NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6041 8.3649 119.5483 52.9023 42.2559 175.5852 2 I 4.0965 7.5687 120.3882 60.0084 38.2083 173.8903 3 Q 4.6784 10.7000 128.0962 54.5915 31.4612 174.0845 4 M 5.1382 8.6827 122.6566 53.8978 34.5802 175.2904 5 T 4.6639 9.2579 121.0027 62.0458 70.9466 172.7976 6 Q 5.3138 9.4962 129.1441 54.2712 31.2092 174.9491 7 S 4.9249 8.8141 119.6213 56.1114 66.9286 172.1674 8 P 5.0501 0.0000 0.0000 61.6281 33.2398 176.2602 9 S 4.4568 8.7018 112.8582 61.0423 63.7084 174.0804 10 S 5.3298 7.5795 112.0809 56.1904 66.7267 172.7506 11 L 4.4128 8.0131 117.5821 54.3963 45.8858 172.9338 12 S 5.3893 8.9056 119.8044 56.6094 65.2583 172.6471 13 A 4.8052 8.8364 126.9439 50.4709 23.2161 175.6599 14 S 4.9796 8.7646 115.3259 56.8566 64.7719 174.0677 15 V 3.7955 8.4250 121.4012 63.4771 32.1044 175.2729 16 G 3.9791 8.6102 111.7307 46.7175 0.0000 172.9696 17 D 4.8557 7.3106 116.1005 52.4033 43.8404 176.0807 18 R 4.8876 8.1904 120.0284 54.7902 31.5314 175.6202 19 V 4.4450 8.4325 124.1116 61.4015 35.2571 174.2616 20 T 4.7666 8.4582 122.9074 62.0077 71.5875 173.0411 21 I 4.6862 8.5173 128.4241 59.9303 39.4462 175.7009 22 T 5.0770 8.3831 116.5848 60.7834 72.2454 173.2840 23 C 5.0946 9.4098 122.2681 56.3751 43.3050 172.3067 24 S 5.3083 9.7241 122.9165 56.9808 64.0213 172.4580 25 A 5.0383 8.7149 128.4965 50.2532 20.5011 176.3405 26 S 4.2037 8.8297 118.0493 61.0006 62.5632 174.6347 27 S 4.6001 7.7726 117.6742 56.3706 63.5964 173.7332 28 S 4.4443 8.7142 121.2749 58.9515 63.6792 174.3231 29 V 4.3545 7.8466 121.2792 60.1772 33.1897 175.8827 30 T 3.9323 9.6290 120.6695 64.5281 67.7498 174.3869 31 Y 5.0894 8.2807 117.6507 56.4818 43.0619 173.8740 32 M 4.7293 8.2398 121.7373 53.8282 35.3141 173.8530 33 Y 5.1282 9.1073 122.5335 55.9232 42.8257 174.4929 34 W 5.0180 9.3966 121.7318 55.3765 32.4434 174.1787 35 Y 5.1505 9.1898 122.8436 56.3813 40.7070 174.7855 36 Q 4.4092 9.4625 123.1398 54.3209 32.6696 173.5311 37 Q 4.6236 9.0787 128.3211 54.2444 31.5110 174.8485 38 K 4.5823 8.5201 125.9235 54.6853 34.2609 174.7745 39 P 4.2062 0.0000 0.0000 64.3857 31.4027 176.2683 40 G 3.9160 8.9382 112.1978 46.6741 0.0000 173.4659 41 K 4.4351 7.7648 119.8508 52.2878 33.4523 180.4873 42 A 4.2447 8.1067 121.9633 51.6166 19.0481 175.8447 43 P 4.6121 0.0000 0.0000 62.9496 32.4204 176.1607 44 K 4.6788 8.7868 122.7527 54.4987 35.6492 175.0273 45 L 3.9564 8.8256 129.8038 55.4709 42.3279 175.4299 46 L 4.4719 9.4455 126.6772 56.1915 43.1813 176.0636 47 I 5.1541 7.8722 119.2620 59.7036 40.4950 173.7563 48 Y 5.0103 8.7583 122.9249 55.8219 41.7757 175.2220 49 D 4.0622 9.0355 117.7728 55.7340 39.1810 173.3753 50 T 3.9772 8.9403 117.4501 63.7287 65.8254 172.9961 51 S 5.1936 7.2968 109.6512 56.9771 65.1276 173.4561 52 N 4.3246 7.7860 119.4155 52.5525 38.9785 174.7406 53 L 4.5494 8.4775 124.9481 54.4040 42.3138 177.2822 54 A 4.3841 9.1469 126.9364 51.9572 19.7330 176.7915 55 S 4.2201 8.6012 115.1270 59.8650 62.9052 174.7806 56 G 3.9665 9.0164 115.7120 45.0207 0.0000 173.2824 57 V 3.8559 7.2302 119.8476 61.2338 32.2714 174.0168 58 P 4.4550 0.0000 0.0000 62.7802 31.7457 177.4402 59 S 4.2756 8.8259 116.6701 61.1945 63.0497 175.8128 60 R 4.1499 7.8132 117.3706 58.0663 30.5041 176.4142 61 F 4.7189 7.9990 119.7057 56.8044 39.5802 175.3264 62 S 4.7909 8.9918 118.3001 56.5252 67.2018 173.0338 63 G 4.4779 8.2298 105.6039 45.0337 0.0000 171.6662 64 S 5.0471 8.8513 117.2004 56.3086 66.8536 172.8265 65 G 4.3291 8.3103 112.2171 46.2585 0.0000 173.6545 66 S 4.2818 8.0946 113.5437 58.1287 63.3724 173.7354 67 G 4.0359 8.3135 120.3801 45.4159 0.0000 172.3015 68 T 4.5532 7.2484 112.3513 60.5952 70.8336 172.5257 69 D 5.2862 7.5927 120.9739 52.7968 43.8604 174.4728 70 Y 5.1935 8.9754 121.0629 56.5205 41.6811 175.2400 71 T 5.0350 9.0548 116.5456 60.6702 70.5639 172.7833 72 F 4.0301 8.2433 132.0599 58.1439 41.0345 174.5710 73 T 4.8868 6.7709 119.9899 61.9779 73.2490 172.6410 74 I 4.3013 7.8716 127.5223 59.5030 38.8958 176.5838 75 S 4.0035 8.7152 123.5991 60.0358 64.3051 173.9179 76 S 4.7690 7.1947 113.3691 55.3755 61.5497 172.4309 77 L 3.9694 8.7263 123.9951 55.9457 43.3778 176.3601 78 Q 4.8384 9.9393 126.5840 53.4931 30.5992 175.1624 79 P 4.1955 0.0000 0.0000 65.5023 31.0146 176.6228 80 E 4.6380 8.0614 114.8779 56.3192 29.9675 175.7198 81 D 5.0292 8.2055 117.4191 54.8596 41.1192 178.2187 82 I 3.5248 7.9678 120.8549 63.5807 38.1869 175.1979 83 A 4.3731 8.2558 122.1024 52.2513 20.1814 175.9118 84 T 5.0242 8.3108 114.1052 62.9828 70.5169 174.1875 85 Y 4.9190 8.7197 123.0324 56.4241 41.1907 174.1996 86 Y 5.4671 9.0739 121.7650 56.1450 41.2918 173.1794 87 C 4.2190 9.2385 119.0658 55.2553 41.8791 172.3650 88 Q 4.9853 8.7889 121.2628 54.4753 32.4675 173.2798 89 Q 5.1019 9.1327 124.7517 54.2439 31.1874 174.4925 90 W 5.0261 9.3211 134.0002 56.6582 33.1234 175.0381 91 S 3.8403 7.6959 116.9101 58.1713 67.4955 176.2148 92 S 3.2384 8.4580 117.4995 59.6085 60.4467 172.6634 93 H 4.3411 6.9925 112.9478 55.8254 27.1971 175.1665 94 I 4.4842 7.2684 113.6529 58.7607 39.8020 174.4488 95 F 5.3913 8.5537 121.2361 56.8844 40.7609 175.3707 96 T 4.7109 8.9262 118.2925 62.0435 72.3284 173.4855 97 F 4.9986 9.0452 124.7705 56.6816 40.6631 175.8151 98 G 4.1183 9.0553 109.8688 45.6730 0.0000 173.9374 99 Q 4.2706 8.8198 117.9830 56.8629 29.1290 178.0858 100 G 3.9075 8.8853 101.9789 45.3142 0.0000 173.0304 101 T 5.1085 7.8704 117.2961 60.6330 72.1387 174.1896 102 K 4.5115 8.6804 131.0143 54.6929 32.9441 172.6572 103 V 4.8876 8.5721 125.7894 60.3311 33.6316 174.5454 104 E 4.9866 9.2401 125.9224 54.8573 34.5378 174.1207 105 I 4.9687 8.8892 124.6287 60.3511 38.8361 176.4873 106 K 4.9871 8.9678 131.0206 53.9753 33.0657 173.7443 107 R 4.5230 7.4305 120.4240 53.2541 32.7616 174.5664 108 T 4.0197 8.2202 107.5498 61.4186 69.0926 174.1838 109 V 3.8108 8.4513 123.2360 63.2842 32.0784 174.9648 110 A 4.9513 8.6676 127.4736 49.9539 22.0110 175.0148 111 A 4.5317 8.7769 124.3245 51.0599 19.5217 175.5411 112 P 5.2076 0.0000 0.0000 62.1059 32.9911 176.6904 113 S 4.6486 8.2986 114.7052 55.4314 62.6370 172.1435 114 V 4.3821 8.0603 125.8708 63.8777 31.9854 174.5928 115 F 5.3765 9.0900 128.1706 56.5251 42.2572 175.0011 116 I 4.8831 8.4823 122.8250 59.6834 39.0059 176.9155 *117 F 4.6541 8.8590 125.4373 55.6717 41.2796 172.4244 118 P 5.0051 0.0000 0.0000 59.7829 33.2446 173.8189 119 P 4.2884 0.0000 0.0000 64.0945 31.6726 176.9365 120 S 4.6597 8.3412 121.2874 58.1699 67.5100 172.0852 121 D 4.1655 8.1360 125.3962 54.7043 40.1298 176.7195 122 E 3.1296 8.3756 110.3924 57.5041 31.4232 178.2563 123 Q 4.5657 9.0318 116.3402 55.7691 29.3151 179.8850 124 L 4.2761 7.5706 121.6873 54.8137 40.0656 179.2223 *128 T 4.0695 7.3233 112.3572 60.2526 70.5945 175.6930 129 A 4.2435 8.3244 123.0129 53.0381 19.0449 176.5670 130 S 4.9878 8.8328 119.8946 57.7752 63.7828 173.4450 131 V 4.3258 8.8484 128.9393 60.8048 33.5715 174.7155 132 V 4.2925 8.6693 126.9380 60.3858 33.1292 172.5220 133 C 4.9390 8.7699 126.2682 58.7856 34.6169 173.3287 134 L 4.7982 9.0153 129.0589 53.3373 43.6017 172.0830 135 L 4.8492 8.3264 119.7108 53.0614 45.4087 175.0555 136 N 4.7603 8.5449 122.5171 53.4374 41.6392 174.2790 137 N 3.9723 8.9816 114.2902 53.8674 35.6302 172.5401 138 F 5.0179 8.4641 119.2206 55.2956 41.6195 174.9340 139 Y 4.6709 8.3539 127.2956 57.0969 37.8663 178.6782 140 P 3.4364 0.0000 0.0000 63.4945 26.6944 174.6651 141 R 4.0956 7.9561 123.5272 56.4549 27.7097 174.9383 142 E 4.5694 8.3800 118.9699 54.4531 34.4543 173.4990 *156 G 4.0538 8.8163 116.1774 45.2205 0.0000 175.7253 157 N 4.7722 9.2599 118.3279 50.6280 37.2897 174.3702 158 S 4.6324 8.0716 120.1851 57.4478 65.9869 174.2192 159 Q 4.7571 8.8311 127.4120 52.9973 30.4574 172.0409 160 E 5.8061 8.7315 121.7449 52.9176 32.9593 175.3493 161 S 4.5773 8.1987 110.8544 57.5549 65.8700 174.0676 162 V 4.6444 8.3938 123.5539 61.5594 33.2083 175.4058 163 T 4.3733 8.3827 123.5924 62.8725 69.4807 173.9799 164 E 4.3848 8.6136 124.1194 55.8450 30.7687 175.9897 165 Q 3.7890 8.7499 124.3145 55.8672 29.5423 175.6564 166 D 4.4874 8.4356 125.3725 54.2769 41.8954 177.2778 167 S 4.2483 8.6254 121.9731 60.8434 63.4691 175.3694 168 K 4.4006 8.3020 118.5292 55.9244 33.8341 181.8882 169 D 4.6317 8.6770 116.2996 52.3072 39.7883 176.2565 170 S 3.7648 8.0616 113.9300 58.7981 60.6148 171.3988 171 T 4.3629 7.5992 107.6257 60.1241 72.7410 172.1783 172 Y 4.7329 7.4850 119.5925 56.7855 41.5044 175.2815 173 S 5.2061 8.1458 117.8999 58.4870 67.1160 175.7034 174 L 4.7029 9.0096 127.1255 53.9291 43.7082 172.4191 175 S 4.8679 8.1801 106.7270 59.6818 63.8198 173.9765 176 S 5.0127 8.5134 120.4288 57.5074 64.6405 172.4730 177 T 4.9670 8.8197 122.6185 62.4578 72.8331 173.5703 178 L 4.6982 8.9879 131.1078 54.8105 42.0893 175.0027 179 T 5.6523 8.4584 118.6548 59.9080 70.8966 171.0635 *195 V 3.8500 7.7895 123.2057 63.2142 33.6804 180.0004 196 T 4.4571 8.5550 118.0211 58.2807 70.4589 169.0496 197 H 5.0230 8.4528 128.5431 53.6621 33.0461 175.2694 198 Q 3.8154 8.2655 122.0875 57.9217 28.1059 178.9851 199 G 3.8727 7.8007 105.2365 46.7252 0.0000 173.0204 200 L 4.6545 7.2786 122.8045 53.5811 43.2757 177.6297 201 S 4.2820 8.8917 122.7032 60.8361 62.6866 172.4353 202 S 4.7058 7.6402 115.5242 55.3528 65.3184 174.1932 203 P 4.3414 0.0000 0.0000 62.3356 31.7653 176.5545 204 V 4.6012 8.0447 122.9072 60.7267 35.1543 175.6216 205 T 4.5303 8.4422 119.2804 60.7863 71.6349 174.8557 206 K 4.2133 8.5088 127.9660 53.7808 32.9089 172.7813 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 D 8.36 4.60 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.57 4.10 1.84 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 1.29 0.79 0.98 0.00 0.00 3 Q 10.70 4.68 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 4 M 8.68 5.14 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 5 T 9.26 4.66 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 1.26 0.00 0.00 6 Q 9.50 5.31 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 7 S 8.81 4.92 0.00 3.93 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 8 P 0.00 5.05 0.00 2.42 2.13 0.00 3.81 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 2.09 1.96 0.00 9 S 8.70 4.46 0.00 3.94 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.58 5.33 0.00 3.87 3.86 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 11 L 8.01 4.41 0.00 1.72 1.51 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.91 5.39 0.00 3.95 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 13 A 8.84 4.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.76 4.98 0.00 3.77 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 15 V 8.43 3.80 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 0.75 0.00 0.00 0.87 0.00 0.00 16 G 8.61 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.31 4.86 0.00 2.87 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 18 R 8.19 4.89 0.00 1.74 1.74 0.00 2.93 0.00 0.00 3.74 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 19 V 8.43 4.44 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 0.82 0.00 0.00 0.84 0.00 0.00 20 T 8.46 4.77 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 1.18 0.00 0.00 21 I 8.52 4.69 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 1.19 0.00 0.00 22 T 8.38 5.08 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 1.27 0.00 0.00 23 C 9.41 5.09 0.00 3.50 3.25 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 24 S 9.72 5.31 0.00 3.96 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 25 A 8.71 5.04 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 26 S 8.83 4.20 0.00 3.92 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 27 S 7.77 4.60 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.71 4.44 0.00 4.14 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.85 4.35 2.08 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 0.70 0.00 0.00 0.93 0.00 0.00 30 T 9.63 3.93 3.96 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 1.07 0.00 0.00 31 Y 8.28 5.09 0.00 3.19 2.36 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 32 M 8.24 4.73 0.00 1.64 0.78 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.97 0.00 33 Y 9.11 5.13 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.40 5.02 0.00 3.30 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 35 Y 9.19 5.15 0.00 3.23 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 36 Q 9.46 4.41 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 37 Q 9.08 4.62 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 38 K 8.52 4.58 0.00 1.74 1.70 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.43 7.81 39 P 0.00 4.21 0.00 2.05 2.06 0.00 3.84 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 2.06 2.14 0.00 40 G 8.94 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 0.00 0.00 0.00 41 K 7.76 4.44 0.00 1.77 1.59 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.24 7.81 42 A 8.11 4.24 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.61 0.00 1.67 1.79 0.00 3.46 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 44 K 8.79 4.68 0.00 1.81 1.73 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.36 7.81 45 L 8.83 3.96 0.00 1.29 1.45 0.32 1.02 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 46 L 9.45 4.47 0.00 1.86 1.75 0.70 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.60 4.22 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.23 3.86 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.97 0.00 0.00 58 P 0.00 4.45 0.00 2.60 2.11 0.00 3.76 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 59 S 8.83 4.28 0.00 3.97 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 60 R 7.81 4.15 0.00 1.58 2.04 0.00 2.75 0.00 0.00 3.15 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.00 61 F 8.00 4.72 0.00 3.11 3.07 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 62 S 8.99 4.79 0.00 3.69 3.81 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 63 G 8.23 4.48 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.25 0.00 0.00 72 F 8.24 4.03 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 6.77 4.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 74 I 7.87 4.30 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.05 0.00 0.00 75 S 8.72 4.00 0.00 3.73 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 76 S 7.19 4.77 0.00 3.72 3.63 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 77 L 8.73 3.97 0.00 1.67 1.50 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.94 4.84 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 79 P 0.00 4.20 0.00 2.31 2.17 0.00 3.72 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 1.99 1.96 0.00 80 E 8.06 4.64 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 81 D 8.21 5.03 0.00 2.89 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 82 I 7.97 3.52 2.05 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 1.37 0.67 0.95 0.00 0.00 83 A 8.26 4.37 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 84 T 8.31 5.02 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 0.88 0.00 0.00 85 Y 8.72 4.92 0.00 2.93 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 86 Y 9.07 5.47 0.00 3.06 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 87 C 9.24 4.22 0.00 2.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.79 4.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 1.95 1.16 0.00 89 Q 9.13 5.10 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 90 W 9.32 5.03 0.00 3.73 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.70 3.84 0.00 3.69 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.46 3.24 0.00 3.65 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 6.99 4.34 0.00 3.27 3.48 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.27 4.48 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.89 0.00 0.00 95 F 8.55 5.39 0.00 2.92 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 96 T 8.93 4.71 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.38 3.13 0.00 2.03 1.68 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 2.21 1.92 0.00 123 Q 9.03 4.57 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.66 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 124 L 7.57 4.28 0.00 1.70 1.53 0.92 0.60 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 *128 T 7.32 4.07 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 1.21 0.00 0.00 129 A 8.32 4.24 1.27 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 0.00 0.00 0.00 130 S 8.83 4.99 0.00 3.85 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 0.00 131 V 8.85 4.33 2.08 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 0.70 0.00 0.00 0.93 0.00 0.00 132 V 8.67 4.29 2.08 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 0.62 0.00 0.00 0.93 0.00 0.00 133 C 8.77 4.94 0.00 2.96 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 0.00 134 L 9.02 4.80 0.00 1.36 1.50 0.92 0.38 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 0.00 135 L 8.33 4.85 0.00 1.76 1.47 0.90 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.54 4.76 0.00 2.45 2.47 0.00 0.00 7.39 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 0.00 137 N 8.98 3.97 0.00 2.84 2.99 0.00 0.00 6.73 7.21 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 0.00 138 F 8.46 5.02 0.00 3.40 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.35 4.67 0.00 2.99 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 3.44 0.00 2.09 2.06 0.00 3.97 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 141 R 7.96 4.10 0.00 1.83 1.77 0.00 3.29 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 142 E 8.38 4.57 0.00 1.93 1.72 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 2.14 1.87 0.00 *156 G 8.82 4.05 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 0.00 157 N 9.26 4.77 0.00 2.72 2.61 0.00 0.00 6.17 7.64 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 0.00 158 S 8.07 4.63 0.00 3.32 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 8.83 4.76 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 160 E 8.73 5.81 0.00 1.94 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 2.16 2.11 0.00 161 S 8.20 4.58 0.00 3.87 3.96 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 0.00 162 V 8.39 4.64 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 0.80 0.00 0.00 0.92 0.00 0.00 163 T 8.38 4.37 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 1.23 0.00 0.00 164 E 8.61 4.38 0.00 2.01 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 0.00 2.35 2.48 0.00 165 Q 8.75 3.79 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.79 0.00 0.00 0.00 0.00 0.00 1.95 1.42 0.00 166 D 8.44 4.49 0.00 2.84 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 0.00 167 S 8.63 4.25 0.00 3.89 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 0.00 168 K 8.30 4.40 0.00 1.72 1.65 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 0.95 7.81 169 D 8.68 4.63 0.00 2.68 2.76 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 0.00 170 S 8.06 3.76 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.60 4.36 4.05 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 1.22 0.00 0.00 172 Y 7.48 4.73 0.00 2.39 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 S 8.15 5.21 0.00 3.68 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 0.00 174 L 9.01 4.70 0.00 1.33 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.18 4.87 0.00 3.87 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 0.00 176 S 8.51 5.01 0.00 3.97 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 0.00 177 T 8.82 4.97 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 1.25 0.00 0.00 178 L 8.99 4.70 0.00 1.33 1.56 0.92 0.49 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 0.00 179 T 8.46 5.65 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 1.21 0.00 0.00 *195 V 7.79 3.85 2.08 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 0.65 0.00 0.00 0.93 0.00 0.00 196 T 8.56 4.46 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 1.21 0.00 0.00 197 H 8.45 5.02 0.00 3.00 3.08 0.00 5.83 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 Q 8.27 3.82 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 199 G 7.80 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 0.00 200 L 7.28 4.65 0.00 1.62 1.60 0.87 0.80 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 0.00 201 S 8.89 4.28 0.00 3.63 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 0.00 202 S 7.64 4.71 0.00 3.56 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 P 0.00 4.34 0.00 1.91 2.15 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 204 V 8.04 4.60 2.08 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 0.69 0.00 0.00 0.93 0.00 0.00 205 T 8.44 4.53 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 1.21 0.00 0.00 206 K 8.51 4.21 0.00 1.71 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.