5.69 0.00 2.81 2.98 0.00 0.00 6.37 7.34 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 56 A 8.96 5.26 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 57 A 9.40 5.33 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 58 V 8.94 4.94 2.14 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 0.83 0.00 0.00 0.98 0.00 0.00 59 A 9.06 4.62 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 60 L 8.58 4.91 0.00 1.63 1.39 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.75 4.44 0.00 1.91 1.53 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 2.19 2.16 0.00 62 T 8.63 5.07 4.21 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 0.00 0.00 1.26 0.00 0.00 63 S 8.85 4.58 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 64 L 7.71 4.33 0.00 1.76 1.66 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.76 4.26 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 66 P 0.00 3.42 0.00 1.78 1.29 0.00 3.35 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.61 0.00 67 E 7.92 3.88 0.00 1.96 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 2.34 2.36 0.00 68 E 8.03 3.97 0.00 2.30 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 2.40 2.36 0.00 69 L 8.16 4.02 0.00 1.90 1.91 0.99 0.72 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 70 L 8.19 3.95 0.00 1.76 1.86 0.94 0.78 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 71 N 8.22 4.31 0.00 2.91 2.79 0.00 0.00 7.09 7.46 0.00 0.00 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 8.30 4.18 0.00 3.37 3.36 0.00 5.62 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 73 T 8.33 3.90 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 1.34 0.00 0.00 74 Q 8.33 4.14 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 75 R 8.20 3.86 0.00 1.85 2.11 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 76 I 8.04 3.71 2.00 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 1.54 0.66 0.92 0.00 0.00 77 E 8.36 3.96 0.00 2.20 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 2.48 2.57 0.00 78 L 7.63 4.00 0.00 1.81 1.73 0.95 0.99 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 79 Q 8.22 4.15 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 80 Q 8.39 4.59 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.38 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 81 G 7.64 3.93 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 0.00 0.00 0.00 82 R 7.99 4.06 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 83 G 8.18 3.66 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 *90 G 7.86 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.71 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 92 R 8.82 4.39 0.00 2.17 2.32 0.00 3.19 0.00 0.00 3.64 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 93 T 7.56 3.91 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 1.15 0.00 0.00 94 L 7.52 4.40 0.00 1.57 1.54 0.86 1.11 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 95 D 9.31 5.21 0.00 2.62 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 96 L 9.37 5.22 0.00 1.48 1.60 0.99 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 97 D 9.03 4.98 0.00 2.59 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 98 I 8.57 4.29 1.96 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 1.45 0.54 1.07 0.00 0.00 99 M 9.56 4.41 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 100 L 7.91 5.15 0.00 1.76 1.59 0.53 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.53 4.66 0.00 3.01 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 0.00 102 G 8.21 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 0.00 0.00 0.00 103 N 8.78 4.87 0.00 2.75 2.86 0.00 0.00 6.77 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 0.00 104 E 8.38 4.33 0.00 2.32 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 2.43 2.42 0.00 105 V 8.29 4.57 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 0.91 0.00 0.00 0.98 0.00 0.00 106 I 8.99 4.67 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.87 0.00 0.00 107 N 8.41 5.10 0.00 2.64 2.72 0.00 0.00 7.03 7.54 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 0.00 108 T 7.68 4.37 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 1.18 0.00 0.00 109 E 8.81 4.06 0.00 1.95 2.05 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 0.00 2.30 2.28 0.00 110 R 7.77 4.26 0.00 1.77 1.96 0.00 3.20 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 111 L 7.53 4.46 0.00 1.61 1.42 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.54 5.01 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 1.26 0.00 0.00 113 V 8.71 4.64 2.14 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 0.98 0.00 0.00 0.98 0.00 0.00 114 P 0.00 4.97 0.00 2.10 2.20 0.00 3.84 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 2.19 2.24 0.00 115 H 9.22 4.39 0.00 3.45 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.00 4.16 0.00 3.13 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 0.00 117 D 7.12 4.49 0.00 1.58 2.13 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 0.00 118 M 7.76 3.84 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 119 K 7.76 3.98 0.00 1.56 1.66 0.00 1.40 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.59 1.02 7.81 120 N 7.87 4.92 0.00 2.89 2.82 0.00 0.00 6.72 7.20 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 0.00 121 R 7.47 4.26 0.00 1.11 0.66 0.00 2.76 0.00 0.00 2.82 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.54 0.00 122 G 8.16 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 0.00 0.00 0.00 123 F 7.72 4.43 0.00 3.18 3.21 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 0.00 0.00 0.00 124 M 6.74 4.10 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.50 0.00 125 L 7.37 3.82 0.00 0.87 1.15 0.41 0.74 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 0.00 126 W 8.07 4.34 0.00 3.07 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 0.00 127 P 0.00 4.38 0.00 2.43 2.50 0.00 3.59 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 128 L 7.85 3.91 0.00 1.82 1.82 0.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.38 4.26 0.00 2.94 3.36 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 0.00 130 E 8.27 4.02 0.00 2.27 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 0.00 2.39 2.41 0.00 131 I 7.27 4.27 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.89 1.00 0.00 0.00 132 A 7.92 4.67 1.01 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 0.00 133 P 0.00 4.00 0.00 1.99 1.52 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 134 E 7.88 4.48 0.00 1.96 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 2.23 2.22 0.00 135 L 7.73 3.92 0.00 1.59 1.32 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.86 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 1.00 0.00 0.00 0.99 0.00 0.00 137 F 9.27 4.31 0.00 3.32 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 0.00 138 P 0.00 4.36 0.00 2.12 2.20 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 139 D 8.19 4.60 0.00 2.77 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 0.00 140 G 8.48 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 0.00 0.00 0.00 141 E 8.51 4.07 0.00 2.25 1.85 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 2.27 2.25 0.00 142 M 8.56 4.78 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 143 L 8.81 4.11 0.00 1.76 1.83 0.92 0.96 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 0.00 144 R 8.03 3.57 0.00 2.10 2.02 0.00 3.37 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 145 Q 7.98 4.08 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 146 I 7.74 3.63 1.91 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.52 0.87 0.00 0.00 147 L 7.56 4.01 0.00 1.20 0.99 -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.07 4.74 0.00 3.22 3.30 0.00 5.60 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 0.00 149 T 7.75 4.39 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 1.17 0.00 0.00 150 R 7.78 4.20 0.00 1.84 1.11 0.00 2.79 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 151 A 7.69 4.54 1.13 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 0.00 0.00 152 F 8.39 5.01 0.00 3.02 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 0.00 153 D 9.21 4.47 0.00 2.84 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 0.00 154 K 8.57 3.43 0.00 1.62 1.50 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.87 1.03 7.81 155 L 7.70 4.34 0.00 1.81 1.96 1.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.50 4.81 0.00 2.70 2.72 0.00 0.00 7.07 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 0.00 157 K 8.47 4.21 0.00 1.57 1.72 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.26 7.81 158 W 9.17 4.36 0.00 3.53 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 * Residues marked with a * may have inaccurate shift predictions.