NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.6016 8.2649 122.4575 51.8830 20.1367 175.8608 5 V 4.2755 8.7209 113.9092 58.9922 35.7515 173.4874 6 L 5.0181 8.3542 123.5298 53.5143 43.4456 175.7091 7 T 4.1903 8.6504 115.4663 62.9463 70.3144 174.7468 8 G 4.1587 7.1832 106.9584 46.1416 0.0000 172.0657 9 V 5.1937 8.4810 117.9124 59.8978 34.4577 174.8318 10 A 5.0043 9.1641 124.8043 50.3175 22.4290 174.9214 11 T 5.1884 8.4588 109.5989 60.1317 72.2760 173.0069 12 D 4.7250 9.1333 123.0085 52.5881 44.9787 175.2794 13 K 4.8964 8.7112 125.5488 56.7401 33.5484 176.7429 14 S 4.6030 8.2790 113.9410 59.0284 63.6289 172.9062 15 E 5.1954 7.8719 119.5956 54.8415 32.4966 174.8990 16 A 4.9232 8.7249 123.2173 50.1082 22.3027 175.8045 17 K 5.0087 8.6103 119.0456 54.8672 35.7866 175.4611 18 V 4.7777 8.1518 122.1390 60.1103 34.6725 174.3282 19 T 4.7801 8.5423 120.1168 61.7243 71.5553 173.0908 20 V 4.2271 8.9106 127.3155 61.4056 33.0802 174.4901 21 L 4.7059 8.6974 129.0580 53.8601 43.7824 177.3590 22 G 4.3571 9.3732 111.0728 47.5438 0.0000 173.6152 23 I 4.2475 7.5806 120.3018 60.4736 38.6011 176.5161 24 S 4.3420 8.8051 121.3532 58.2574 63.4190 174.9215 25 D 4.7547 7.9322 127.1479 53.1399 38.1115 174.8407 26 K 4.6555 7.7245 121.6353 53.0938 36.0092 173.6149 27 P 4.2273 0.0000 0.0000 64.3250 31.4990 176.8711 28 G 3.9625 8.9074 108.7910 46.3449 0.0000 174.7686 29 E 4.1796 7.9256 120.0474 58.5849 29.7801 178.2495 30 A 4.0012 8.0276 120.2368 54.7224 18.4088 179.1856 31 A 4.0118 8.0962 119.0556 55.4418 18.3978 179.4510 32 K 3.8175 7.6790 115.7160 59.9238 32.1218 179.4004 33 V 3.6116 7.2997 117.4012 66.2608 31.3944 178.1034 34 F 4.2290 7.8834 117.0202 59.7535 38.7237 178.0259 35 R 3.9012 8.4324 119.1836 59.1248 29.7395 178.2489 36 A 3.9604 7.7223 120.6736 55.2741 18.4928 179.4028 37 L 3.9126 7.6550 116.8257 58.0939 41.6569 179.7754 38 A 4.0218 8.3765 120.8364 55.3175 18.1221 179.3349 39 D 4.3697 8.2675 115.9014 56.4543 41.0042 177.7224 40 A 4.3334 7.5265 119.5688 51.1623 18.9094 176.5666 41 E 3.7557 8.0602 117.1313 57.0863 28.6563 174.1168 42 I 3.9242 7.5983 118.2490 60.3175 37.4914 175.2381 43 N 4.6392 8.6855 124.7493 52.6514 39.2522 174.2380 44 I 4.0924 8.1430 126.5301 62.1545 38.3260 173.4948 45 D 4.6266 9.2869 122.9823 55.3404 42.9233 176.6666 46 M 4.4198 6.7848 115.7822 55.3316 34.2039 176.3794 47 V 5.1146 8.1804 121.1369 61.2561 35.1965 174.3949 48 L 4.6653 9.1394 128.9138 53.7108 45.5074 174.3484 49 Q 4.8789 8.6711 126.7707 53.4103 31.6590 174.1554 50 N 4.7656 8.6260 125.1281 51.3680 41.2210 173.9369 51 V 3.6293 8.2536 121.0548 63.6208 31.8135 176.2327 *52 F 4.4615 8.5790 122.7540 55.7318 38.8288 175.1041 53 S 4.6495 9.1631 115.6127 57.7910 63.7232 175.4640 54 V 3.5139 8.8331 128.2260 65.4058 30.6465 177.6371 55 E 4.0023 7.8845 114.9015 59.0380 29.7483 179.5733 56 D 4.4585 8.6345 120.6892 55.1127 40.6807 178.4297 57 G 3.9273 8.7391 107.8051 45.2520 0.0000 172.8861 58 T 4.8256 7.3846 109.6784 60.5723 72.3052 172.4939 59 T 4.8817 8.7162 115.3999 61.0188 71.1984 171.5351 60 D 5.2677 8.5563 120.5263 52.4205 45.2378 175.2926 61 I 5.0608 8.5878 121.6785 60.0198 40.6326 174.6186 62 T 5.1176 9.0101 124.3092 61.9559 71.0655 173.6936 63 F 6.3000 8.9508 119.2519 54.8432 42.2421 173.1840 64 T 5.6532 8.8432 108.1843 59.4840 72.4360 172.2071 65 C 5.0734 8.4000 115.9248 56.5112 33.5122 171.0954 66 P 4.6561 0.0000 0.0000 62.7403 31.4975 178.0998 67 R 4.0180 8.5013 122.5116 58.8698 30.1467 177.5405 68 S 4.5844 8.0505 110.0584 58.9155 63.6984 174.4881 69 D 5.0453 8.1642 120.6513 54.0289 41.4187 177.9330 70 G 4.1243 8.1695 111.8901 48.2213 0.0000 176.8750 71 R 3.5381 7.8434 123.1011 60.7777 29.5999 180.2879 72 R 4.0594 8.0271 118.9073 59.3610 30.0259 178.3649 73 A 4.1053 8.2054 120.5539 55.4332 18.4113 179.4991 74 M 4.0823 8.1221 117.2380 58.6657 31.7650 178.9050 75 E 3.9981 8.1092 117.8236 59.2290 29.6499 179.1542 76 I 3.8682 7.4734 118.8824 64.3975 37.6166 178.0635 77 L 4.4035 8.2317 120.7415 56.6605 41.3976 179.7173 78 K 3.9572 7.7998 126.5808 60.3052 31.8921 184.5845 79 K 4.4021 7.7905 123.3658 58.2721 32.2455 180.6806 80 L 3.8386 7.5107 117.9691 57.6715 41.2079 178.7831 81 Q 2.9272 6.8166 118.8400 58.9443 28.8820 178.7478 82 V 3.6396 7.0786 117.6775 65.7302 31.9197 177.4597 83 Q 4.1383 7.7149 116.5944 58.3771 28.7402 177.1411 84 G 3.6114 7.5058 110.0147 44.4330 0.0000 173.3917 85 N 4.7906 8.6538 114.7647 52.9305 37.5630 175.5030 86 W 4.6572 7.3744 119.0249 57.3430 29.3787 176.3400 87 T 4.2764 8.7043 119.7937 65.8402 68.0559 175.0267 88 N 5.0466 7.7501 115.6878 52.3804 41.0544 172.0953 89 V 5.0021 8.4358 111.2781 59.8198 34.4558 175.6090 90 L 4.8975 8.9390 125.1273 53.2354 44.9225 174.8634 91 Y 5.1992 8.3355 121.4290 56.0328 42.4353 173.2869 92 D 4.5900 8.5943 125.8854 52.1092 44.3004 174.8962 93 D 4.9645 8.2578 126.1940 52.5026 40.5296 176.2586 94 Q 4.9233 8.5191 116.6528 56.5154 29.2280 175.2835 95 V 4.7176 7.9324 117.3392 59.9802 34.2682 175.8340 96 G 4.3011 9.6191 110.1759 44.2927 0.0000 171.3700 97 K 5.1796 9.1770 123.0218 54.4078 35.0681 175.2841 98 V 5.0632 8.8630 120.2994 59.8944 35.3724 174.9205 99 S 5.2216 8.9272 118.7061 57.1458 67.9267 172.6998 100 L 4.6439 9.2320 126.7710 53.6984 43.5520 175.2915 101 V 4.4514 8.5956 127.5132 61.8187 33.1612 175.0061 102 G 4.2486 8.4148 112.9717 46.7430 0.0000 172.0740 103 A 4.5146 8.7090 122.5282 51.8856 23.3247 177.7250 104 G 3.9908 8.9909 111.1123 45.3414 0.0000 174.7452 105 M 4.1804 8.1326 121.7731 57.2841 32.4361 178.8212 106 K 3.7728 8.4825 119.7316 59.5931 32.0703 177.3358 107 S 4.4908 7.9930 108.9356 59.0445 63.7880 174.0142 108 H 4.8951 8.1092 118.9579 52.8307 28.7861 172.2882 109 P 4.4524 0.0000 0.0000 65.3694 31.3507 178.5936 110 G 3.8081 8.2960 105.5806 47.8273 0.0000 175.5264 111 V 3.8381 7.9805 120.1883 66.3921 31.6154 178.2068 112 T 3.8873 7.9952 114.6338 66.5808 68.3554 176.1625 113 A 4.0616 8.0096 122.4552 55.5090 18.4607 179.6609 114 E 4.1196 8.8165 117.3831 59.1774 29.3061 179.4478 115 F 4.2385 8.7763 120.9929 61.7174 39.5738 177.0210 116 M 4.2799 8.4437 118.6140 58.4466 31.8871 178.3295 117 E 4.1965 8.4960 116.4394 58.1356 30.1418 178.7739 118 A 3.8714 7.9146 122.6773 55.2127 18.4481 179.5835 119 L 4.0194 7.6454 117.7859 57.7098 41.6848 179.8993 120 R 3.9695 8.0328 116.2373 59.2103 29.1885 178.2207 121 D 4.6146 7.8649 117.4753 55.1747 40.9593 177.1686 122 V 4.2211 7.0633 117.4615 61.1112 32.0820 175.3225 123 N 4.0931 7.6392 115.9336 55.7159 37.6609 174.1797 124 V 4.4146 7.7199 115.8592 59.7173 34.0986 174.9302 125 N 4.6056 8.5768 121.5184 52.5172 39.9079 174.4394 126 I 4.2797 8.1072 126.1206 60.1930 37.2147 175.2234 127 E 4.2774 8.7221 126.2445 58.4383 30.3246 177.2755 128 L 4.8746 8.0368 119.7689 53.3716 46.0838 175.4049 129 I 5.1477 8.2403 124.1522 59.7164 40.8800 175.1420 130 S 4.6255 8.6815 120.1694 57.5800 66.2689 173.3213 131 T 4.8456 8.3170 114.0802 60.1325 72.3473 172.1623 132 S 4.5012 8.5697 115.0035 57.2499 65.6061 174.9403 133 E 4.1734 8.7713 119.2078 58.5798 29.9240 178.5334 134 I 4.7103 7.6115 110.6528 59.0058 39.7036 175.0871 135 R 4.7935 7.7999 121.8520 55.8131 34.3751 173.2766 136 I 4.4483 8.4656 127.7668 59.8517 39.2671 174.6160 137 S 5.3449 8.1148 122.8002 55.8981 66.0154 174.0610 138 V 4.9206 9.2571 115.7645 59.7574 36.2152 174.2671 139 L 5.2200 8.3832 123.1009 53.5102 43.7578 175.7666 140 I 4.8750 8.9877 115.7596 58.9008 42.0399 174.2604 141 R 4.0658 8.6721 120.7375 56.9640 30.5016 177.6554 142 E 3.9058 8.9768 123.6906 59.6882 29.4069 179.1214 143 D 4.4397 8.0705 117.3415 57.0771 41.1414 177.5057 144 D 4.5905 7.9612 117.8889 54.9110 40.9548 178.1779 145 L 3.9010 7.7856 122.3193 58.2712 42.2157 178.0912 146 D 4.2971 8.1539 117.2309 57.4234 41.0586 178.0576 147 A 3.9607 7.9124 120.4471 54.8654 18.5504 179.2822 148 A 3.7916 8.3945 119.4549 55.2117 18.5259 179.2814 149 A 3.8856 8.0649 119.4773 55.6660 18.3917 179.8470 150 R 3.8896 7.9802 116.4488 59.5720 30.0974 178.4884 151 A 3.9567 8.0676 120.6213 55.1886 18.3241 179.6710 152 L 3.9184 7.9675 117.4673 57.9768 41.6999 179.1546 153 H 4.2220 8.1158 116.2857 59.0537 28.4729 177.6031 154 E 3.9024 7.8886 118.5327 59.6538 29.4572 178.5894 155 Q 3.8698 7.8942 116.5680 58.6203 28.7384 177.6419 156 F 4.6436 8.0155 113.0682 56.4964 39.8069 175.7818 157 Q 3.4126 7.8239 121.5507 57.8075 26.3905 174.5391 158 L 4.4511 7.5683 119.6390 54.4138 42.0373 178.2173 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 4 A 8.26 4.60 1.16 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 0.00 0.00 0.00 0.00 0.00 5 V 8.72 4.28 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 0.69 0.00 0.00 0.95 0.00 0.00 6 L 8.35 5.02 0.00 1.44 1.43 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.65 4.19 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 1.19 0.00 0.00 8 G 7.18 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.48 5.19 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 0.56 0.00 0.00 0.87 0.00 0.00 10 A 9.16 5.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.46 5.19 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 1.23 0.00 0.00 12 D 9.13 4.73 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 4.90 0.00 1.75 1.81 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.39 7.81 14 S 8.28 4.60 0.00 4.01 4.16 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 0.00 0.00 0.00 15 E 7.87 5.20 0.00 1.84 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 0.00 2.24 2.44 0.00 16 A 8.72 4.92 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 17 K 8.61 5.01 0.00 1.75 1.80 0.00 1.16 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.19 7.81 18 V 8.15 4.78 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 0.43 0.00 0.00 0.59 0.00 0.00 19 T 8.54 4.78 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 1.15 0.00 0.00 20 V 8.91 4.23 1.65 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 -0.55 0.00 0.00 0.68 0.00 0.00 21 L 8.70 4.71 0.00 1.80 1.55 0.98 0.69 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 22 G 9.37 4.36 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 0.00 23 I 7.58 4.25 1.67 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.06 0.88 0.00 0.00 24 S 8.81 4.34 0.00 3.92 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 25 D 7.93 4.75 0.00 2.98 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 26 K 7.72 4.66 0.00 1.79 1.69 0.00 1.98 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 27 P 0.00 4.23 0.00 2.09 2.00 0.00 3.80 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 2.04 2.11 0.00 28 G 8.91 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 0.00 0.00 0.00 29 E 7.93 4.18 0.00 2.40 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 30 A 8.03 4.00 1.49 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 31 A 8.10 4.01 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 32 K 7.68 3.82 0.00 2.13 1.98 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.68 7.81 33 V 7.30 3.61 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.83 0.00 0.00 34 F 7.88 4.23 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 35 R 8.43 3.90 0.00 2.03 2.02 0.00 3.20 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 36 A 7.72 3.96 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 37 L 7.66 3.91 0.00 1.82 1.68 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.38 4.02 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 0.00 0.00 0.00 0.00 0.00 39 D 8.27 4.37 0.00 2.79 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 40 A 7.53 4.33 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 41 E 8.06 3.76 0.00 2.09 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 0.00 2.22 2.32 0.00 42 I 7.60 3.92 1.98 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 1.21 1.03 0.99 0.00 0.00 43 N 8.69 4.64 0.00 2.69 2.76 0.00 0.00 7.22 7.94 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 44 I 8.14 4.09 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 0.97 0.00 0.00 45 D 9.29 4.63 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 6.78 4.42 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 47 V 8.18 5.11 1.97 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 0.78 0.00 0.00 0.70 0.00 0.00 48 L 9.14 4.67 0.00 1.72 1.45 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.67 4.88 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 50 N 8.63 4.77 0.00 2.70 2.71 0.00 0.00 7.15 7.71 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 51 V 8.25 3.63 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 0.81 0.00 0.00 0.93 0.00 0.00 *52 F 8.58 4.46 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.16 4.65 0.00 3.95 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 54 V 8.83 3.51 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 55 E 7.88 4.00 0.00 2.01 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 2.24 1.92 0.00 56 D 8.63 4.46 0.00 2.66 2.77 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 57 G 8.74 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 58 T 7.38 4.83 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 1.24 0.00 0.00 59 T 8.72 4.88 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 1.18 0.00 0.00 60 D 8.56 5.27 0.00 2.55 2.52 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 61 I 8.59 5.06 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 1.21 0.00 0.00 62 T 9.01 5.12 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 1.19 0.00 0.00 63 F 8.95 6.30 0.00 3.30 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 64 T 8.84 5.65 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 1.24 0.00 0.00 65 C 8.40 5.07 0.00 3.22 3.30 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 0.00 66 P 0.00 4.66 0.00 2.14 2.06 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 67 R 8.50 4.02 0.00 1.99 2.00 0.00 3.26 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 68 S 8.05 4.58 0.00 4.05 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 69 D 8.16 5.05 0.00 2.80 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 70 G 8.17 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.84 3.54 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 72 R 8.03 4.06 0.00 1.87 2.19 0.00 3.30 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 73 A 8.21 4.11 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.12 4.08 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.70 0.00 75 E 8.11 4.00 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 76 I 7.47 3.87 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.93 0.00 0.00 77 L 8.23 4.40 0.00 1.95 2.11 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.80 3.96 0.00 1.87 1.75 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.35 7.81 79 K 7.79 4.40 0.00 1.75 1.83 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.08 7.81 80 L 7.51 3.84 0.00 1.14 1.14 0.97 0.77 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 81 Q 6.82 2.93 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 82 V 7.08 3.64 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 0.88 0.00 0.00 0.84 0.00 0.00 83 Q 7.71 4.14 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 84 G 7.51 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 0.00 0.00 0.00 85 N 8.65 4.79 0.00 2.92 3.01 0.00 0.00 6.05 8.88 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 86 W 7.37 4.66 0.00 3.20 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 87 T 8.70 4.28 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 1.25 0.00 0.00 88 N 7.75 5.05 0.00 2.78 2.96 0.00 0.00 5.82 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 89 V 8.44 5.00 2.21 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 1.20 0.00 0.00 1.03 0.00 0.00 90 L 8.94 4.90 0.00 1.55 1.55 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.34 5.20 0.00 2.96 2.77 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 92 D 8.59 4.59 0.00 2.65 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 0.00 0.00 0.00 0.00 93 D 8.26 4.96 0.00 2.61 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 94 Q 8.52 4.92 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 95 V 7.93 4.72 2.00 0.00 0.00 0.00 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 0.96 0.00 0.00 96 G 9.62 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 0.00 0.00 0.00 0.00 97 K 9.18 5.18 0.00 1.77 1.76 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 98 V 8.86 5.06 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 0.76 0.00 0.00 1.04 0.00 0.00 99 S 8.93 5.22 0.00 3.76 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 0.00 100 L 9.23 4.64 0.00 1.96 1.58 0.77 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.60 4.45 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 0.85 0.00 0.00 0.92 0.00 0.00 102 G 8.41 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 0.00 0.00 0.00 0.00 103 A 8.71 4.51 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 0.00 104 G 8.99 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 0.00 105 M 8.13 4.18 0.00 2.07 2.08 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 2.55 2.40 0.00 106 K 8.48 3.77 0.00 1.70 1.95 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 107 S 7.99 4.49 0.00 3.93 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 0.00 108 H 8.11 4.90 0.00 3.16 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.45 0.00 2.27 2.32 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 110 G 8.30 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 0.00 0.00 0.00 111 V 7.98 3.84 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 0.90 0.00 0.00 0.97 0.00 0.00 112 T 8.00 3.89 4.39 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 1.19 0.00 0.00 113 A 8.01 4.06 1.42 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 0.00 0.00 114 E 8.82 4.12 0.00 2.45 1.82 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 2.29 2.45 0.00 115 F 8.78 4.24 0.00 3.52 3.28 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 0.00 116 M 8.44 4.28 0.00 2.24 2.32 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 2.70 2.67 0.00 117 E 8.50 4.20 0.00 2.20 2.21 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 2.56 2.29 0.00 118 A 7.91 3.87 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 0.00 119 L 7.65 4.02 0.00 1.64 1.70 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.03 3.97 0.00 2.10 2.20 0.00 2.80 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 121 D 7.86 4.61 0.00 2.68 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 0.00 122 V 7.06 4.22 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 0.71 0.00 0.00 0.91 0.00 0.00 123 N 7.64 4.09 0.00 2.79 2.82 0.00 0.00 6.84 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 0.00 124 V 7.72 4.41 2.20 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 0.87 0.00 0.00 0.93 0.00 0.00 125 N 8.58 4.61 0.00 2.68 2.74 0.00 0.00 7.05 7.94 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 0.00 126 I 8.11 4.28 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 1.00 0.00 0.00 127 E 8.72 4.28 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 128 L 8.04 4.87 0.00 1.60 1.42 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.24 5.15 1.84 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 0.78 0.87 0.00 0.00 130 S 8.68 4.63 0.00 3.85 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 0.00 131 T 8.32 4.85 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 1.04 0.00 0.00 132 S 8.57 4.50 0.00 3.95 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 0.00 133 E 8.77 4.17 0.00 1.92 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 2.38 2.30 0.00 134 I 7.61 4.71 1.93 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 1.06 1.77 0.89 0.00 0.00 135 R 7.80 4.79 0.00 1.77 1.70 0.00 3.02 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 1.44 1.53 0.00 136 I 8.47 4.45 1.35 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.29 -0.14 0.00 0.00 137 S 8.11 5.34 0.00 3.85 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 0.00 138 V 9.26 4.92 2.23 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 0.83 0.00 0.00 1.25 0.00 0.00 139 L 8.38 5.22 0.00 1.59 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.99 4.87 1.88 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 1.25 0.87 0.98 0.00 0.00 141 R 8.67 4.07 0.00 1.78 1.91 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 142 E 8.98 3.91 0.00 2.14 1.94 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 2.30 2.35 0.00 143 D 8.07 4.44 0.00 2.66 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 0.00 144 D 7.96 4.59 0.00 2.87 2.69 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 0.00 145 L 7.79 3.90 0.00 1.98 1.66 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.15 4.30 0.00 2.78 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 0.00 147 A 7.91 3.96 1.30 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 0.00 0.00 0.00 148 A 8.39 3.79 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 0.00 149 A 8.06 3.89 1.41 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 0.00 150 R 7.98 3.89 0.00 2.06 2.09 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 151 A 8.07 3.96 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 0.00 0.00 152 L 7.97 3.92 0.00 1.79 1.81 0.65 0.33 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 0.00 153 H 8.12 4.22 0.00 3.40 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.89 3.90 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 155 Q 7.89 3.87 0.00 1.78 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 156 F 8.02 4.64 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 7.82 3.41 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 158 L 7.57 4.45 0.00 1.61 1.36 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.