NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5583 8.3601 120.5307 54.3965 41.4848 173.6286 3 A 4.6157 7.8224 128.7927 47.8935 21.7307 171.4493 4 P 3.9787 0.0000 0.0000 63.5431 31.1980 174.7197 5 R 3.5262 7.5582 123.2745 55.8509 26.4366 177.1584 6 L 4.2891 8.6225 121.6536 55.8293 41.9713 178.5963 7 T 4.2536 7.8485 108.6816 62.7753 69.6441 175.7920 8 G 3.7264 7.8238 107.7391 43.5125 0.0000 170.3971 9 A 3.4951 8.6600 126.0623 51.6099 17.4115 176.5052 10 D 4.1839 9.2051 123.3633 57.1047 42.1341 179.4298 11 R 3.5040 8.6500 121.4482 58.9470 25.7448 172.5404 12 P 3.8589 0.0000 0.0000 61.4741 33.4756 177.5313 13 M 3.2277 8.7948 119.1477 55.7889 30.1156 177.4892 14 S 4.0709 7.7864 114.1353 62.2652 62.5017 171.9714 15 E 4.4387 7.3630 117.0146 54.5947 30.6824 175.5621 16 V 4.4080 7.9267 126.4962 60.7686 34.5776 174.3135 17 A 4.2945 8.4701 128.2440 51.1205 19.6646 176.6685 18 A 4.4944 8.3221 125.6157 49.7691 19.7424 175.4923 19 P 4.4083 0.0000 0.0000 62.2093 32.0810 174.6469 20 P 4.4554 0.0000 0.0000 61.9840 32.0940 176.0827 21 L 3.8108 8.3895 119.2825 54.9964 42.0396 175.6851 22 P 4.5991 0.0000 0.0000 61.9300 32.7225 175.1114 23 E 4.6151 8.2930 118.4385 55.1036 31.6344 175.7718 24 T 4.3094 8.5226 118.9855 64.1533 69.6210 173.8559 25 I 4.2629 8.5347 125.9966 60.6990 37.3105 176.0317 26 T 4.2148 8.5458 123.9709 63.5901 69.3806 174.7534 27 D 4.4105 7.9108 121.7253 53.5341 39.0536 178.3735 28 D 4.8856 8.5721 128.3797 53.7380 39.9253 176.8795 29 R 4.4130 8.5894 119.9675 54.4955 30.8328 177.3352 30 R 4.0515 8.4968 122.3376 56.6851 30.7826 176.6415 31 V 3.8460 8.3890 119.6047 63.0528 32.5366 176.8540 32 G 3.8055 8.4038 107.3807 46.3386 0.0000 172.7439 33 R 4.5761 8.1233 123.4768 54.7316 32.8473 175.0866 34 N 4.9106 8.4032 114.2266 54.1330 40.3067 174.8932 35 Y 4.9504 6.9919 113.4335 54.0694 41.3842 173.2174 36 P 4.3778 0.0000 0.0000 63.5342 31.8710 176.0311 37 E 3.6260 8.7239 115.2049 57.4460 27.2212 174.5563 38 Q 4.1365 7.6560 120.2442 53.3738 28.8658 173.5201 39 P 4.1891 0.0000 0.0000 62.4862 31.2506 174.4605 40 P 4.2684 0.0000 0.0000 62.7667 31.8863 176.0497 41 V 4.0995 7.9390 120.2965 61.7852 32.5172 175.8528 42 I 3.9195 8.5811 127.3716 60.1942 36.6519 175.0954 43 P 4.5541 0.0000 0.0000 63.6793 31.7308 175.0262 44 H 5.0658 7.3101 114.1488 53.8194 31.3364 172.7327 45 S 4.4616 8.4586 113.0063 58.2645 63.4855 173.4001 46 I 3.8836 7.8549 122.3210 63.8037 40.2269 181.0160 47 E 3.1384 8.2968 113.4971 56.9616 29.9019 176.7420 48 G 3.7790 8.8167 120.5582 47.6270 0.0000 173.6564 49 Y 4.5017 8.2752 119.5710 58.3455 38.4022 175.2637 50 Q 4.6369 8.8441 125.4500 54.4443 31.6387 174.0694 51 L 4.9966 8.6156 125.6177 53.3135 43.2340 175.3514 52 S 4.8222 9.4461 119.5374 56.9471 66.0709 174.9175 53 V 3.9050 8.6554 118.7325 65.6414 31.2772 176.6313 54 N 4.7750 7.5529 115.3042 53.5214 39.8070 174.5275 55 A 4.6206 7.8162 119.4177 51.0735 22.3006 175.0722 56 N 4.8077 8.2159 118.1134 50.5636 40.0733 174.2325 57 R 3.8456 8.8324 126.2925 59.5754 30.0789 177.6189 58 C 4.0514 7.8977 115.6459 62.7852 28.0049 175.3830 59 L 4.4072 7.8291 116.9380 56.0103 41.1857 178.4690 60 E 4.1233 7.9350 119.3912 58.3135 29.5408 177.0704 61 C 4.4841 7.8710 114.4941 60.3522 30.3519 173.3922 62 H 4.8366 7.9384 117.4087 54.2848 27.7630 174.4992 63 R 4.8012 7.9460 119.1466 55.1696 33.3963 173.6261 64 R 4.6878 8.7795 119.4842 55.0978 33.1401 176.2672 65 Q 4.6427 8.3311 120.7324 53.7553 31.6883 171.6012 66 Y 4.4667 8.4198 116.5794 57.9206 38.0866 178.1194 67 S 3.7386 10.2173 118.5894 60.1710 62.4330 173.4490 68 G 4.0361 8.5022 114.5152 46.5913 0.0000 174.5075 69 L 4.3480 8.0019 119.0281 53.8888 42.6458 176.1873 70 V 4.2240 8.1191 119.1879 61.0947 33.3958 174.5154 71 A 4.6648 8.1292 128.1020 49.9248 22.4569 174.6698 72 A 4.1728 8.3163 122.8010 50.9261 19.0447 176.1523 73 P 4.3482 0.0000 0.0000 63.2495 31.8605 176.1585 74 M 4.7650 8.2056 119.2910 54.8884 33.4302 175.5876 75 I 4.5166 7.2253 111.0909 59.2510 40.6138 174.6069 76 S 4.2973 8.2942 117.3165 58.0444 63.8887 175.1173 77 I 3.1326 8.0534 122.7905 62.9433 36.7478 177.9854 78 T 4.1169 7.7802 110.8592 63.7938 68.8855 174.9256 79 H 4.8593 8.5052 118.8012 56.4542 29.1177 175.9877 80 F 4.7866 8.4572 120.1544 57.0410 39.5377 175.4751 81 Q 5.4036 7.5852 116.7451 54.7870 29.5931 175.4821 82 D 4.7642 8.3205 121.3313 51.3092 41.4370 175.4649 83 R 4.0045 8.2100 119.1231 58.5833 30.0871 176.1465 84 E 4.0165 8.8462 122.8058 55.3194 26.9946 176.1729 85 G 3.9810 8.5053 106.1325 45.6748 0.0000 174.3487 86 Q 4.1012 7.7895 119.1204 56.4673 30.0936 175.5083 87 M 4.7037 8.4713 122.8656 54.0016 32.9659 175.5717 88 L 4.3104 8.6849 126.7773 54.0278 43.5549 177.0827 89 A 4.3558 8.2108 120.4539 51.4970 18.6096 176.8118 90 D 3.3700 6.8451 119.5450 54.5974 44.8158 176.3315 91 V 3.5701 7.2642 121.5177 63.4778 31.6809 175.9412 92 S 4.5473 8.4937 121.5132 56.8000 64.3167 172.6658 93 P 4.3694 0.0000 0.0000 65.3596 31.3802 177.2099 94 R 4.3935 7.1436 114.4118 57.2838 30.0161 176.6592 95 R 4.3107 8.9682 119.1899 56.4594 28.3903 176.7106 96 Y 4.1206 7.7615 118.2596 60.6011 38.7158 177.1317 97 F 4.2391 8.2367 123.5286 56.5237 38.2216 176.1385 98 C 4.2845 8.5848 124.4378 62.9480 28.2014 176.5903 99 T 3.9983 8.1678 107.4792 63.9377 68.2512 174.5189 100 A 4.2050 7.6594 123.4591 54.3740 18.8321 177.8221 101 C 4.5499 8.8199 112.2621 61.2587 30.1135 174.2484 102 H 4.6329 8.0050 116.3524 54.8069 29.2667 174.4807 103 V 4.5654 8.2022 124.3400 60.4305 34.4028 173.4715 104 P 5.1035 0.0000 0.0000 61.6435 33.3887 174.5612 105 Q 4.7547 8.3696 116.6593 54.6179 33.4567 174.4144 106 T 4.8228 8.3250 110.7947 59.8317 72.2612 173.2996 107 N 4.7478 8.5437 120.4750 52.5687 38.4219 173.9016 108 A 4.6232 8.1126 127.5378 50.2583 22.3182 175.2865 109 Q 4.2968 8.7778 122.0373 54.0599 29.8330 174.3324 110 P 4.2808 0.0000 0.0000 62.9772 31.7522 177.2887 111 L 4.2845 8.4973 122.1162 56.5026 41.9157 177.2497 112 V 4.3548 6.9771 115.2896 61.7155 34.8197 172.9914 113 T 4.0790 8.4587 116.9444 61.4854 69.8097 173.1236 114 N 4.9225 8.5563 121.6312 52.1715 40.2735 174.3874 115 E 4.7711 8.6588 126.6854 56.7641 30.2840 176.4836 116 F 4.4890 8.3330 121.5610 58.5351 40.4618 174.1591 117 R 4.7517 7.7785 124.0949 54.2182 32.5165 175.4265 118 D 4.3273 8.2698 121.4112 54.2203 42.1331 177.2163 119 M 4.0133 8.8658 124.3245 58.1726 32.2350 176.9258 120 L 4.4010 7.6670 117.1354 54.5776 43.2902 176.4436 121 T 3.2848 8.3729 112.4548 61.7901 66.6852 171.9769 122 L 4.4660 7.6066 129.1907 54.7644 42.3199 177.2949 123 M 4.4556 10.6600 118.6235 53.4319 34.5789 174.1097 124 P 4.7065 0.0000 0.0000 62.9865 31.9619 175.9597 125 A 4.2239 8.4876 126.8872 52.6582 19.0791 177.2636 126 S 4.5095 8.4961 115.2983 57.2463 65.8195 172.8083 127 N 4.5157 9.0823 124.3748 55.2893 39.8792 175.4051 *128 E 4.1515 7.9945 116.5473 56.0903 30.5139 177.2865 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 D 8.36 4.56 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 3 A 7.82 4.62 1.24 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 4 P 0.00 3.98 0.00 2.23 2.26 0.00 3.72 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 2.08 2.05 0.00 5 R 7.56 3.53 0.00 1.90 2.04 0.00 3.30 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 6 L 8.62 4.29 0.00 1.63 1.73 0.92 1.01 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 7 T 7.85 4.25 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 8 G 7.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.66 3.50 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 10 D 9.21 4.18 0.00 2.65 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 11 R 8.65 3.50 0.00 1.93 1.99 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 12 P 0.00 3.86 0.00 2.23 2.16 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 13 M 8.79 3.23 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 14 S 7.79 4.07 0.00 3.99 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 15 E 7.36 4.44 0.00 2.05 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 2.08 2.04 0.00 16 V 7.93 4.41 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.47 4.29 1.24 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 18 A 8.32 4.49 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 19 P 0.00 4.41 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 P 0.00 4.46 0.00 2.17 2.04 0.00 3.81 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 1.98 1.98 0.00 21 L 8.39 3.81 0.00 1.65 1.69 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.60 0.00 2.03 2.10 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 23 E 8.29 4.62 0.00 2.03 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 2.29 2.32 0.00 24 T 8.52 4.31 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 1.19 0.00 0.00 25 I 8.53 4.26 1.93 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 1.22 0.68 0.91 0.00 0.00 26 T 8.55 4.21 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 27 D 7.91 4.41 0.00 2.82 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 28 D 8.57 4.89 0.00 2.70 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 29 R 8.59 4.41 0.00 1.88 1.87 0.00 3.18 0.00 0.00 3.52 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 R 8.50 4.05 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 V 8.39 3.85 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 0.92 0.00 0.00 32 G 8.40 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 33 R 8.12 4.58 0.00 1.64 1.68 0.00 3.18 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 34 N 8.40 4.91 0.00 3.01 3.12 0.00 0.00 6.57 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 35 Y 6.99 4.95 0.00 3.01 2.89 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 36 P 0.00 4.38 0.00 2.27 2.11 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 37 E 8.72 3.63 0.00 2.19 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 0.00 2.28 2.33 0.00 38 Q 7.66 4.14 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 39 P 0.00 4.19 0.00 2.25 2.01 0.00 3.78 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 1.95 1.98 0.00 40 P 0.00 4.27 0.00 2.03 2.02 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 41 V 7.94 4.10 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 0.82 0.00 0.00 0.91 0.00 0.00 42 I 8.58 3.92 1.82 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 1.29 0.97 0.79 0.00 0.00 43 P 0.00 4.55 0.00 2.18 2.23 0.00 3.54 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 1.97 1.94 0.00 44 H 7.31 5.07 0.00 3.21 3.62 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.46 4.46 0.00 3.78 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 46 I 7.85 3.88 1.82 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 1.47 0.61 0.92 0.00 0.00 47 E 8.30 3.14 0.00 1.83 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 2.17 2.18 0.00 48 G 8.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.28 4.50 0.00 2.85 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 50 Q 8.84 4.64 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 51 L 8.62 5.00 0.00 1.61 1.36 0.93 0.52 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 52 S 9.45 4.82 0.00 4.01 4.04 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 0.00 0.00 0.00 53 V 8.66 3.91 2.12 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 0.84 0.00 0.00 1.01 0.00 0.00 54 N 7.55 4.78 0.00 2.95 2.86 0.00 0.00 6.74 7.23 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 55 A 7.82 4.62 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 56 N 8.22 4.81 0.00 2.09 2.49 0.00 0.00 6.94 7.65 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 57 R 8.83 3.85 0.00 1.81 1.71 0.00 3.10 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.80 0.00 58 C 7.90 4.05 0.00 3.03 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 59 L 7.83 4.41 0.00 1.69 1.69 0.91 0.84 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 60 E 7.94 4.12 0.00 1.98 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 2.27 2.35 0.00 61 C 7.87 4.48 0.00 2.75 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 62 H 7.94 4.84 0.00 3.15 3.33 0.00 5.66 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 63 R 7.95 4.80 0.00 1.88 2.03 0.00 3.04 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 64 R 8.78 4.69 0.00 1.90 1.53 0.00 2.93 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 65 Q 8.33 4.64 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 66 Y 8.42 4.47 0.00 3.08 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 0.00 0.00 0.00 0.00 67 S 10.22 3.74 0.00 4.09 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 68 G 8.50 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.00 4.35 0.00 1.58 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.12 4.22 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 71 A 8.13 4.66 1.14 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 0.00 0.00 72 A 8.32 4.17 1.22 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 0.00 0.00 73 P 0.00 4.35 0.00 2.14 1.99 0.00 3.67 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 1.95 1.94 0.00 74 M 8.21 4.76 0.00 1.93 2.35 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 75 I 7.23 4.52 1.87 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.44 0.84 0.00 0.00 76 S 8.29 4.30 0.00 4.02 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 77 I 8.05 3.13 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.79 0.00 0.00 78 T 7.78 4.12 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 79 H 8.51 4.86 0.00 3.55 3.56 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.46 4.79 0.00 3.15 3.23 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 81 Q 7.59 5.40 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 82 D 8.32 4.76 0.00 2.83 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 83 R 8.21 4.00 0.00 1.80 1.91 0.00 3.24 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 1.63 1.70 0.00 84 E 8.85 4.02 0.00 2.10 2.33 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 2.17 2.33 0.00 85 G 8.51 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.79 4.10 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 87 M 8.47 4.70 0.00 2.07 2.04 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 2.66 2.72 0.00 88 L 8.68 4.31 0.00 1.84 1.53 0.98 0.64 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 89 A 8.21 4.36 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 90 D 6.85 3.37 0.00 2.41 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 0.00 0.00 0.00 0.00 91 V 7.26 3.57 2.02 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 1.00 0.00 0.00 1.07 0.00 0.00 92 S 8.49 4.55 0.00 4.04 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 93 P 0.00 4.37 0.00 2.18 2.05 0.00 3.59 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 2.06 2.01 0.00 94 R 7.14 4.39 0.00 2.12 1.97 0.00 3.07 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 95 R 8.97 4.31 0.00 2.21 2.54 0.00 3.27 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 96 Y 7.76 4.12 0.00 2.96 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 97 F 8.24 4.24 0.00 3.30 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 C 8.58 4.28 0.00 3.01 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 99 T 8.17 4.00 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 1.27 0.00 0.00 100 A 7.66 4.21 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 0.00 101 C 8.82 4.55 0.00 2.79 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 0.00 102 H 8.01 4.63 0.00 3.16 3.23 0.00 5.64 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 0.00 103 V 8.20 4.57 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 0.88 0.00 0.00 0.93 0.00 0.00 104 P 0.00 5.10 0.00 2.09 2.04 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 105 Q 8.37 4.75 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 106 T 8.33 4.82 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 1.20 0.00 0.00 107 N 8.54 4.75 0.00 2.77 2.80 0.00 0.00 6.91 7.78 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 0.00 108 A 8.11 4.62 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 0.00 109 Q 8.78 4.30 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 110 P 0.00 4.28 0.00 2.18 2.00 0.00 3.60 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 2.13 2.13 0.00 111 L 8.50 4.28 0.00 1.64 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.98 4.35 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 0.70 0.00 0.00 0.94 0.00 0.00 113 T 8.46 4.08 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 1.22 0.00 0.00 114 N 8.56 4.92 0.00 2.75 2.77 0.00 0.00 7.05 7.65 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 0.00 115 E 8.66 4.77 0.00 2.03 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 2.31 2.32 0.00 116 F 8.33 4.49 0.00 3.26 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.78 4.75 0.00 1.49 1.65 0.00 3.56 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 118 D 8.27 4.33 0.00 2.74 2.44 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 0.00 119 M 8.87 4.01 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.67 0.00 120 L 7.67 4.40 0.00 1.62 1.58 0.99 1.05 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 0.00 121 T 8.37 3.28 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 1.20 0.00 0.00 122 L 7.61 4.47 0.00 1.61 1.68 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 M 10.66 4.46 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 124 P 0.00 4.71 0.00 1.97 2.01 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 125 A 8.49 4.22 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 0.00 126 S 8.50 4.51 0.00 3.94 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 0.00 127 N 9.08 4.52 0.00 2.73 3.07 0.00 0.00 7.00 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 *128 E 7.99 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.