NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.4766 7.8676 121.4011 61.3910 39.1958 175.4333 3 D 4.8382 8.6385 126.9202 50.1257 40.8695 172.9531 4 V 3.9470 8.6963 118.1889 61.8276 31.7529 179.7022 *6 Q 4.1860 8.3191 120.2406 57.3308 30.7505 177.4787 7 I 3.6553 8.0767 118.8867 64.7260 37.1755 178.4423 8 Q 3.8670 8.0903 117.4419 58.6298 28.5605 177.6301 9 E 4.1086 8.0708 117.0995 57.4569 30.0380 176.4706 10 I 4.0024 8.1034 117.2018 63.1898 38.9580 176.0746 11 L 4.3298 7.4608 118.9572 53.5503 42.2693 175.5307 12 P 4.4642 0.0000 0.0000 64.5430 32.0196 176.5764 13 H 4.3599 8.2730 116.5579 56.1593 29.3756 174.4180 14 R 4.8060 8.2047 120.3251 53.9099 34.1990 173.9971 15 Y 4.4814 8.6495 120.2111 57.9302 39.0092 173.9163 16 P 4.1677 0.0000 0.0000 62.6163 31.8084 175.1693 17 F 4.5202 8.4586 119.8834 58.6485 39.8157 174.4488 18 L 4.5318 8.1720 121.7735 53.4203 42.0948 175.1278 19 L 4.6918 8.2717 126.1480 54.1677 42.2495 176.4190 20 V 4.4890 7.5835 117.9378 61.3171 33.6869 174.8002 21 D 4.5991 8.8505 127.5341 56.3346 41.8195 176.9060 22 K 4.2214 7.2645 116.1689 55.3656 35.5961 173.9809 23 I 4.7565 8.5071 128.5060 60.2070 37.7804 175.7010 24 T 4.3882 8.9003 118.2372 63.2076 70.1860 174.9263 25 E 4.7532 7.9416 121.8361 54.7213 33.5021 173.9971 26 L 4.8877 8.4922 128.0443 54.0494 44.8591 174.9733 27 K 4.5929 9.0411 127.5819 54.2976 34.0218 176.7297 28 V 3.7430 8.5556 118.4907 63.2834 31.9212 176.9167 29 K 4.6000 9.1552 121.3253 57.3085 29.1345 175.5523 30 E 4.6602 7.5556 117.0094 56.5884 32.6931 175.0829 31 V 5.0752 8.3546 117.0444 60.4616 35.5575 173.3781 32 V 4.9723 8.4227 120.7970 60.0597 34.4994 174.4577 33 L 5.0838 9.2824 123.4451 53.2230 44.9897 175.9186 34 G 4.7772 8.8764 109.0864 45.9219 0.0000 170.6186 35 Y 5.2713 8.8200 117.3478 55.4696 42.2167 173.7910 36 K 4.9983 8.6403 120.5151 54.4682 35.3500 174.8487 37 N 4.7779 9.7369 126.0136 53.4159 39.4029 174.4249 38 I 4.4166 8.4405 124.6586 59.7055 39.5693 174.7778 39 S 4.9532 8.5093 120.2639 56.4756 65.9534 174.4092 40 I 4.0192 8.4558 117.5375 62.1742 37.4999 176.7393 41 S 4.3558 8.2785 115.8926 59.4330 63.2097 173.6363 42 D 4.6528 8.3679 123.5344 53.8024 41.4792 176.6111 43 H 4.2951 8.9941 122.4359 58.6445 28.9081 176.9126 44 V 3.5089 7.2577 112.8564 64.3407 31.9334 177.1750 45 F 4.5096 7.2626 118.8330 57.1594 37.0288 175.8987 *47 G 3.8706 7.7023 109.8555 45.4563 0.0000 171.5303 48 H 3.8723 8.0874 122.7877 54.9105 28.9621 176.4072 49 F 4.8121 8.3507 119.4667 57.3683 37.4800 171.7232 50 P 4.3501 0.0000 0.0000 64.1646 31.5101 177.0184 51 G 3.9880 9.7038 110.0983 46.2736 0.0000 173.9735 52 H 4.9161 8.3401 117.5731 54.4955 31.5739 169.7533 53 P 4.8195 0.0000 0.0000 62.6858 32.0646 176.8204 54 I 4.9498 8.3977 125.4066 59.1676 40.4161 174.8817 55 Y 4.1995 9.2947 129.5110 56.7378 39.4484 173.9247 56 P 3.8275 0.0000 0.0000 62.5333 32.2533 176.8507 57 G 3.2264 8.6646 110.5327 48.2072 0.0000 175.9515 58 V 3.7263 7.4279 114.3202 63.8662 31.5022 178.5039 59 L 3.9106 7.5950 118.6994 57.2439 41.0648 179.4842 60 I 3.9621 7.4299 119.4709 64.4310 37.1636 177.8538 61 L 4.1180 7.9963 118.0615 57.9566 41.7881 178.7849 62 E 4.0760 8.0977 119.0924 58.8768 29.4731 179.5202 63 G 3.6951 8.1744 104.2765 44.5873 0.0000 174.9919 *65 A 3.3871 7.9975 125.8377 51.5369 20.7170 180.0939 66 Q 3.8092 7.5733 114.8133 59.1181 28.7369 178.8984 67 T 3.8389 7.5507 116.9741 66.5509 68.3900 176.9496 68 G 3.3164 7.7554 107.2012 47.2976 0.0000 175.6968 69 G 3.6815 7.9106 107.9597 48.0130 0.0000 176.2524 70 V 3.8465 7.6460 114.8425 63.7174 31.2914 178.3533 71 L 3.9116 7.6025 118.8775 58.0945 42.1397 178.5051 72 A 3.0521 7.8604 120.6402 55.1638 18.0222 179.6290 73 F 4.1852 8.0634 114.9059 60.4047 39.0377 176.8602 74 E 4.5588 7.9314 115.5507 56.5523 29.5618 176.6339 75 S 4.7496 8.0288 115.4514 58.3141 64.6544 174.4182 *83 K 4.1865 7.9818 116.4775 57.1965 33.4466 177.0180 84 S 4.5537 7.6107 114.6474 56.5391 61.4762 171.9151 85 K 4.4069 7.5604 122.8609 55.9193 35.0696 174.8388 86 V 4.6629 7.8224 117.3285 61.2311 35.1453 174.6565 87 V 4.3049 8.5428 126.0530 61.4955 32.4690 173.5920 88 Y 4.9072 8.3448 129.8383 56.0430 40.5084 174.3827 89 F 4.4542 9.0627 126.5927 57.0651 39.0884 175.4044 90 T 4.0877 8.0944 116.3005 61.7526 69.8752 175.0560 91 G 4.3463 7.7011 108.7217 45.2407 0.0000 172.0717 92 I 5.3447 8.2758 122.5909 59.4597 41.0424 174.1971 93 D 4.6305 9.0529 124.7047 52.7297 45.5385 174.8475 94 G 4.1328 8.6709 109.1352 46.3549 0.0000 172.7950 95 A 4.4270 7.8361 119.7581 51.2116 19.6879 178.3438 96 K 4.3055 8.7416 121.3914 54.4252 36.5393 175.2541 97 F 4.9902 8.4578 122.4498 56.3243 40.5187 174.4439 98 R 4.4244 9.7732 123.6175 56.2897 30.3067 175.9395 99 N 5.1649 7.7973 118.1428 50.3481 42.4309 172.8221 100 P 4.5313 0.0000 0.0000 63.2028 32.3511 175.4706 101 V 4.6139 8.4687 121.0326 61.4701 34.0655 174.5577 102 R 5.0339 9.6006 125.5891 53.2385 34.5184 173.2309 103 P 4.2144 0.0000 0.0000 64.5920 31.6251 176.7257 104 G 4.0158 8.9448 111.1703 45.3001 0.0000 173.7119 105 D 4.5407 8.0183 120.0743 53.9383 42.3237 175.6277 106 R 4.4416 8.3480 123.1921 55.2123 31.2068 175.5233 107 L 4.3943 8.6667 130.3989 54.0752 43.0136 174.7418 108 D 5.1015 9.3011 128.0454 53.6618 42.3835 175.3948 109 Y 5.3049 9.2340 121.6615 56.7655 40.5136 174.6833 110 E 5.0013 9.3313 121.8372 54.8178 34.8712 174.4878 *112 S 4.7328 8.3599 114.9861 58.6273 64.7769 173.6564 113 V 4.0735 8.7207 124.2208 62.9024 31.1617 175.7803 114 V 4.0764 8.9063 128.9928 64.6163 32.5571 176.2897 115 K 4.6727 7.6358 117.5758 54.6309 36.8132 175.1741 116 N 4.5923 8.3233 120.8888 51.8973 41.7404 173.7684 117 R 4.1965 7.9562 125.8837 54.9189 33.4222 176.4290 118 G 3.7100 8.5470 116.6020 47.0319 0.0000 174.7429 119 N 4.5967 8.8079 117.3313 51.4340 37.5677 174.2558 *121 W 4.5152 7.4212 118.7435 56.4419 31.8138 175.8245 122 I 5.0223 8.2158 123.9123 59.5437 39.9644 174.4781 123 F 5.4421 9.6250 125.7881 55.5376 42.3830 174.2985 124 K 4.6639 9.1402 124.6809 55.4316 33.0530 176.0388 125 G 4.4131 9.2912 114.8165 44.6472 0.0000 171.6259 126 Q 5.1816 9.3205 120.9968 53.8855 33.8590 173.7650 127 A 5.3418 8.7897 123.7982 50.2433 22.2262 175.2527 128 F 5.3269 9.4115 119.8088 55.6186 43.7407 174.6759 129 V 4.5503 8.3774 120.2721 61.3766 34.2757 175.2563 130 D 4.0975 9.7398 129.2732 55.5892 38.1823 175.0594 131 G 3.7293 8.4734 104.3277 45.7343 0.0000 173.4749 132 N 4.8972 7.9576 118.4717 50.9552 39.4952 174.4629 133 L 3.6427 8.8638 125.6635 55.6488 42.6299 176.5868 134 V 4.4830 8.7707 118.0547 61.8786 34.9012 175.3260 135 A 5.2252 7.5789 119.9519 50.8759 22.7700 174.8509 136 E 5.0788 8.4227 115.8613 55.6781 33.4110 173.8241 137 A 4.8688 8.4257 120.7614 52.2852 23.7752 174.5485 138 E 5.0753 8.8753 121.0045 54.6135 31.8665 174.6158 139 L 5.3223 9.1884 127.1986 52.9413 44.9077 175.1493 140 K 5.0768 9.3098 124.8031 55.0544 34.4299 174.9531 141 A 5.1435 8.4924 128.8615 49.2520 22.0161 174.7517 *143 I 4.1613 8.2672 114.1925 61.5946 38.5863 176.4245 144 V 4.0918 8.9083 125.0085 63.2129 31.3917 174.8701 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 2 I 7.87 4.48 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.89 0.00 0.00 3 D 8.64 4.84 0.00 2.87 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 4 V 8.70 3.95 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 0.85 0.00 0.00 0.96 0.00 0.00 *6 Q 8.32 4.19 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 7 I 8.08 3.66 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 0.87 0.00 0.00 8 Q 8.09 3.87 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 9 E 8.07 4.11 0.00 1.87 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 2.28 2.27 0.00 10 I 8.10 4.00 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.69 0.00 0.00 11 L 7.46 4.33 0.00 1.63 1.66 0.86 1.21 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 12 P 0.00 4.46 0.00 2.19 2.18 0.00 3.99 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 2.04 2.07 0.00 13 H 8.27 4.36 0.00 3.17 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.20 4.81 0.00 1.83 1.85 0.00 3.38 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 15 Y 8.65 4.48 0.00 2.92 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 16 P 0.00 4.17 0.00 1.89 1.00 0.00 3.65 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 17 F 8.46 4.52 0.00 2.83 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 18 L 8.17 4.53 0.00 1.59 1.64 0.91 1.07 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 19 L 8.27 4.69 0.00 1.50 1.63 0.38 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.58 4.49 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 0.88 0.00 0.00 0.73 0.00 0.00 21 D 8.85 4.60 0.00 2.52 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 22 K 7.26 4.22 0.00 1.47 0.74 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.32 7.81 23 I 8.51 4.76 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 1.00 0.00 0.00 24 T 8.90 4.39 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 1.39 0.00 0.00 25 E 7.94 4.75 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 26 L 8.49 4.89 0.00 1.66 1.53 0.96 0.60 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 27 K 9.04 4.59 0.00 1.77 1.75 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.42 7.81 28 V 8.56 3.74 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 0.93 0.00 0.00 0.98 0.00 0.00 29 K 9.16 4.60 0.00 2.01 2.03 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.59 7.81 30 E 7.56 4.66 0.00 2.25 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 0.00 2.26 2.27 0.00 31 V 8.35 5.08 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 0.77 0.00 0.00 1.01 0.00 0.00 32 V 8.42 4.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 33 L 9.28 5.08 0.00 1.61 1.66 0.96 0.93 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 34 G 8.88 4.78 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 0.00 0.00 0.00 35 Y 8.82 5.27 0.00 2.94 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 36 K 8.64 5.00 0.00 2.18 1.62 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.54 7.81 37 N 9.74 4.78 0.00 2.82 2.77 0.00 0.00 6.95 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 38 I 8.44 4.42 1.84 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.55 0.88 0.00 0.00 39 S 8.51 4.95 0.00 3.85 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 40 I 8.46 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.51 0.72 0.00 0.00 41 S 8.28 4.36 0.00 4.02 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 42 D 8.37 4.65 0.00 3.13 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 43 H 8.99 4.30 0.00 3.33 3.51 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.26 3.51 1.58 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 0.37 0.00 0.00 0.28 0.00 0.00 45 F 7.26 4.51 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 G 7.70 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 48 H 8.09 3.87 0.00 2.74 2.88 0.00 5.55 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 49 F 8.35 4.81 0.00 3.50 3.37 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 50 P 0.00 4.35 0.00 2.11 2.10 0.00 4.00 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 51 G 9.70 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 52 H 8.34 4.92 0.00 3.04 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.82 0.00 1.50 1.91 0.00 3.78 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 1.84 1.85 0.00 54 I 8.40 4.95 2.07 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 1.16 0.65 1.05 0.00 0.00 55 Y 9.29 4.20 0.00 3.12 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 56 P 0.00 3.83 0.00 1.65 1.45 0.00 2.50 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 1.52 1.14 0.00 57 G 8.66 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 0.00 0.00 0.00 58 V 7.43 3.73 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 0.92 0.00 0.00 0.82 0.00 0.00 59 L 7.60 3.91 0.00 1.11 1.39 0.51 0.63 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 60 I 7.43 3.96 2.15 0.00 0.00 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 1.83 0.73 1.10 0.00 0.00 61 L 8.00 4.12 0.00 1.78 1.72 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.10 4.08 0.00 2.07 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 1.98 2.23 0.00 63 G 8.17 3.70 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 *65 A 8.00 3.39 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.57 3.81 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 67 T 7.55 3.84 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 1.19 0.00 0.00 68 G 7.76 3.32 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 0.00 69 G 7.91 3.68 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 0.00 70 V 7.65 3.85 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 0.85 0.00 0.00 0.98 0.00 0.00 71 L 7.60 3.91 0.00 1.67 1.87 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.86 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.06 4.19 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 74 E 7.93 4.56 0.00 1.99 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 2.56 2.52 0.00 75 S 8.03 4.75 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 K 7.98 4.19 0.00 1.76 1.95 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.35 7.81 84 S 7.61 4.55 0.00 3.84 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 85 K 7.56 4.41 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.46 7.81 86 V 7.82 4.66 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 1.09 0.00 0.00 0.98 0.00 0.00 87 V 8.54 4.30 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 0.67 0.00 0.00 -0.15 0.00 0.00 88 Y 8.34 4.91 0.00 3.03 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 89 F 9.06 4.45 0.00 3.02 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 90 T 8.09 4.09 4.09 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 0.00 0.00 0.00 0.75 0.00 0.00 91 G 7.70 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.28 5.34 1.90 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 1.28 0.76 0.92 0.00 0.00 93 D 9.05 4.63 0.00 2.71 2.44 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 94 G 8.67 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 0.00 0.00 0.00 0.00 95 A 7.84 4.43 1.05 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 0.00 0.00 0.00 0.00 0.00 96 K 8.74 4.31 0.00 1.49 1.52 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.27 7.81 97 F 8.46 4.99 0.00 2.96 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 98 R 9.77 4.42 0.00 1.74 1.89 0.00 3.27 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 99 N 7.80 5.16 0.00 2.70 2.72 0.00 0.00 6.89 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 0.00 100 P 0.00 4.53 0.00 2.13 2.12 0.00 3.77 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 2.03 2.02 0.00 101 V 8.47 4.61 2.29 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 1.09 0.00 0.00 1.02 0.00 0.00 102 R 9.60 5.03 0.00 1.62 1.68 0.00 3.36 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 103 P 0.00 4.21 0.00 1.79 1.77 0.00 3.37 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.00 104 G 8.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.02 4.54 0.00 2.67 2.53 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 0.00 0.00 0.00 106 R 8.35 4.44 0.00 1.64 1.65 0.00 2.21 0.00 0.00 2.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.49 0.00 107 L 8.67 4.39 0.00 1.62 1.46 0.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.30 5.10 0.00 2.69 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 0.00 109 Y 9.23 5.30 0.00 3.08 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 0.00 110 E 9.33 5.00 0.00 2.03 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 2.37 2.57 0.00 *112 S 8.36 4.73 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.72 4.07 2.15 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 0.69 0.00 0.00 1.23 0.00 0.00 114 V 8.91 4.08 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 0.81 0.00 0.00 0.97 0.00 0.00 115 K 7.64 4.67 0.00 1.55 1.48 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.30 7.81 116 N 8.32 4.59 0.00 2.00 2.25 0.00 0.00 6.71 7.65 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 0.00 117 R 7.96 4.20 0.00 1.58 1.60 0.00 3.35 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 118 G 8.55 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.81 4.60 0.00 2.70 2.82 0.00 0.00 6.77 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 *121 W 7.42 4.52 0.00 3.04 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 0.00 122 I 8.22 5.02 1.79 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 1.20 0.57 0.93 0.00 0.00 123 F 9.62 5.44 0.00 3.04 3.10 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 0.00 0.00 0.00 124 K 9.14 4.66 0.00 1.83 1.81 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 125 G 9.29 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 0.00 0.00 0.00 0.00 126 Q 9.32 5.18 0.00 2.08 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 127 A 8.79 5.34 1.21 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 0.00 0.00 128 F 9.41 5.33 0.00 2.95 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 0.00 129 V 8.38 4.55 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 1.01 0.00 0.00 0.92 0.00 0.00 130 D 9.74 4.10 0.00 2.84 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 0.00 131 G 8.47 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 0.00 132 N 7.96 4.90 0.00 3.12 2.83 0.00 0.00 6.61 6.77 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 0.00 133 L 8.86 3.64 0.00 1.62 1.52 0.84 0.28 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 0.00 134 V 8.77 4.48 2.25 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 0.82 0.00 0.00 0.95 0.00 0.00 135 A 7.58 5.23 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 0.00 136 E 8.42 5.08 0.00 2.05 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 2.08 2.17 0.00 137 A 8.43 4.87 1.17 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 0.00 138 E 8.88 5.08 0.00 2.05 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 2.45 2.31 0.00 139 L 9.19 5.32 0.00 2.10 1.93 0.70 0.85 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 0.00 140 K 9.31 5.08 0.00 1.80 1.66 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.35 7.81 141 A 8.49 5.14 0.38 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 *143 I 8.27 4.16 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.94 0.00 0.00 144 V 8.91 4.09 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 0.72 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.