NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3037 8.1429 120.6280 54.7373 43.9853 179.4357 5 D 4.2644 8.1781 117.0023 55.6868 39.8234 180.4973 6 N 4.5223 8.4373 116.9694 55.1307 39.8794 175.0736 7 A 4.1530 7.4623 122.0266 51.1458 19.1681 175.4693 8 P 4.6095 0.0000 0.0000 62.4247 32.9498 175.9359 9 L 4.6448 8.3884 121.3461 54.4996 42.6844 176.4480 10 L 4.1306 8.6110 125.2859 55.2244 42.6299 176.6619 11 E 4.6032 9.3949 125.9244 54.2466 31.1524 174.9653 12 L 4.1555 8.4786 123.7090 54.5129 42.4069 176.8190 13 D 4.7053 8.8020 124.0156 52.8461 41.3009 175.9835 14 V 4.3019 8.0119 124.5628 60.9953 32.8990 175.0500 15 Q 4.2728 8.7838 130.4387 58.9618 29.4869 175.7847 16 E 4.8007 7.7931 114.2706 55.3035 33.0279 174.2602 17 W 5.0696 8.7623 121.3020 55.1446 29.8201 176.6945 18 V 3.8574 8.4976 124.9592 65.2354 31.1229 176.4601 19 N 5.0974 8.0074 112.9087 52.0264 38.1720 172.7756 20 H 4.5724 7.8334 115.5073 55.3560 32.5662 172.8851 21 E 4.0087 8.2476 124.4440 55.7015 30.0954 177.0018 22 G 2.4125 8.0912 113.0841 44.9097 0.0000 172.7238 23 L 4.6357 6.6179 120.6426 52.5724 44.0926 177.2864 24 S 4.7512 8.9722 118.5579 57.1247 66.3610 175.2717 25 N 4.4798 8.7331 121.6774 57.0418 37.9732 178.1772 26 E 4.0448 8.0952 118.7436 61.1630 29.9581 181.5619 27 D 4.6941 7.8678 118.9394 57.3150 41.2784 178.6873 28 L 4.1220 8.0540 119.2547 56.2070 41.7442 177.5081 29 R 4.0415 7.0909 119.0090 57.6521 30.4072 176.7046 30 G 4.0072 9.3187 113.2290 45.0976 0.0000 173.1160 31 K 4.8199 7.6465 118.1144 54.0360 36.3540 175.8430 32 V 3.9817 8.3138 123.2476 62.9809 32.9451 174.8025 33 V 4.8477 8.8048 127.6228 61.0695 34.1754 174.1206 34 V 4.6430 8.7952 128.2325 61.1813 33.8005 174.1565 35 V 4.6681 8.9571 128.8971 61.1709 33.3500 173.8647 36 E 4.8047 9.2181 130.5315 54.9137 30.9766 174.7924 37 V 4.9082 8.8623 129.5172 61.8934 32.7930 174.7984 38 F 5.2907 9.2830 122.4185 55.4380 41.7353 173.3132 39 Q 4.4135 8.4663 117.9632 55.2546 32.4694 177.5704 *41 L 4.1985 8.4643 127.8378 55.3737 43.4359 175.4024 42 C 4.6171 7.5922 120.3734 57.3039 32.8634 172.8775 43 P 4.3999 0.0000 0.0000 65.6079 30.9821 179.0324 44 G 3.6408 8.0748 104.1356 47.8977 0.0000 175.4321 45 C 4.1803 8.0081 118.6456 62.6134 28.1224 176.2316 46 V 3.6408 7.8615 118.5471 66.1820 31.2554 177.5397 47 N 4.5905 8.5062 115.4152 55.8683 38.6816 174.3843 48 H 4.7193 8.0484 116.2535 57.4635 32.4863 175.5595 49 G 3.6703 8.3382 107.1104 47.2231 0.0000 175.6732 50 V 3.5463 8.1310 121.4535 65.2836 31.6101 176.3844 51 P 4.3240 0.0000 0.0000 65.4651 31.1579 178.3200 52 Q 3.9117 8.1366 118.3493 59.0930 28.9591 178.2286 53 A 3.8590 7.9577 121.7717 55.2658 18.3050 179.6318 54 Q 4.2053 8.3134 116.5770 58.9965 28.5522 178.9292 55 K 3.9483 7.9785 119.7760 59.5074 32.3069 178.6236 56 I 3.8344 7.5137 119.0778 64.6273 37.1116 177.5224 57 H 4.3782 8.0628 117.7451 59.3070 29.7359 177.4911 58 R 4.0247 7.8193 115.1815 56.1535 29.8852 176.2817 *60 I 3.8951 7.2107 118.9143 60.8578 38.5311 175.2501 61 D 4.4946 8.3171 123.7889 54.1766 41.6927 176.6867 62 E 4.7977 8.8475 122.9088 57.5774 29.7365 178.3334 63 S 4.3005 8.1869 113.3975 60.2811 63.8775 174.4887 64 Q 4.5173 8.3506 118.6947 56.8564 31.3285 175.6476 65 V 4.8399 7.6369 117.9951 60.9722 34.8128 173.3571 66 Q 4.8188 8.8385 129.1653 54.5408 30.8533 174.0426 67 V 4.5970 8.3749 126.5045 61.5935 33.1277 174.8458 68 I 4.9414 8.6987 128.2052 59.5257 40.9793 174.4921 69 G 4.6564 9.8331 114.3950 45.0358 0.0000 172.2575 70 L 5.1243 9.3370 126.9360 53.4565 45.2350 174.8497 71 H 4.1282 9.4053 128.2024 55.3052 30.5216 174.2452 72 S 4.8019 8.0556 123.6481 56.7696 63.6333 173.8147 73 V 3.9560 7.9698 124.9888 61.3934 31.9030 175.5898 74 F 5.5002 8.7701 120.8291 55.4751 38.7734 174.7386 75 E 4.4501 6.8745 117.7131 55.9730 32.5842 173.9404 76 H 4.0907 8.5314 114.0214 57.1030 26.3852 176.9301 77 H 4.0839 8.4566 117.3559 58.9170 28.9761 177.2687 78 D 4.4714 8.0726 117.6532 55.9728 39.4040 176.2453 79 V 3.8815 7.2438 119.1714 63.2680 31.8848 175.8241 *81 T 4.1632 7.6558 108.0891 60.6218 71.3125 171.4773 82 P 4.3261 0.0000 0.0000 66.2157 31.0780 179.5284 83 E 4.0135 8.1747 116.6292 61.0930 29.7535 181.6613 84 A 4.2343 7.8631 121.8601 54.8599 18.3663 179.4862 85 L 3.9410 8.1580 118.9617 58.2589 41.9859 179.3863 86 K 4.0297 7.9750 118.2416 59.4166 31.9773 179.5174 87 V 3.6494 7.6925 118.7015 65.8389 31.4744 177.8392 88 F 4.2535 8.3375 120.4958 61.4311 39.2420 177.1414 89 I 3.6561 8.1660 119.5164 64.3202 36.7986 177.9643 90 D 4.2634 7.9168 118.7758 57.4833 40.9133 178.0962 91 E 3.9072 8.0557 117.6590 59.0241 29.5793 178.5058 92 F 4.2401 8.0898 114.5867 56.0640 39.4477 175.8330 93 G 3.8785 7.5909 106.3850 46.3816 0.0000 174.2448 94 I 3.8306 7.6178 120.9025 60.7178 37.2781 176.5649 95 K 4.3578 8.2641 123.9388 55.9923 33.3272 176.5731 96 F 4.5113 7.0704 113.7774 55.2488 39.1543 173.3387 97 P 4.7952 0.0000 0.0000 62.7844 32.7219 175.4363 98 V 5.1245 9.8707 124.0497 61.1517 34.3575 174.1267 99 A 4.8262 9.3251 129.3439 49.9607 22.5341 174.8455 100 V 4.4836 7.8941 120.0566 59.9554 33.2694 175.5485 101 D 4.9431 8.4989 129.4290 53.3135 42.6948 177.1597 *103 P 4.1718 0.0000 0.0000 62.2824 32.2354 175.3347 104 R 4.4939 8.1557 120.9839 54.6597 31.9314 176.3294 105 E 4.1496 8.6254 119.5180 57.3308 30.0360 174.4389 106 G 4.0641 9.1443 112.5685 44.2631 0.0000 173.0666 107 Q 4.6768 7.4786 117.8488 53.7384 32.1533 176.0553 108 R 4.0339 8.5760 120.6015 59.0293 30.4928 177.0215 109 I 4.3831 7.5662 118.8696 59.7319 37.7534 174.0777 110 P 4.5406 0.0000 0.0000 61.9719 32.5779 176.5810 111 S 4.1478 8.6022 113.1124 62.0207 62.5454 177.7939 112 T 4.0122 8.4378 115.3138 63.8530 67.7156 176.2827 *114 K 4.0786 8.2327 124.1858 56.3615 33.8532 177.5989 115 K 3.6951 7.9868 118.4180 59.2753 31.9622 176.8430 116 Y 4.6622 7.5949 113.1969 56.8302 38.4573 175.4243 117 R 3.7307 7.6596 115.8597 56.9026 28.7620 176.8931 118 L 4.1432 7.6338 115.6970 55.6812 42.5703 178.2312 119 E 3.8121 8.6468 121.9981 57.2395 29.9891 177.9434 120 G 3.6984 6.6537 104.1762 45.4568 0.0000 171.1922 121 T 5.0525 8.2562 110.5006 59.1151 71.8412 172.4445 122 P 4.9328 0.0000 0.0000 63.1417 33.1308 175.0792 123 S 5.3360 8.9590 116.1721 57.0263 67.7473 172.9233 124 I 5.0311 8.7133 122.6091 59.6304 40.5125 174.6050 125 I 4.9476 8.6251 126.5288 59.4876 40.1831 174.3209 126 L 5.2287 8.7445 126.7834 52.9175 43.9935 175.4613 127 A 5.2732 8.7494 125.1564 50.0710 22.6837 176.0433 128 D 4.9045 8.5444 119.9729 52.1179 41.4673 177.5529 129 R 4.1168 8.3564 116.0175 58.3758 30.0381 178.3725 130 K 4.2822 8.2666 115.2920 55.9475 32.3576 176.9230 131 G 3.9019 8.4912 107.9951 45.7824 0.0000 173.1976 132 R 4.8993 7.9811 115.8655 53.6012 31.3705 175.6572 133 I 4.2405 8.1252 122.4405 61.7177 37.4214 176.0262 134 R 4.6217 8.8449 123.9268 56.5640 32.8272 176.3817 135 Q 4.6091 7.7886 116.3799 54.1722 33.5865 174.0567 136 V 4.8500 8.3687 121.9472 61.1976 34.3841 174.2408 137 Q 4.6146 8.9585 128.7438 54.2658 31.9563 173.8715 138 F 4.7915 9.0906 128.8351 58.9075 40.7047 176.6521 139 G 3.2979 7.3706 112.1393 44.1279 0.0000 172.1354 140 Q 4.0340 8.2263 120.1008 55.7512 29.5897 176.2956 141 V 4.3745 8.1146 124.4701 60.4802 34.0502 175.1728 142 D 4.5632 8.5288 125.8646 54.2102 43.1732 176.6747 143 D 4.3750 8.7289 125.5451 57.5150 40.9848 178.8884 144 F 4.2660 8.2656 120.9256 61.3655 39.3833 177.3211 145 V 3.3538 7.9757 117.3619 65.8281 31.3127 177.5460 146 L 3.9946 7.9865 120.2750 57.9637 41.8447 179.1570 147 G 3.5382 8.1102 105.6883 47.7539 0.0000 175.6140 148 L 3.8338 7.6188 121.5399 57.3333 41.5123 179.6840 149 L 3.9085 7.9149 118.8289 57.7926 41.5993 179.5891 150 L 4.0550 8.1213 119.1686 57.7677 41.5506 179.8265 151 G 3.5955 8.4110 106.0941 47.7998 0.0000 175.6784 152 S 4.1877 7.8142 114.5848 61.1758 62.4877 175.9692 153 L 4.1227 7.7488 121.4108 57.7564 41.1096 179.4658 154 L 4.0314 7.9907 118.4242 56.8836 41.6104 178.6432 155 S 4.6348 7.2493 109.7067 57.0393 63.8231 174.1971 156 E 3.9141 7.9013 123.3614 57.9569 29.8262 177.0522 157 T 4.0421 7.5931 112.2308 61.0107 69.9643 172.6432 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 L 8.14 4.30 0.00 1.72 1.78 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.18 4.26 0.00 2.78 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 6 N 8.44 4.52 0.00 2.71 2.91 0.00 0.00 6.86 7.35 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 7 A 7.46 4.15 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 8 P 0.00 4.61 0.00 2.23 2.25 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 9 L 8.39 4.64 0.00 1.60 1.67 0.94 1.02 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 10 L 8.61 4.13 0.00 1.59 1.70 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.39 4.60 0.00 2.01 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 2.52 2.46 0.00 12 L 8.48 4.16 0.00 1.72 1.60 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.80 4.71 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.01 4.30 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 0.30 0.00 0.00 0.66 0.00 0.00 15 Q 8.78 4.27 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 16 E 7.79 4.80 0.00 2.11 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 2.26 2.34 0.00 17 W 8.76 5.07 0.00 3.29 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 18 V 8.50 3.86 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 0.85 0.00 0.00 0.97 0.00 0.00 19 N 8.01 5.10 0.00 2.86 2.88 0.00 0.00 5.77 7.90 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 20 H 7.83 4.57 0.00 3.16 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.25 4.01 0.00 1.83 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 2.14 2.22 0.00 22 G 8.09 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 0.00 0.00 0.00 23 L 6.62 4.64 0.00 1.47 1.47 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.97 4.75 0.00 4.03 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 25 N 8.73 4.48 0.00 2.79 2.94 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.10 4.04 0.00 2.06 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 2.23 1.97 0.00 27 D 7.87 4.69 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 28 L 8.05 4.12 0.00 1.86 1.73 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.09 4.04 0.00 1.93 1.84 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 30 G 9.32 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 0.00 0.00 0.00 0.00 31 K 7.65 4.82 0.00 2.00 1.66 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.45 7.81 32 V 8.31 3.98 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 0.91 0.00 0.00 0.92 0.00 0.00 33 V 8.80 4.85 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 0.91 0.00 0.00 0.94 0.00 0.00 34 V 8.80 4.64 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 0.88 0.00 0.00 0.89 0.00 0.00 35 V 8.96 4.67 2.09 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 0.93 0.00 0.00 0.95 0.00 0.00 36 E 9.22 4.80 0.00 1.99 1.78 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 2.17 2.34 0.00 37 V 8.86 4.91 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 0.97 0.00 0.00 1.00 0.00 0.00 38 F 9.28 5.29 0.00 3.17 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 39 Q 8.47 4.41 0.00 1.92 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 *41 L 8.46 4.20 0.00 1.58 1.69 0.87 0.80 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 42 C 7.59 4.62 0.00 2.91 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 43 P 0.00 4.40 0.00 2.23 2.11 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 44 G 8.07 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 45 C 8.01 4.18 0.00 3.28 3.11 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 0.00 0.00 0.00 0.00 46 V 7.86 3.64 2.17 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 1.01 0.00 0.00 1.07 0.00 0.00 47 N 8.51 4.59 0.00 2.83 2.92 0.00 0.00 6.81 7.72 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 48 H 8.05 4.72 0.00 3.17 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.34 3.67 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 0.00 0.00 0.00 50 V 8.13 3.55 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 0.99 0.00 0.00 0.73 0.00 0.00 51 P 0.00 4.32 0.00 2.20 2.12 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 52 Q 8.14 3.91 0.00 2.07 2.22 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 2.30 2.33 0.00 53 A 7.96 3.86 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 54 Q 8.31 4.21 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 55 K 7.98 3.95 0.00 1.87 2.03 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 56 I 7.51 3.83 1.97 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 1.38 0.78 0.87 0.00 0.00 57 H 8.06 4.38 0.00 3.16 3.66 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.82 4.02 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 *60 I 7.21 3.90 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.90 0.00 0.00 61 D 8.32 4.49 0.00 2.74 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 62 E 8.85 4.80 0.00 2.01 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 0.00 2.47 2.28 0.00 63 S 8.19 4.30 0.00 4.01 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 64 Q 8.35 4.52 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 65 V 7.64 4.84 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 0.96 0.00 0.00 0.91 0.00 0.00 66 Q 8.84 4.82 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 67 V 8.37 4.60 1.84 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 0.11 0.00 0.00 0.83 0.00 0.00 68 I 8.70 4.94 1.97 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 1.43 0.72 1.15 0.00 0.00 69 G 9.83 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.34 5.12 0.00 1.74 1.57 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.41 4.13 0.00 2.85 2.96 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.06 4.80 0.00 3.74 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 73 V 7.97 3.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.49 0.00 0.00 74 F 8.77 5.50 0.00 3.09 3.05 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 75 E 6.87 4.45 0.00 1.64 1.64 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 1.55 2.00 0.00 76 H 8.53 4.09 0.00 3.24 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.46 4.08 0.00 3.10 3.34 0.00 5.71 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 78 D 8.07 4.47 0.00 2.78 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 79 V 7.24 3.88 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 0.77 0.00 0.00 0.91 0.00 0.00 *81 T 7.66 4.16 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 1.29 0.00 0.00 82 P 0.00 4.33 0.00 2.19 2.15 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 83 E 8.17 4.01 0.00 1.97 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 2.31 1.95 0.00 84 A 7.86 4.23 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 85 L 8.16 3.94 0.00 1.90 1.88 0.92 0.57 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 86 K 7.97 4.03 0.00 2.12 1.88 0.00 1.91 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 87 V 7.69 3.65 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 1.06 0.00 0.00 1.01 0.00 0.00 88 F 8.34 4.25 0.00 3.17 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.17 3.66 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.88 0.00 0.00 90 D 7.92 4.26 0.00 2.74 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 91 E 8.06 3.91 0.00 2.25 1.84 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 2.51 2.58 0.00 92 F 8.09 4.24 0.00 2.50 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.59 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 0.00 0.00 0.00 94 I 7.62 3.83 1.59 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 1.01 0.40 -0.25 0.00 0.00 95 K 8.26 4.36 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.50 7.81 96 F 7.07 4.51 0.00 3.17 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 97 P 0.00 4.80 0.00 2.38 1.92 0.00 3.95 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.77 0.00 98 V 9.87 5.12 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 1.23 0.00 0.00 1.05 0.00 0.00 99 A 9.33 4.83 0.07 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 0.00 0.00 100 V 7.89 4.48 2.09 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 0.92 0.00 0.00 0.91 0.00 0.00 101 D 8.50 4.94 0.00 2.72 1.73 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 *103 P 0.00 4.17 0.00 2.21 2.05 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 104 R 8.16 4.49 0.00 1.84 1.83 0.00 3.08 0.00 0.00 3.61 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 105 E 8.63 4.15 0.00 1.98 1.76 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 2.23 1.88 0.00 106 G 9.14 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 0.00 0.00 0.00 107 Q 7.48 4.68 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 108 R 8.58 4.03 0.00 1.92 2.33 0.00 3.40 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 109 I 7.57 4.38 1.84 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 1.45 0.67 0.84 0.00 0.00 110 P 0.00 4.54 0.00 2.49 2.04 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 111 S 8.60 4.15 0.00 3.83 3.84 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 0.00 112 T 8.44 4.01 4.44 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 1.35 0.00 0.00 *114 K 8.23 4.08 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.32 7.81 115 K 7.99 3.70 0.00 1.63 1.43 0.00 0.96 0.00 0.00 1.14 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.90 1.14 7.81 116 Y 7.59 4.66 0.00 3.05 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 0.00 117 R 7.66 3.73 0.00 2.01 2.01 0.00 3.07 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 118 L 7.63 4.14 0.00 1.62 1.67 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.65 3.81 0.00 1.16 1.32 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 2.09 2.13 0.00 120 G 6.65 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 0.00 121 T 8.26 5.05 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 1.43 0.00 0.00 122 P 0.00 4.93 0.00 2.14 2.26 0.00 3.49 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 123 S 8.96 5.34 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.71 5.03 1.87 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 1.33 1.07 0.94 0.00 0.00 125 I 8.63 4.95 1.82 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 1.15 0.66 0.75 0.00 0.00 126 L 8.74 5.23 0.00 1.55 1.52 0.89 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 0.00 127 A 8.75 5.27 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 0.00 128 D 8.54 4.90 0.00 2.87 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 0.00 129 R 8.36 4.12 0.00 1.89 2.02 0.00 3.38 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 130 K 8.27 4.28 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.42 7.81 131 G 8.49 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 0.00 132 R 7.98 4.90 0.00 2.14 2.03 0.00 2.77 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 133 I 8.13 4.24 1.76 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.41 0.75 0.00 0.00 134 R 8.84 4.62 0.00 1.59 1.91 0.00 3.28 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 135 Q 7.79 4.61 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 136 V 8.37 4.85 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 0.79 0.00 0.00 0.85 0.00 0.00 137 Q 8.96 4.61 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 138 F 9.09 4.79 0.00 3.01 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 0.00 139 G 7.37 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 0.00 0.00 0.00 140 Q 8.23 4.03 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.62 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 141 V 8.11 4.37 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 0.86 0.00 0.00 0.97 0.00 0.00 142 D 8.53 4.56 0.00 2.87 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.73 4.38 0.00 2.87 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 0.00 144 F 8.27 4.27 0.00 3.04 3.31 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 0.00 145 V 7.98 3.35 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 0.94 0.00 0.00 0.97 0.00 0.00 146 L 7.99 3.99 0.00 1.90 1.77 0.89 1.04 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 0.00 147 G 8.11 3.54 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 0.00 0.00 0.00 148 L 7.62 3.83 0.00 1.66 1.55 0.57 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.91 3.91 0.00 1.76 1.67 0.88 0.43 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 0.00 150 L 8.12 4.05 0.00 1.64 1.68 0.89 0.92 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 0.00 151 G 8.41 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 0.00 0.00 0.00 152 S 7.81 4.19 0.00 3.89 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 0.00 153 L 7.75 4.12 0.00 1.80 1.68 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.99 4.03 0.00 1.84 1.72 0.94 0.74 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 0.00 155 S 7.25 4.63 0.00 4.05 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 0.00 156 E 7.90 3.91 0.00 2.15 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 2.34 2.24 0.00 157 T 7.59 4.04 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 * Residues marked with a * may have inaccurate shift predictions.