NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2458 8.3193 116.7767 57.5100 65.2960 173.8243 5 V 4.0025 7.1357 129.5544 59.4772 32.5061 169.5830 6 V 3.9207 8.9793 126.1567 62.3999 33.3226 176.5201 7 K 4.6762 8.1244 122.5870 54.3834 35.2663 177.2411 8 S 4.1704 9.0622 120.3958 61.9248 62.7725 176.6600 9 E 4.2254 8.2098 114.7769 58.3383 29.4223 176.6364 10 D 4.6957 8.4137 120.7662 54.4287 40.8560 177.7796 11 Y 4.1043 7.4635 120.0319 59.8698 37.7165 177.2462 12 A 4.3153 7.0147 120.3604 52.4192 19.2830 176.7518 13 L 4.6140 7.4681 116.0702 51.9785 43.5194 174.8741 14 P 4.4033 0.0000 0.0000 62.8934 31.8277 176.1630 15 S 4.8830 8.3202 115.4316 56.4597 65.8034 172.8540 16 Y 4.4384 8.3834 122.5229 56.9473 39.6521 175.1231 17 V 4.2293 6.5908 123.2752 60.5400 34.0449 173.1221 18 D 4.6969 8.4214 123.1012 52.8130 41.6763 176.0806 19 R 4.4857 8.0100 120.0092 54.5397 32.2110 176.2068 20 R 3.6605 8.5938 121.4024 59.0293 30.1556 176.8668 21 D 4.8548 7.9679 114.5004 53.2047 40.1571 176.7685 22 Y 4.8607 7.9767 119.7329 55.9989 39.4723 172.4226 23 P 4.3830 0.0000 0.0000 65.1515 31.8677 177.1492 24 L 4.5955 7.2845 119.2274 51.6913 40.9441 174.1329 25 P 4.5499 0.0000 0.0000 62.4253 31.8732 176.7293 26 D 4.6116 8.6344 118.3492 56.1873 41.1329 177.0504 27 V 4.4933 7.4157 117.0227 60.5857 34.7747 174.4610 28 A 4.2762 8.3878 128.0346 51.9829 19.0728 177.2738 29 H 3.6118 8.5942 121.6939 58.1632 29.9748 175.9565 30 V 4.1196 7.3935 118.9938 60.9932 32.4160 175.0815 31 K 4.1127 8.5789 127.0583 57.2334 32.7609 176.3325 32 N 4.7285 7.8390 115.7039 51.3834 38.6649 174.1559 33 L 4.5044 8.1559 123.6181 53.9419 43.0349 177.8684 34 S 4.5832 8.3626 117.0842 56.7426 66.1700 175.1557 35 A 3.9633 8.4238 122.7732 55.6366 17.9484 179.8131 36 S 4.0949 8.0505 111.9447 61.7918 62.9309 176.5957 37 Q 3.9780 7.8831 121.6840 58.6404 28.4069 178.6114 38 K 3.9960 8.5475 119.7508 59.3226 31.9918 179.3120 39 A 4.0015 7.9357 121.2077 54.9103 18.4344 179.3992 40 L 3.9082 7.9787 118.9220 58.3515 41.9803 179.4149 41 K 4.0281 8.4956 117.4684 59.2099 32.2295 178.5603 42 E 4.1489 7.9421 119.6821 58.9847 29.6196 178.8059 43 K 4.0792 8.2373 118.6152 59.2237 31.8331 178.8101 44 E 4.2518 8.0266 118.6302 58.8636 29.5898 178.4171 45 K 4.2466 7.9151 116.8011 58.4255 32.5516 176.5746 46 A 4.4901 7.7397 121.9454 50.3511 21.3056 176.3604 47 S 4.0137 8.2724 111.3643 58.3475 62.8729 175.5628 48 W 4.7732 8.3393 126.0949 58.7947 29.2374 178.4664 49 S 4.2618 7.8079 114.4941 61.2082 62.3649 175.6617 50 S 4.4026 7.8474 114.8941 60.0776 63.0223 174.7706 51 L 4.4393 7.4120 120.9527 54.3298 42.1039 177.5501 52 S 4.5674 9.2436 118.1222 57.6074 65.5680 175.5028 53 I 3.6643 8.2691 123.3681 64.9577 36.8456 178.3808 54 D 4.4579 8.0829 118.9962 57.3905 40.5862 178.5718 55 E 4.0409 8.0935 119.0494 59.0798 29.3888 179.5085 56 K 3.9074 8.2444 118.9087 59.4163 32.0663 179.5358 57 V 3.5959 8.1768 118.9545 66.0292 31.2181 177.6508 58 E 3.9359 8.0417 117.9609 59.0854 29.8513 178.1778 59 L 4.0471 8.1510 120.5907 58.1937 42.1638 178.3377 60 Y 4.0551 8.2114 119.4420 60.8463 38.6932 177.9128 61 R 4.4548 8.1748 117.2133 57.1595 30.3521 178.0752 62 L 4.1818 7.5357 119.5650 56.9040 42.0773 178.7522 63 K 3.5897 7.4987 118.9312 57.3825 32.4784 176.3591 64 F 5.2404 7.0574 116.5686 55.3846 42.1408 176.0578 65 K 3.7275 9.2692 125.1472 58.6346 32.2962 176.9442 66 E 5.5975 8.4764 116.2391 52.9703 32.8617 176.6605 67 S 5.3500 8.5913 118.0377 57.1792 65.7459 175.3168 68 F 3.9292 9.0903 120.5075 60.7582 38.3864 177.7526 69 A 4.0794 8.1113 118.9472 55.2487 18.6421 179.0311 70 E 4.1479 8.1499 116.9168 59.3589 29.3954 179.0883 71 M 4.2901 8.3014 116.6583 57.3683 31.4903 177.2580 72 N 4.7810 7.8269 116.0716 52.0000 39.4591 174.9953 73 R 4.0341 7.0568 120.1686 56.5165 30.7464 176.0390 74 S 4.7085 8.4942 120.6762 57.3876 64.3617 173.8699 75 T 4.5720 8.2654 114.0315 60.5303 71.1782 173.5813 76 N 4.8837 8.3079 115.8522 53.3271 39.0567 177.0089 77 E 3.9214 8.0539 123.0917 59.2077 29.5319 178.6624 78 W 4.4071 8.4068 116.2256 59.5981 27.8158 178.3629 79 K 2.9264 6.6595 118.7124 59.3097 31.2967 179.4106 80 T 3.7584 7.5279 115.4538 66.3857 68.3798 176.8511 81 V 3.5952 7.7493 120.1627 66.0918 31.6346 178.3497 82 V 3.8223 8.4439 118.6096 65.8229 31.3077 178.1905 83 G 3.5799 8.4021 105.5200 47.9028 0.0000 175.5277 84 A 4.1117 8.3892 124.0027 54.5577 18.3195 179.5341 85 A 4.1328 8.2885 119.2629 55.8885 18.5546 179.8633 86 M 4.1223 8.3898 117.2711 58.3047 31.8968 178.8325 87 F 3.9849 8.5878 121.1555 61.4421 39.5244 177.3440 88 F 4.0877 8.5935 117.4612 60.4216 38.4370 177.8612 89 I 3.9553 8.2399 119.6603 64.2077 37.2487 178.3594 90 G 3.6162 8.4510 107.2007 47.6532 0.0000 175.5778 91 F 3.9857 8.1603 123.2545 61.1496 39.2924 177.3740 92 T 3.7505 7.7449 115.2616 66.3516 68.1935 176.3721 93 A 4.0244 7.8237 122.1251 54.9350 18.1934 179.6784 94 L 4.0042 7.3621 117.3603 57.7586 41.5165 179.5468 95 L 3.9047 7.4685 119.0132 57.4508 41.3752 179.5868 96 L 3.9949 7.6479 118.5280 57.9450 41.6665 179.1807 97 I 3.6980 8.1534 120.1708 64.2040 37.0467 178.2705 98 W 4.2159 8.5861 129.3345 60.4226 30.5211 177.4624 99 E 3.9188 8.7581 119.5836 59.3857 28.8538 178.6225 100 K 4.0049 8.0792 118.3584 59.8629 32.2460 177.6990 101 H 4.2137 7.7856 117.0846 58.2515 29.9648 175.8393 102 Y 4.3029 7.3813 115.7235 57.4772 39.1951 176.5397 103 V 3.9757 7.2158 118.0741 64.3277 32.8891 175.8100 104 Y 4.6189 7.5600 116.5717 57.8670 38.5016 176.1246 105 G 4.0427 8.4144 114.8348 43.9538 0.0000 171.0036 106 P 4.4560 0.0000 0.0000 61.9920 32.3453 176.0301 107 I 3.9860 7.8391 113.9493 59.2547 38.9044 173.7405 108 P 4.2707 0.0000 0.0000 63.1487 31.9093 177.3336 109 H 4.3145 8.5819 116.4222 57.7837 28.4753 176.6160 110 T 3.0087 6.9908 109.0444 62.0827 68.7401 174.9506 111 F 4.4509 7.7003 120.7291 58.1641 39.9166 176.7123 112 E 4.2798 7.7065 119.0967 55.9146 31.4417 177.3361 113 E 3.9991 8.9173 120.3831 59.9998 29.5679 179.0886 114 E 3.9080 8.3474 118.3738 59.2184 29.6208 178.3573 115 W 3.9348 8.2957 127.3903 60.8125 30.8313 178.3622 116 V 3.7543 8.1250 111.7902 64.1536 30.7535 178.5183 117 A 4.0556 8.0569 120.8173 54.8469 18.2344 179.9060 118 K 3.8043 8.0324 116.9979 59.6142 32.1151 179.2414 119 Q 3.9002 8.4946 120.1686 59.7168 28.8902 178.7442 120 T 4.0577 8.1942 116.7120 66.3040 68.4642 176.6681 121 K 3.6262 7.6246 121.7607 59.4446 32.2162 178.7987 122 R 3.8527 8.2458 119.3769 59.6767 29.9509 178.2971 123 M 4.0379 8.3874 118.7790 58.5673 31.8006 178.8439 124 L 4.1415 8.4036 119.2390 57.7374 41.3879 179.3944 125 D 4.4111 8.3206 119.1160 57.1026 40.8771 177.6572 126 M 4.2968 8.1892 114.8601 54.3732 32.0016 176.0525 127 K 3.8826 7.7544 117.6225 57.3392 30.3440 176.4131 128 V 3.4419 8.0085 118.5278 64.1899 32.3500 174.5416 129 A 4.2028 8.6808 130.1493 52.8767 15.2450 175.0887 130 P 4.6642 0.0000 0.0000 63.4990 32.7445 178.4885 131 I 4.2188 7.7717 119.1710 63.4240 37.9325 175.9676 132 Q 4.6500 7.9706 114.4520 57.3695 35.1197 176.3340 133 G 3.7510 8.4143 105.5797 48.1077 0.0000 172.6808 134 F 4.8336 7.8346 120.1705 59.1054 42.4753 176.9538 135 S 4.1873 9.1619 117.2553 61.2700 63.1346 176.3597 136 A 4.3301 8.1781 121.2544 53.7770 18.5103 177.6113 137 K 4.6690 8.4191 115.3177 55.5663 33.4777 175.3877 138 W 4.9374 8.0198 130.3154 55.5284 33.3374 174.8406 139 D 4.3349 7.9447 127.3378 52.8152 40.3672 176.4341 140 Y 4.3080 8.2829 124.6715 60.9034 38.4244 178.0929 141 D 4.4663 7.9354 118.6066 56.9471 40.9766 177.4178 142 K 4.1691 7.9516 114.5165 55.3391 32.7109 175.9752 143 N 3.9412 7.4631 115.8606 53.3776 36.7883 173.3758 144 E 4.0479 5.9000 113.1102 53.9783 33.7100 175.6066 145 W 4.6500 8.2619 121.0152 56.5237 29.8557 176.3832 146 K 4.0711 8.9001 124.4086 56.7937 32.3592 177.4550 147 K 4.0369 8.2911 122.0209 57.2800 32.9844 175.1834 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 S 8.32 4.25 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 5 V 7.14 4.00 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 0.63 0.00 0.00 0.93 0.00 0.00 6 V 8.98 3.92 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 0.85 0.00 0.00 0.98 0.00 0.00 7 K 8.12 4.68 0.00 1.92 1.64 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 8 S 9.06 4.17 0.00 3.92 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 9 E 8.21 4.23 0.00 2.06 2.13 0.00 0.00 0.00 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 2.33 0.00 10 D 8.41 4.70 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.46 4.10 0.00 3.02 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.01 4.32 1.04 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 13 L 7.47 4.61 0.00 1.74 1.58 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.40 0.00 2.07 2.02 0.00 3.62 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 2.04 2.10 0.00 15 S 8.32 4.88 0.00 3.98 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 16 Y 8.38 4.44 0.00 3.02 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 17 V 6.59 4.23 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 0.60 0.00 0.00 0.85 0.00 0.00 18 D 8.42 4.70 0.00 2.69 2.60 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 19 R 8.01 4.49 0.00 1.88 1.91 0.00 2.90 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 20 R 8.59 3.66 0.00 1.82 2.16 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 21 D 7.97 4.85 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.98 4.86 0.00 2.79 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 23 P 0.00 4.38 0.00 2.28 2.48 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 24 L 7.28 4.60 0.00 1.52 1.69 0.94 1.15 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 25 P 0.00 4.55 0.00 2.19 1.71 0.00 3.99 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 26 D 8.63 4.61 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.42 4.49 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 0.92 0.00 0.00 0.97 0.00 0.00 28 A 8.39 4.28 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 29 H 8.59 3.61 0.00 2.28 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.39 4.12 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 0.78 0.00 0.00 0.69 0.00 0.00 31 K 8.58 4.11 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.35 7.81 32 N 7.84 4.73 0.00 2.65 2.74 0.00 0.00 6.91 7.85 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 33 L 8.16 4.50 0.00 1.61 1.56 0.89 0.89 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 34 S 8.36 4.58 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.42 3.96 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 36 S 8.05 4.09 0.00 4.05 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 37 Q 7.88 3.98 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.55 4.00 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.53 7.81 39 A 7.94 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.98 3.91 0.00 1.91 1.74 0.98 0.33 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 41 K 8.50 4.03 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.57 7.81 42 E 7.94 4.15 0.00 2.25 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 2.31 2.40 0.00 43 K 8.24 4.08 0.00 2.06 1.90 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.31 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.62 7.81 44 E 8.03 4.25 0.00 2.17 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 0.00 2.57 2.42 0.00 45 K 7.92 4.25 0.00 1.96 1.88 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.67 7.81 46 A 7.74 4.49 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 47 S 8.27 4.01 0.00 3.79 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 48 W 8.34 4.77 0.00 3.50 3.14 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 S 7.81 4.26 0.00 3.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.85 4.40 0.00 4.08 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 51 L 7.41 4.44 0.00 1.77 1.63 0.98 0.91 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 52 S 9.24 4.57 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 53 I 8.27 3.66 1.87 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 1.64 0.58 0.90 0.00 0.00 54 D 8.08 4.46 0.00 2.69 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 55 E 8.09 4.04 0.00 2.28 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 2.34 2.36 0.00 56 K 8.24 3.91 0.00 1.96 1.82 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.53 7.81 57 V 8.18 3.60 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 1.12 0.00 0.00 0.91 0.00 0.00 58 E 8.04 3.94 0.00 2.15 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 0.00 2.32 2.32 0.00 59 L 8.15 4.05 0.00 2.08 1.65 0.89 0.73 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 60 Y 8.21 4.06 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 61 R 8.17 4.45 0.00 1.86 2.03 0.00 3.46 0.00 0.00 3.37 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.77 0.00 62 L 7.54 4.18 0.00 1.99 1.57 0.90 0.48 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 63 K 7.50 3.59 0.00 1.40 0.86 0.00 1.25 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.33 0.54 7.81 64 F 7.06 5.24 0.00 2.56 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 65 K 9.27 3.73 0.00 1.21 2.14 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.94 1.33 7.81 66 E 8.48 5.60 0.00 2.14 1.85 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 2.38 2.21 0.00 67 S 8.59 5.35 0.00 4.12 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 68 F 9.09 3.93 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.11 4.08 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 70 E 8.15 4.15 0.00 2.31 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 2.36 2.36 0.00 71 M 8.30 4.29 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 72 N 7.83 4.78 0.00 2.75 2.88 0.00 0.00 6.94 7.27 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 73 R 7.06 4.03 0.00 1.93 1.92 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 74 S 8.49 4.71 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 75 T 8.27 4.57 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 1.24 0.00 0.00 76 N 8.31 4.88 0.00 2.70 2.67 0.00 0.00 6.42 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 77 E 8.05 3.92 0.00 2.01 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 2.35 2.34 0.00 78 W 8.41 4.41 0.00 3.71 3.40 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 79 K 6.66 2.93 0.00 1.44 1.34 0.00 1.31 0.00 0.00 1.27 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.53 3.76 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 1.18 0.00 0.00 81 V 7.75 3.60 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 1.07 0.00 0.00 1.01 0.00 0.00 82 V 8.44 3.82 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 1.11 0.00 0.00 1.31 0.00 0.00 83 G 8.40 3.58 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 0.00 0.00 0.00 84 A 8.39 4.11 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.29 4.13 1.53 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 0.00 0.00 86 M 8.39 4.12 0.00 2.14 2.34 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 2.87 2.61 0.00 87 F 8.59 3.98 0.00 3.11 3.14 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 88 F 8.59 4.09 0.00 3.33 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 89 I 8.24 3.96 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.94 0.00 0.00 90 G 8.45 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.16 3.99 0.00 2.61 3.04 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 92 T 7.74 3.75 4.47 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 0.00 0.00 0.00 1.21 0.00 0.00 93 A 7.82 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.36 4.00 0.00 1.41 1.55 0.81 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.47 3.90 0.00 1.74 1.62 0.88 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.65 3.99 0.00 1.86 1.73 0.93 0.86 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 I 8.15 3.70 2.03 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 1.40 1.46 0.92 0.00 0.00 98 W 8.59 4.22 0.00 3.44 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 99 E 8.76 3.92 0.00 2.32 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 1.67 2.20 0.00 100 K 8.08 4.00 0.00 1.83 2.01 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.52 7.81 101 H 7.79 4.21 0.00 3.03 2.93 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.38 4.30 0.00 1.56 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 0.00 0.00 0.00 103 V 7.22 3.98 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 0.69 0.00 0.00 0.79 0.00 0.00 104 Y 7.56 4.62 0.00 3.11 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 0.00 105 G 8.41 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 0.00 106 P 0.00 4.46 0.00 2.16 2.02 0.00 3.74 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 1.92 0.00 107 I 7.84 3.99 1.50 0.00 0.00 0.48 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 0.56 0.60 0.00 0.00 108 P 0.00 4.27 0.00 2.33 1.93 0.00 3.69 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 2.23 2.10 0.00 109 H 8.58 4.31 0.00 3.27 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.99 3.01 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 111 F 7.70 4.45 0.00 3.16 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 0.00 112 E 7.71 4.28 0.00 2.36 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 0.00 2.65 2.52 0.00 113 E 8.92 4.00 0.00 2.09 2.13 0.00 0.00 0.00 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 2.45 0.00 114 E 8.35 3.91 0.00 2.14 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 2.44 2.46 0.00 115 W 8.30 3.93 0.00 3.58 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 0.00 116 V 8.12 3.75 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 0.87 0.00 0.00 1.07 0.00 0.00 117 A 8.06 4.06 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 0.00 118 K 8.03 3.80 0.00 1.55 1.58 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.30 7.81 119 Q 8.49 3.90 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 120 T 8.19 4.06 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 121 K 7.62 3.63 0.00 1.84 1.78 0.00 1.73 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.50 7.81 122 R 8.25 3.85 0.00 1.78 1.97 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 123 M 8.39 4.04 0.00 1.98 2.37 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.47 0.00 124 L 8.40 4.14 0.00 1.42 1.27 -0.93 0.49 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 0.00 125 D 8.32 4.41 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 M 8.19 4.30 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.91 0.00 127 K 7.75 3.88 0.00 1.90 1.98 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.45 7.81 128 V 8.01 3.44 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 0.81 0.00 0.00 0.93 0.00 0.00 129 A 8.68 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 0.00 130 P 0.00 4.66 0.00 2.28 2.40 0.00 3.83 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 131 I 7.77 4.22 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.95 0.00 0.00 132 Q 7.97 4.65 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.41 3.75 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 0.00 0.00 0.00 134 F 7.83 4.83 0.00 3.10 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 0.00 135 S 9.16 4.19 0.00 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.18 4.33 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.42 4.67 0.00 1.95 1.86 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.41 7.81 138 W 8.02 4.94 0.00 2.98 2.64 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 0.00 139 D 7.94 4.33 0.00 2.37 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 0.00 0.00 0.00 140 Y 8.28 4.31 0.00 3.10 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 0.00 141 D 7.94 4.47 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 7.95 4.17 0.00 1.49 1.66 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.34 7.81 143 N 7.46 3.94 0.00 2.74 2.83 0.00 0.00 6.68 8.92 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 0.00 144 E 5.90 4.05 0.00 1.74 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 145 W 8.26 4.65 0.00 3.18 3.09 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 0.00 146 K 8.90 4.07 0.00 1.75 1.75 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.45 7.81 147 K 8.29 4.04 0.00 1.68 1.63 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.38 7.81