NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4950 8.3331 119.6386 55.8852 30.1024 174.6334 3 G 3.8122 8.7160 111.3278 44.2684 0.0000 171.4928 4 D 4.5719 9.2922 121.3834 53.5051 42.4393 174.0147 5 P 4.2747 0.0000 0.0000 65.7122 31.3856 178.7993 6 D 4.3738 8.6936 118.3960 57.1486 40.6787 178.9183 7 V 3.5943 7.9549 118.3888 65.9465 31.6568 177.9250 8 L 3.9758 8.1293 118.9005 57.7117 41.4393 179.4745 9 R 3.8812 8.0108 118.7213 59.3410 30.0608 178.3671 10 L 3.9682 7.8958 120.1091 58.0550 42.0573 178.9185 11 L 3.9912 8.1219 119.0764 58.0076 41.6176 179.3414 12 N 4.3616 8.3036 116.2982 56.0430 38.4508 177.4661 13 E 3.9339 8.2032 120.3073 59.4703 29.5209 179.1166 14 Q 3.9455 8.1213 119.5998 58.9224 29.0701 177.9652 15 L 3.8313 8.0447 121.5064 58.4732 42.2522 179.0408 16 T 3.7557 7.8802 115.6287 66.6512 68.2531 176.5357 17 S 4.0477 7.8782 114.8954 61.2016 62.4042 176.0044 18 E 3.8514 8.1863 121.4190 59.5413 29.3791 179.3700 19 L 3.9551 7.8297 118.8222 57.9386 41.5370 179.8797 20 T 3.7519 7.7169 115.1175 66.5655 68.3665 176.6361 21 A 3.3389 7.9149 122.7613 54.7812 18.2570 179.7416 22 I 3.5047 7.9000 118.6520 64.5546 37.1333 178.4442 23 N 4.2968 7.7937 116.6982 56.2441 38.3008 177.2762 24 Q 3.8599 8.0188 120.8667 59.5128 29.1980 177.9284 25 Y 4.4049 8.1487 118.1339 61.1240 37.8927 178.4380 26 F 3.9812 8.4603 121.6170 61.1121 39.2884 176.9638 27 L 3.9180 8.0537 118.9611 58.5509 42.0041 178.1477 28 H 4.3009 8.2561 115.5443 59.0449 28.9190 177.5905 29 S 4.4259 8.0439 115.9899 61.0531 62.8431 176.8163 30 K 3.9325 7.4216 119.5963 56.7479 31.6373 178.8257 *32 Q 4.4100 8.0307 120.4016 56.1473 30.9535 177.1590 33 D 4.3501 8.0454 117.1704 57.2496 41.3501 177.9095 34 N 4.3102 7.8028 116.3051 56.1967 38.9689 175.7974 35 W 4.4827 7.7866 116.2154 57.4534 29.4105 176.7702 36 G 3.8933 7.7322 105.6767 45.5381 0.0000 175.0845 37 F 4.9362 7.8207 121.5577 57.1007 35.0171 176.5156 38 T 4.1231 7.6252 111.9122 64.6676 69.1123 176.7189 39 E 4.0005 7.8975 120.5033 59.1968 29.8353 178.6265 40 L 4.1674 8.0035 119.7275 58.0545 42.1992 178.4210 41 A 4.2338 8.4799 121.9012 54.6605 17.9380 179.4825 42 A 3.9070 7.7511 118.0031 55.3023 18.4835 179.5111 43 H 4.0356 8.2052 116.9058 59.8820 30.1420 177.6485 44 T 3.9144 8.0006 117.0821 66.6217 68.4004 176.3409 45 R 3.9578 8.3357 120.6503 59.4484 30.0757 178.5051 46 A 4.1625 7.8360 120.2944 55.1268 18.4437 179.3331 47 E 3.8548 8.0635 116.8557 59.6368 29.2568 179.5520 48 S 4.2785 7.8670 112.0278 61.5839 62.5964 176.0491 49 F 4.1956 8.1616 118.6597 59.9599 38.9480 176.9792 50 D 4.5025 8.1483 118.3933 56.9442 41.2733 178.2036 51 E 4.5581 8.1160 120.1162 56.2103 29.4745 179.0422 *53 R 4.3005 7.9881 120.3759 56.8163 32.4321 176.8286 54 H 4.2935 8.0374 114.2417 58.9098 28.6414 177.5225 55 A 3.9847 8.5473 122.9183 55.2290 18.0417 179.3521 56 E 3.9940 8.0326 117.2665 59.2359 29.8756 178.5842 57 E 3.9718 8.3090 118.6663 59.5184 29.5195 179.3820 58 I 3.7105 7.8338 119.6419 64.6770 37.1838 178.3801 59 T 3.9520 7.9132 116.5183 66.9361 68.3702 176.0971 60 D 4.3768 8.3344 120.6317 57.4223 41.0068 178.9038 61 R 3.8893 8.0489 118.9207 59.5731 30.0294 178.4335 62 I 3.7273 8.1016 119.9152 64.6261 37.2557 178.4915 63 L 4.0013 8.1381 119.6667 57.5608 41.2042 179.2717 64 L 4.0940 7.8825 119.5303 57.2808 42.1924 177.8729 65 L 4.4663 7.5832 117.3434 53.9940 41.4064 176.8017 66 D 4.6478 7.6995 116.8225 55.1861 38.5947 174.3237 67 G 3.9055 8.0744 108.8979 44.3495 0.0000 173.4314 68 L 4.6008 8.0174 120.6698 52.1200 43.2793 174.1957 69 P 4.4325 0.0000 0.0000 62.6174 31.8007 175.8383 70 N 4.6629 9.1575 122.6882 53.2968 38.0853 173.6939 71 Y 4.4508 8.6315 122.5242 57.7058 38.5186 176.4144 72 Q 4.3875 8.6075 123.3340 56.5259 30.5940 175.7779 73 R 4.4471 7.9808 117.4083 54.6400 31.2862 174.8815 74 I 4.5052 8.0041 124.0509 58.9103 41.0736 175.0159 75 G 3.8953 8.5243 115.6353 44.4329 0.0000 173.1287 76 S 4.3707 8.2850 115.6235 57.5915 63.1860 174.6114 77 L 4.1141 8.4657 126.3874 54.2948 42.0804 176.5757 78 R 4.4618 8.6065 119.9535 54.5298 30.2428 175.5280 79 I 4.4807 8.2988 124.6406 59.1966 38.3178 176.1597 80 G 3.8723 8.8142 114.8310 45.6639 0.0000 172.9915 81 Q 4.8406 8.8208 119.6520 55.8537 29.9325 176.0179 82 T 4.4234 7.3441 108.1657 58.5502 73.4406 174.4321 83 L 3.7085 8.1700 121.0210 58.0425 41.5443 179.7743 84 R 3.8938 7.7741 117.7713 59.5990 30.0373 178.1618 85 E 3.9737 7.8700 118.2804 59.4173 29.3101 179.4558 86 Q 3.8127 7.9232 118.0566 58.9263 28.7573 178.7310 87 F 4.5226 7.8075 118.7248 60.8405 38.8506 177.6692 88 E 4.0515 8.6087 118.1104 59.2375 29.3804 179.3085 89 A 4.0900 8.6037 121.3892 55.3340 18.3570 179.4994 90 D 4.6972 8.6037 117.7838 57.4456 40.9127 178.6725 91 L 3.7554 8.2369 120.7454 57.9868 41.8529 178.9312 92 A 4.1967 7.9550 120.5870 55.1712 18.2988 179.6634 93 I 3.7120 7.5129 117.2698 64.5618 37.2015 178.4782 94 E 3.9999 7.9738 119.4854 59.7232 29.2091 179.0658 95 Y 4.3810 7.7749 116.6940 61.2898 37.9900 178.3184 96 D 4.4233 8.1068 119.8849 57.4034 40.8903 179.0901 97 V 3.6338 7.8204 118.7608 65.9246 31.5189 178.1609 98 L 4.0325 8.0059 118.7191 57.9914 41.3009 179.1739 99 N 4.3666 8.3751 115.5466 56.0738 38.4619 176.7580 100 R 4.2137 7.9181 119.1480 58.4950 30.4002 178.2084 101 L 4.1216 8.0934 118.6428 56.9246 41.5501 179.1947 102 K 3.9293 7.8289 117.9748 59.3053 32.3070 177.2917 103 P 4.4941 0.0000 0.0000 65.2660 31.0651 178.8311 104 G 3.7977 7.5231 103.8969 47.9709 0.0000 175.4141 105 I 3.9320 8.0656 122.5440 63.9166 37.1354 179.5466 106 V 3.5062 7.2081 115.0685 63.7433 30.9751 177.2562 *108 C 4.5082 8.1965 117.7624 59.4272 29.9280 176.5284 109 R 3.9883 7.8945 118.2403 58.9504 29.8658 178.8248 110 E 3.9792 8.0692 116.7811 58.7014 29.5008 177.7494 111 K 4.2828 7.8606 115.7187 56.0574 32.3048 176.8557 112 Q 3.7832 7.9055 116.9207 56.9102 26.5624 174.4661 113 D 4.7921 7.9325 120.4034 53.0450 39.7981 176.3773 114 T 3.9840 7.9035 115.4345 64.3226 69.4326 176.8938 115 T 3.8497 7.8322 118.1478 66.6631 68.6582 176.6402 116 S 4.1546 8.1716 116.7947 61.3284 62.7943 176.7044 117 A 3.9622 7.7172 123.6400 55.1633 18.1500 179.8443 118 V 3.5465 8.4043 117.1604 65.9064 31.5320 177.7152 119 L 3.9284 7.9262 120.1106 58.5101 41.8096 179.1607 120 L 4.0532 7.8911 118.3738 57.4872 41.5355 179.1787 121 E 4.0135 8.8360 121.6252 60.0993 29.4260 180.1990 122 K 4.0498 8.2319 123.6216 59.8284 31.6559 181.0587 123 I 3.8108 7.5271 120.5060 64.0874 36.9210 178.5842 124 V 3.5552 8.0519 119.1370 65.9833 31.1536 177.7391 125 A 4.0013 7.9997 120.3502 55.4096 18.3030 179.3355 126 D 4.3724 8.0868 117.1450 57.7538 40.9612 179.0210 127 E 4.0909 8.4707 119.1477 59.3405 29.4554 179.0482 128 E 4.0307 8.4810 118.9147 59.7281 29.5566 179.3976 129 E 4.0553 8.0343 118.4144 59.5166 29.4667 178.8562 130 H 4.3505 8.2062 118.2491 59.0493 29.9371 177.2956 131 I 3.5056 8.3647 122.0979 64.3796 36.8859 177.6536 132 D 4.3032 7.9980 118.6535 57.5158 41.0242 177.6341 133 Y 3.9859 7.9097 119.6888 60.7580 38.9314 178.1430 134 L 3.3121 7.9207 119.7126 57.7395 41.7188 179.4386 135 E 3.8874 8.4611 118.7294 59.7041 29.3566 179.6548 136 T 3.8010 7.9175 115.9762 66.5084 68.2161 176.8899 137 Q 3.6787 7.2373 119.2194 58.6801 28.5995 178.4438 138 L 3.9397 7.1253 118.7889 57.7422 42.0273 179.0882 139 E 4.0878 7.9989 118.5496 58.9558 29.4286 179.2182 140 L 4.3045 7.6303 119.4395 54.9681 41.7465 178.9309 *142 D 4.6359 8.1047 120.2266 54.4163 42.9666 177.6200 143 K 4.1440 7.9781 117.3787 59.1176 32.1995 178.2837 144 L 4.1814 8.3816 117.8110 54.8943 42.4167 178.2221 145 G 4.1178 8.0772 103.7869 45.9629 0.0000 174.1108 146 E 3.9809 8.7247 120.6348 59.1863 29.5783 179.5372 147 E 3.9915 8.1653 118.0941 59.5670 29.4142 179.1577 148 L 4.0163 7.8476 118.2909 58.1160 42.5083 177.8862 149 Y 4.1021 8.2488 119.6473 60.8323 38.7166 177.9689 150 S 4.0270 8.6737 116.3096 61.6007 63.0633 176.6037 151 A 4.0976 8.0853 123.0872 54.7978 17.8812 178.9247 152 Q 4.1626 7.7151 114.6768 57.2945 29.2947 176.3261 153 C 4.5129 8.2053 117.6936 59.5350 29.0957 173.8486 154 V 4.5770 7.1154 112.6470 59.6284 33.0388 175.5210 155 S 4.4925 8.2163 116.5304 57.5155 64.3870 173.7389 156 R 4.4229 8.1694 118.9850 53.7098 31.0012 174.2288 157 P 4.6289 0.0000 0.0000 60.7281 32.6917 174.3276 158 P 4.5743 0.0000 0.0000 63.0741 32.4772 176.7962 159 T 4.6405 7.4476 113.0616 61.0397 69.5215 172.0062 160 S 4.4238 8.0699 112.5598 57.7583 65.1703 175.2142 161 A 3.8711 8.4573 121.7548 52.9233 17.6945 177.7411 162 W 4.6509 7.9106 122.3017 57.5577 30.4550 174.5582 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.33 4.49 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 3 G 8.72 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 4 D 9.29 4.57 0.00 2.82 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 5 P 0.00 4.27 0.00 2.20 2.08 0.00 3.65 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 2.11 2.17 0.00 6 D 8.69 4.37 0.00 2.88 2.71 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 7 V 7.95 3.59 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 1.19 0.00 0.00 0.98 0.00 0.00 8 L 8.13 3.98 0.00 1.87 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.01 3.88 0.00 1.96 2.08 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 10 L 7.90 3.97 0.00 1.82 1.80 0.92 0.68 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 11 L 8.12 3.99 0.00 1.89 1.70 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.30 4.36 0.00 2.86 2.85 0.00 0.00 7.07 6.96 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 13 E 8.20 3.93 0.00 2.25 1.98 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 2.32 2.30 0.00 14 Q 8.12 3.95 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 15 L 8.04 3.83 0.00 1.79 1.74 0.67 0.64 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 16 T 7.88 3.76 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 1.22 0.00 0.00 17 S 7.88 4.05 0.00 3.89 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.19 3.85 0.00 2.07 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 2.57 2.46 0.00 19 L 7.83 3.96 0.00 1.55 1.58 0.51 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.72 3.75 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 1.14 0.00 0.00 21 A 7.91 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.90 3.50 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.74 0.00 0.00 23 N 7.79 4.30 0.00 2.77 2.83 0.00 0.00 6.73 7.58 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 24 Q 8.02 3.86 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 25 Y 8.15 4.40 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 26 F 8.46 3.98 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.05 3.92 0.00 1.74 1.73 0.91 1.16 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 28 H 8.26 4.30 0.00 3.38 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.04 4.43 0.00 4.16 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 30 K 7.42 3.93 0.00 1.75 1.68 0.00 1.31 0.00 0.00 0.98 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.02 1.47 7.81 *32 Q 8.03 4.41 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 33 D 8.05 4.35 0.00 2.79 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 34 N 7.80 4.31 0.00 2.70 2.55 0.00 0.00 7.33 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.79 4.48 0.00 3.61 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 36 G 7.73 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 0.00 0.00 0.00 37 F 7.82 4.94 0.00 3.40 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.63 4.12 4.22 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 1.25 0.00 0.00 39 E 7.90 4.00 0.00 2.10 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 2.41 2.53 0.00 40 L 8.00 4.17 0.00 1.84 1.92 1.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.48 4.23 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.75 3.91 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 43 H 8.21 4.04 0.00 3.25 3.49 0.00 5.60 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 44 T 8.00 3.91 4.26 0.00 0.00 0.00 0.00 0.00 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 45 R 8.34 3.96 0.00 1.93 2.15 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 46 A 7.84 4.16 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 0.00 0.00 0.00 0.00 0.00 47 E 8.06 3.85 0.00 2.10 1.80 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 2.37 2.29 0.00 48 S 7.87 4.28 0.00 4.16 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 49 F 8.16 4.20 0.00 3.24 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 50 D 8.15 4.50 0.00 2.99 2.63 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 51 E 8.12 4.56 0.00 2.17 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 2.67 2.43 0.00 *53 R 7.99 4.30 0.00 1.89 2.12 0.00 3.28 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 54 H 8.04 4.29 0.00 3.50 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.55 3.98 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 56 E 8.03 3.99 0.00 2.09 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 0.00 2.40 2.44 0.00 57 E 8.31 3.97 0.00 2.24 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 2.36 2.39 0.00 58 I 7.83 3.71 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.90 0.00 0.00 59 T 7.91 3.95 4.49 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 1.35 0.00 0.00 60 D 8.33 4.38 0.00 2.90 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 61 R 8.05 3.89 0.00 1.94 2.09 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 62 I 8.10 3.73 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 1.53 0.70 0.96 0.00 0.00 63 L 8.14 4.00 0.00 1.85 1.72 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.88 4.09 0.00 1.81 1.84 0.93 0.80 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 65 L 7.58 4.47 0.00 1.89 1.73 0.92 0.87 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 66 D 7.70 4.65 0.00 2.86 2.80 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 67 G 8.07 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 0.00 0.00 0.00 0.00 68 L 8.02 4.60 0.00 1.59 1.58 0.93 0.95 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 69 P 0.00 4.43 0.00 2.37 2.18 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 70 N 9.16 4.66 0.00 2.67 2.72 0.00 0.00 7.09 8.39 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 71 Y 8.63 4.45 0.00 2.90 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 72 Q 8.61 4.39 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 73 R 7.98 4.45 0.00 1.79 1.77 0.00 3.21 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 74 I 8.00 4.51 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 0.89 0.00 0.00 75 G 8.52 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 76 S 8.29 4.37 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.47 4.11 0.00 1.63 1.59 0.90 0.88 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 78 R 8.61 4.46 0.00 1.99 1.97 0.00 3.10 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 79 I 8.30 4.48 1.93 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 1.35 0.64 0.99 0.00 0.00 80 G 8.81 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 81 Q 8.82 4.84 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 82 T 7.34 4.42 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 83 L 8.17 3.71 0.00 1.49 1.41 0.33 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 84 R 7.77 3.89 0.00 1.81 1.88 0.00 3.16 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 85 E 7.87 3.97 0.00 2.19 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 2.34 2.34 0.00 86 Q 7.92 3.81 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.94 2.53 0.00 87 F 7.81 4.52 0.00 3.14 2.87 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 88 E 8.61 4.05 0.00 2.25 2.05 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 2.38 2.38 0.00 89 A 8.60 4.09 1.54 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 90 D 8.60 4.70 0.00 2.80 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 91 L 8.24 3.76 0.00 1.94 1.83 0.59 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.95 4.20 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 93 I 7.51 3.71 2.14 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.59 0.90 0.00 0.00 94 E 7.97 4.00 0.00 1.83 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 2.66 2.50 0.00 95 Y 7.77 4.38 0.00 3.06 2.91 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 0.00 96 D 8.11 4.42 0.00 2.87 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 97 V 7.82 3.63 2.30 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 1.05 0.00 0.00 0.98 0.00 0.00 98 L 8.01 4.03 0.00 2.04 1.77 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.38 4.37 0.00 2.86 2.91 0.00 0.00 7.00 7.77 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.89 3.99 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 110 E 8.07 3.98 0.00 1.99 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 2.35 2.39 0.00 111 K 7.86 4.28 0.00 1.86 1.83 0.00 2.02 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.39 7.81 112 Q 7.91 3.78 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 113 D 7.93 4.79 0.00 2.68 2.63 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 0.00 114 T 7.90 3.98 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 0.00 115 T 7.83 3.85 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 0.00 116 S 8.17 4.15 0.00 3.86 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 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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 0.00 134 L 7.92 3.31 0.00 1.69 1.50 0.70 0.84 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 0.00 135 E 8.46 3.89 0.00 2.08 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 2.36 2.44 0.00 136 T 7.92 3.80 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 1.12 0.00 0.00 137 Q 7.24 3.68 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.33 0.00 138 L 7.13 3.94 0.00 1.67 1.63 0.90 0.81 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 0.00 139 E 8.00 4.09 0.00 2.07 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 0.00 2.28 2.29 0.00 140 L 7.63 4.30 0.00 1.81 1.82 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *142 D 8.10 4.64 0.00 2.78 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 0.00 143 K 7.98 4.14 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 144 L 8.38 4.18 0.00 1.74 1.78 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.08 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 0.00 146 E 8.72 3.98 0.00 2.02 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 2.35 2.37 0.00 147 E 8.17 3.99 0.00 2.08 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 2.42 2.45 0.00 148 L 7.85 4.02 0.00 1.65 1.85 0.94 0.93 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 0.00 149 Y 8.25 4.10 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.67 4.03 0.00 4.16 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.09 4.10 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 0.00 152 Q 7.72 4.16 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 153 C 8.21 4.51 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.12 4.58 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 0.93 0.00 0.00 1.00 0.00 0.00 155 S 8.22 4.49 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.17 4.42 0.00 1.78 1.89 0.00 3.20 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 157 P 0.00 4.63 0.00 2.16 2.06 0.00 3.52 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 158 P 0.00 4.57 0.00 2.05 2.01 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 159 T 7.45 4.64 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 1.27 0.00 0.00 160 S 8.07 4.42 0.00 4.13 4.07 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 0.00 161 A 8.46 3.87 0.19 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 0.00 162 W 7.91 4.65 0.00 3.44 2.92 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 * Residues marked with a * may have inaccurate shift predictions.