NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3574 8.2649 123.5850 51.8917 19.7673 176.8570 32 D 4.2812 8.8130 123.1658 55.7056 41.1551 170.8913 33 V 4.9409 8.4224 119.0534 61.1860 34.6863 174.6800 34 S 4.8457 9.1160 122.9755 56.7045 67.4618 172.8703 35 Q 4.9685 8.0376 118.3706 54.7427 31.7112 174.1713 36 Y 4.8590 8.8335 117.4722 56.7584 42.6419 174.0558 37 H 4.8594 9.0533 120.3953 55.5698 29.7485 174.8626 38 V 4.6948 8.3141 114.3514 60.1448 37.1083 173.3109 39 N 5.4994 8.8263 118.6517 51.8408 40.9609 174.2389 40 H 4.5744 9.7511 125.1698 56.5581 30.7423 175.0557 41 L 4.4438 8.4554 125.8224 55.9479 42.9825 177.1089 42 V 4.4915 6.8005 115.2140 61.0821 34.3943 171.8848 43 T 5.0766 8.6271 118.5320 61.8240 71.5980 173.2594 44 F 5.0957 8.2735 119.8504 55.3975 41.7932 173.7127 45 C 5.0055 8.8428 117.4745 58.9740 29.3597 172.9390 46 L 4.7613 8.8067 122.5136 53.2092 42.9626 176.4642 47 G 4.2405 9.6856 113.5074 43.4243 0.0000 174.0114 48 E 4.1705 8.7649 119.7958 58.2205 29.6313 177.8174 49 E 4.6949 8.0730 117.0150 56.2815 29.1142 176.0892 50 D 4.5314 8.3284 118.5022 53.9573 41.2883 178.0786 51 G 3.6488 8.1939 106.8061 45.7026 0.0000 173.5935 52 V 4.1441 7.0662 119.7380 61.4223 31.6428 174.7516 53 H 4.9641 9.6179 124.7399 55.2534 31.3249 174.6922 54 T 4.7530 7.7019 108.4906 58.9087 72.9002 174.6005 55 V 3.6309 8.3675 120.5624 66.5054 31.2622 177.9754 56 E 4.0044 8.1744 117.4671 59.6123 29.3418 178.7885 57 D 4.3547 8.4025 118.7926 57.4069 40.7940 178.8766 58 A 4.3080 8.2784 121.1710 55.4632 18.4740 179.9055 59 S 4.0250 8.7169 114.1020 61.7052 62.7863 177.1967 60 R 3.8936 8.3171 121.1312 59.1099 29.5891 179.0363 61 K 3.8115 8.2412 118.8798 59.1044 32.1909 178.1568 62 L 3.9580 8.0663 120.2002 58.1397 42.0796 178.6273 63 A 4.0523 7.9033 120.5388 54.8883 18.3661 180.3400 64 V 3.6283 7.6370 113.6697 63.9413 31.4574 177.1074 *66 D 4.3861 8.1029 118.8767 53.6837 42.6149 177.3202 67 S 4.1899 8.1037 112.1581 60.2471 63.1641 174.6320 68 Q 4.2652 7.8783 119.0139 55.5575 28.6351 176.0347 69 G 3.9504 8.0691 106.0618 46.6136 0.0000 174.7184 70 R 4.5344 7.9811 115.8609 55.5792 30.6153 176.1715 71 V 4.2874 7.2430 118.3857 60.5981 33.1350 174.5825 72 W 4.8339 8.5291 125.9846 54.4863 32.5066 174.8730 73 A 4.3562 8.9306 127.4674 52.3224 18.7048 176.1493 74 Q 4.6238 9.0289 123.9083 54.1354 32.0167 174.7146 75 E 4.9563 8.8407 126.9718 55.3095 31.3362 175.4685 *77 L 4.1064 8.2429 124.1041 54.9165 43.7129 174.8883 78 L 4.9037 9.2216 129.8005 53.5727 43.8969 174.7771 79 R 4.9743 9.3047 127.9943 54.6611 32.3670 174.5652 80 V 4.7044 9.0554 127.4883 61.3410 33.1827 174.7287 81 S 5.4438 8.6710 121.4625 54.7367 66.3889 173.2072 82 P 4.2368 0.0000 0.0000 64.1393 31.4468 177.4339 83 S 4.7022 7.4342 112.2200 58.3434 64.6333 173.2869 84 Q 4.8634 7.5597 117.9250 55.6119 32.2695 172.8690 85 V 4.7797 8.6860 120.5741 61.6078 33.6933 174.5210 86 T 5.0943 9.0243 124.3837 61.7144 72.0978 172.8206 87 L 5.1699 8.9955 125.2313 53.0772 44.1472 175.6647 88 L 5.2541 8.9281 123.3817 52.4626 45.7532 175.7902 89 D 4.5989 8.6141 121.6476 53.4349 41.4873 175.4900 90 P 4.2637 0.0000 0.0000 65.1793 31.2130 176.3401 91 V 4.1888 7.9363 116.3913 64.4456 32.9518 177.0840 92 S 4.1203 8.2135 113.3426 59.3242 63.0054 175.1459 93 K 3.9545 8.1142 118.2304 56.5748 30.3877 175.3720 94 E 4.2887 7.6359 118.3016 55.6476 31.1548 175.8266 95 E 4.2160 8.7117 123.3392 56.8416 29.6052 176.1594 96 L 4.4793 9.2193 127.6915 56.4655 43.3629 176.3120 97 E 4.7410 7.6499 116.4121 55.4802 32.8847 174.5546 98 S 4.8692 7.9976 117.4701 56.8841 66.5200 172.9937 99 Y 4.7300 9.3452 120.5288 55.2829 40.6584 173.6643 100 P 4.6775 0.0000 0.0000 62.4714 32.3179 177.6749 101 L 3.7990 7.9766 119.9565 57.5723 41.6757 179.3210 102 D 4.3027 7.5871 117.0557 56.9166 41.4175 176.9775 103 A 4.2684 8.1943 121.5739 53.8712 18.7562 176.9135 104 I 4.3742 7.2943 117.5287 61.0627 37.6124 176.0586 105 V 4.2769 8.4817 118.7767 62.1140 33.4280 176.1619 106 R 4.6202 7.4801 118.6126 55.3436 33.5010 173.2250 107 C 5.1432 8.4265 124.2965 58.0045 34.6196 172.2212 108 D 4.9309 9.2528 124.4436 52.7997 45.2869 173.2467 109 A 5.2863 8.4338 122.0003 50.3112 21.4477 176.3614 110 V 4.0838 8.9020 122.1227 60.4561 36.1706 171.9166 *112 P 4.0625 0.0000 0.0000 62.0936 32.2907 176.5753 113 R 3.8697 8.2865 118.5943 57.9158 30.3004 177.4816 114 G 3.8712 10.4125 112.4288 45.2061 0.0000 173.1559 115 R 4.4482 7.3759 115.6055 55.1928 32.9791 174.3676 116 S 4.3851 8.7284 118.6900 59.1805 63.8460 173.9563 117 R 4.5909 7.5879 119.4461 54.5447 32.3118 174.7554 118 S 4.8787 8.2543 113.8453 57.3359 64.3527 172.6922 119 L 5.1307 9.7277 126.8394 53.0933 44.6937 174.9701 120 L 4.9401 9.1820 124.7515 53.7285 43.8303 174.7171 121 L 4.8560 9.2099 128.9124 53.1551 44.7155 174.8050 122 L 5.0305 8.7848 125.8819 52.9025 45.2247 175.3592 123 V 4.5758 8.7747 124.4327 61.3648 33.5720 174.3323 124 C 5.1952 8.8663 124.5905 57.9847 32.3790 173.0660 125 Q 4.6544 8.8839 122.4571 54.1497 30.3389 174.6469 126 E 4.2752 8.6429 126.3058 55.0063 30.5324 176.4343 127 P 4.2837 0.0000 0.0000 66.1556 31.1469 177.5649 128 E 4.1308 8.1132 116.2587 57.8106 29.8156 177.0127 129 R 4.4396 7.4900 117.1219 54.7984 31.3198 176.6852 130 A 4.2040 8.4778 123.5357 54.2775 18.8758 177.6897 131 Q 4.6505 7.6019 112.8294 53.2507 32.8487 172.9146 132 P 4.7399 0.0000 0.0000 62.8279 33.4598 174.4435 133 D 5.2104 9.0005 119.4132 52.4431 45.1371 175.0875 134 V 3.9071 8.0846 121.6157 61.5139 33.4086 174.1325 135 H 5.1183 8.9416 125.1610 53.8797 31.6438 173.0359 136 F 5.3400 8.7529 121.7762 55.7288 41.9433 174.6251 137 F 5.3922 9.3849 120.7861 55.8357 43.4778 173.3960 138 Q 4.8153 9.3040 123.8706 54.7032 30.7226 175.2410 139 G 4.3097 8.1976 113.3426 44.8963 0.0000 175.9478 140 L 4.7508 8.3481 118.9677 54.2201 40.8072 179.1632 141 L 3.9944 9.0480 129.1478 58.9887 41.9364 176.9064 142 L 4.1323 8.0407 115.3497 54.3977 41.8131 177.4923 143 G 3.8976 7.6879 109.6127 44.9954 0.0000 173.9700 144 A 4.2927 8.0557 118.4191 53.5767 19.3161 179.0754 145 E 3.8101 8.0309 117.8347 59.3557 29.7748 178.6103 146 L 3.9689 7.7267 119.9688 57.9356 42.1399 178.8262 147 I 3.2009 7.2050 119.4788 63.7265 37.1318 177.8153 148 R 3.7967 8.0318 119.9101 59.7570 29.7692 178.4526 149 E 4.0449 8.1033 118.1212 59.2323 29.3211 178.8756 150 D 4.3107 7.9090 117.7068 57.4569 41.3036 178.4391 151 I 3.6923 8.0295 120.7502 64.3626 37.0155 178.2451 152 Q 4.0766 8.6811 121.0589 59.0288 28.8098 178.4152 153 G 3.6351 8.3980 106.8264 47.8229 0.0000 175.5539 154 A 4.0745 8.2676 123.2908 54.5995 18.3099 179.8022 155 L 3.9484 8.3473 118.0329 58.1079 41.5515 179.4353 156 Q 4.0226 8.1236 116.8537 59.3714 28.7775 178.3611 157 N 4.3534 8.1570 116.3807 56.7719 39.0358 175.4694 158 Y 4.2275 8.3191 120.9010 61.0818 39.0489 177.1510 159 R 4.2422 8.3774 121.7525 56.5094 30.3308 176.3853 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 31 A 8.26 4.36 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 32 D 8.81 4.28 0.00 2.80 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 33 V 8.42 4.94 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 0.79 0.00 0.00 0.92 0.00 0.00 34 S 9.12 4.85 0.00 3.76 3.29 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 35 Q 8.04 4.97 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 36 Y 8.83 4.86 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 9.05 4.86 0.00 3.10 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.31 4.69 2.32 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 0.85 0.00 0.00 0.99 0.00 0.00 39 N 8.83 5.50 0.00 2.72 2.78 0.00 0.00 7.10 8.32 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 40 H 9.75 4.57 0.00 3.38 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.46 4.44 0.00 1.51 1.57 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 V 6.80 4.49 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 1.07 0.00 0.00 1.09 0.00 0.00 43 T 8.63 5.08 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 1.06 0.00 0.00 44 F 8.27 5.10 0.00 3.07 3.12 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 45 C 8.84 5.01 0.00 2.96 2.94 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 46 L 8.81 4.76 0.00 1.50 1.64 0.91 0.98 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 47 G 9.69 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 0.00 0.00 0.00 0.00 48 E 8.76 4.17 0.00 1.99 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 2.33 2.35 0.00 49 E 8.07 4.69 0.00 1.93 1.92 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 2.21 2.30 0.00 50 D 8.33 4.53 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.19 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 0.00 0.00 0.00 52 V 7.07 4.14 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 0.96 0.00 0.00 0.96 0.00 0.00 53 H 9.62 4.96 0.00 3.09 3.29 0.00 5.67 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 54 T 7.70 4.75 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 1.25 0.00 0.00 55 V 8.37 3.63 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 1.21 0.00 0.00 0.98 0.00 0.00 56 E 8.17 4.00 0.00 2.04 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 2.43 2.36 0.00 57 D 8.40 4.35 0.00 2.87 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 58 A 8.28 4.31 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.72 4.03 0.00 4.00 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 0.00 60 R 8.32 3.89 0.00 1.99 1.94 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 61 K 8.24 3.81 0.00 1.58 1.88 0.00 1.48 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.69 1.08 7.81 62 L 8.07 3.96 0.00 1.10 1.48 0.66 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.90 4.05 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 64 V 7.64 3.63 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 0.92 0.00 0.00 0.89 0.00 0.00 *66 D 8.10 4.39 0.00 2.77 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 67 S 8.10 4.19 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.88 4.27 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.35 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 69 G 8.07 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 0.00 0.00 0.00 70 R 7.98 4.53 0.00 1.82 2.04 0.00 3.20 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 71 V 7.24 4.29 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 0.71 0.00 0.00 0.85 0.00 0.00 72 W 8.53 4.83 0.00 3.21 3.16 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 73 A 8.93 4.36 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 74 Q 9.03 4.62 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 75 E 8.84 4.96 0.00 2.10 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 2.39 2.35 0.00 *77 L 8.24 4.11 0.00 1.89 1.56 0.73 0.33 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 78 L 9.22 4.90 0.00 1.54 1.49 0.31 0.87 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 79 R 9.30 4.97 0.00 1.83 1.74 0.00 3.10 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 80 V 9.06 4.70 2.31 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 1.01 0.00 0.00 1.05 0.00 0.00 81 S 8.67 5.44 0.00 3.89 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 82 P 0.00 4.24 0.00 2.11 2.19 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 83 S 7.43 4.70 0.00 3.84 4.14 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 84 Q 7.56 4.86 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 85 V 8.69 4.78 2.18 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 0.96 0.00 0.00 0.91 0.00 0.00 86 T 9.02 5.09 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 87 L 9.00 5.17 0.00 1.59 1.65 1.33 0.47 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 88 L 8.93 5.25 0.00 1.42 1.63 0.90 1.18 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 89 D 8.61 4.60 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.28 2.25 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 91 V 7.94 4.19 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 0.84 0.00 0.00 0.95 0.00 0.00 92 S 8.21 4.12 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.11 3.95 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 94 E 7.64 4.29 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 95 E 8.71 4.22 0.00 1.98 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 2.23 2.30 0.00 96 L 9.22 4.48 0.00 1.66 1.70 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.65 4.74 0.00 1.97 1.61 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 1.98 1.47 0.00 98 S 8.00 4.87 0.00 3.74 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 99 Y 9.35 4.73 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.68 0.00 2.15 2.15 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 101 L 7.98 3.80 0.00 0.54 1.29 0.87 0.92 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 0.00 102 D 7.59 4.30 0.00 2.68 2.70 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 0.00 103 A 8.19 4.27 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.29 4.37 1.80 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 1.20 0.54 0.83 0.00 0.00 105 V 8.48 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 0.65 0.00 0.00 0.89 0.00 0.00 106 R 7.48 4.62 0.00 1.80 1.63 0.00 3.10 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 107 C 8.43 5.14 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.25 4.93 0.00 2.69 2.41 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 0.00 109 A 8.43 5.29 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 0.00 110 V 8.90 4.08 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 0.89 0.00 0.00 0.98 0.00 0.00 *112 P 0.00 4.06 0.00 2.16 2.09 0.00 3.75 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 1.83 1.90 0.00 113 R 8.29 3.87 0.00 1.80 1.91 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 114 G 10.41 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 0.00 115 R 7.38 4.45 0.00 1.79 1.73 0.00 3.16 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 116 S 8.73 4.39 0.00 4.01 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 0.00 117 R 7.59 4.59 0.00 1.79 1.88 0.00 3.20 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 118 S 8.25 4.88 0.00 3.91 3.72 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 0.00 119 L 9.73 5.13 0.00 1.89 1.81 0.74 0.42 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 0.00 120 L 9.18 4.94 0.00 1.72 1.69 0.90 0.23 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 0.00 121 L 9.21 4.86 0.00 1.55 1.33 0.71 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.78 5.03 0.00 1.57 1.36 0.77 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.77 4.58 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 0.93 0.00 0.00 0.77 0.00 0.00 124 C 8.87 5.20 0.00 2.81 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 0.00 125 Q 8.88 4.65 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 126 E 8.64 4.28 0.00 2.12 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 2.55 2.44 0.00 127 P 0.00 4.28 0.00 2.18 2.22 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 2.01 2.02 0.00 128 E 8.11 4.13 0.00 1.97 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 2.32 2.40 0.00 129 R 7.49 4.44 0.00 1.86 1.87 0.00 3.40 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 130 A 8.48 4.20 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 0.00 131 Q 7.60 4.65 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 132 P 0.00 4.74 0.00 2.07 2.16 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 133 D 9.00 5.21 0.00 2.37 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 0.00 0.00 0.00 0.00 134 V 8.08 3.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.63 0.00 0.00 135 H 8.94 5.12 0.00 2.94 2.77 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.75 5.34 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 0.00 137 F 9.38 5.39 0.00 2.95 2.93 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 0.00 138 Q 9.30 4.82 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 139 G 8.20 4.31 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 0.00 140 L 8.35 4.75 0.00 1.76 0.80 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 L 9.05 3.99 0.00 1.60 1.73 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.04 4.13 0.00 1.83 1.81 1.10 0.95 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 0.00 143 G 7.69 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 0.00 0.00 0.00 144 A 8.06 4.29 1.34 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 0.00 0.00 145 E 8.03 3.81 0.00 2.07 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 2.36 2.40 0.00 146 L 7.73 3.97 0.00 1.77 1.63 0.95 1.05 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 0.00 147 I 7.21 3.20 1.55 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.13 0.50 0.00 0.00 148 R 8.03 3.80 0.00 1.80 2.06 0.00 3.07 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 149 E 8.10 4.04 0.00 2.19 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 0.00 2.32 2.40 0.00 150 D 7.91 4.31 0.00 2.95 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 0.00 151 I 8.03 3.69 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.85 0.00 0.00 152 Q 8.68 4.08 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 153 G 8.40 3.64 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 0.00 0.00 0.00 154 A 8.27 4.07 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 0.00 155 L 8.35 3.95 0.00 1.83 1.74 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.12 4.02 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 157 N 8.16 4.35 0.00 2.82 3.08 0.00 0.00 7.21 7.17 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 0.00 158 Y 8.32 4.23 0.00 3.06 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 0.00 159 R 8.38 4.24 0.00 1.94 1.88 0.00 3.41 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.