NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3091 8.2649 123.5840 50.9455 19.6311 175.7246 2 P 3.8848 0.0000 0.0000 62.3447 31.4794 171.1654 3 V 4.3866 8.5853 121.6828 60.4004 35.0939 175.7505 4 R 4.7093 8.4057 121.7635 55.4938 31.9927 175.4545 5 S 5.5868 8.6176 117.3127 57.2991 67.5578 173.0396 6 L 4.9347 8.9220 120.4117 54.6337 44.2765 174.7548 7 N 5.5488 8.8593 118.1442 53.0306 40.7230 173.7342 8 C 5.3034 8.8978 116.3387 57.9967 33.8272 172.2502 9 T 5.2646 8.6798 108.7369 59.9554 72.0559 172.8058 10 L 5.4450 8.5965 120.5305 53.2293 45.7056 176.3466 11 R 5.1756 8.9422 120.3251 54.4622 34.6449 174.9685 12 D 4.2626 8.4542 122.7771 52.0838 40.8795 177.3939 13 S 4.1505 8.2047 113.4223 60.5701 62.8055 175.0374 14 Q 4.3223 7.9117 118.8607 55.4322 28.5470 175.2771 15 Q 3.6089 8.1167 115.7486 56.8536 26.9660 173.4753 16 K 4.3685 8.2755 117.3741 55.8827 33.9472 176.7844 17 S 5.1164 9.1111 120.1383 57.4091 65.8430 172.7605 18 L 5.4375 8.4070 120.3027 53.4578 44.2500 176.2693 19 V 4.6566 8.5024 114.9495 59.6414 36.5330 174.7748 20 M 4.3952 8.5384 123.6305 54.9166 31.1961 175.5564 21 S 4.1277 8.2541 124.2892 58.8485 63.3659 177.6479 22 G 4.2277 7.4646 116.1053 43.7562 0.0000 170.9078 23 P 4.1711 0.0000 0.0000 65.1011 31.5765 176.1854 24 Y 4.9383 7.5891 115.5968 57.1575 39.2838 174.3340 25 E 4.8834 8.0978 118.7126 54.6724 33.7936 173.4928 26 L 5.2987 8.6581 124.2887 52.9986 45.3770 175.4541 27 K 5.2580 9.1327 120.5027 54.6183 36.6039 174.8861 28 A 5.5171 8.6558 124.4990 50.3722 21.8688 175.4773 29 L 4.7239 8.5318 120.2305 54.9176 44.5088 173.9667 30 H 4.7819 11.2100 118.0262 55.6477 28.9335 175.2841 31 L 4.8868 8.4048 122.6134 53.2189 45.2853 175.4724 32 Q 4.5653 8.5373 120.4022 56.0772 32.8728 176.4975 33 G 3.8372 8.4195 110.3825 46.8382 0.0000 176.2238 34 Q 4.0012 8.8741 120.7819 59.1730 28.5635 177.7514 35 D 4.4048 8.3121 119.1968 57.6472 40.7126 178.4160 36 M 3.8854 7.7405 118.6707 59.1396 31.8978 178.0293 37 E 3.9578 7.9803 117.2849 59.7938 29.6613 179.2554 38 Q 4.0733 8.4473 117.6585 57.4926 29.1253 177.1555 39 Q 4.8730 7.4673 117.1195 55.5514 29.0217 176.6326 40 V 3.4981 8.1490 120.8029 63.0307 32.4610 174.9385 41 V 4.4098 7.9651 126.6519 61.0343 33.7473 174.4102 42 W 5.0563 9.5848 127.8096 55.1446 32.3371 175.2451 43 S 4.9696 9.2092 117.7177 56.9637 63.8202 172.2115 44 M 4.5763 9.1236 128.9482 54.6848 33.4337 174.8615 45 S 5.2786 8.8781 122.3547 56.9944 66.1125 173.7045 46 F 4.7354 8.9390 123.4121 56.6015 38.5106 176.0763 47 V 4.3095 7.7846 117.8607 60.0571 33.6257 175.5477 48 Q 4.3236 8.8611 120.9066 54.9827 29.5308 177.0368 49 G 3.8169 8.0687 109.2392 45.3628 0.0000 170.9305 50 E 3.9590 8.4458 120.8420 56.2079 29.5897 175.8383 51 E 4.8933 8.4622 126.5807 54.8199 32.4436 173.9647 52 S 4.6140 8.3613 116.4865 56.9658 65.9051 174.8225 53 N 4.4969 8.8530 119.6329 55.0958 37.2061 175.5496 54 D 4.8660 8.0912 115.9202 52.2741 40.0555 174.8999 55 K 4.6875 7.8336 120.2865 55.5048 34.7073 174.1776 56 I 4.8606 8.6903 128.8065 58.4180 39.3941 173.4666 57 P 4.9907 0.0000 0.0000 63.0443 32.6766 175.8763 58 V 4.9696 9.4408 115.9058 59.9398 36.9371 173.6687 59 A 5.4384 8.9138 122.6934 50.3031 22.4623 175.2982 60 L 4.9014 8.9089 120.1495 52.9749 44.8426 175.9355 61 G 3.9763 8.7645 110.4620 43.8287 0.0000 171.4011 62 L 4.2265 8.0102 120.5442 53.5293 42.9498 177.0483 63 K 3.9960 8.2758 124.7479 57.7508 32.4332 177.2006 64 E 3.8588 8.9511 123.6433 56.5116 27.6450 174.1089 65 K 4.5430 7.3995 117.9598 54.3457 35.1818 176.7442 66 N 4.8383 8.3903 121.8065 52.3283 35.7871 174.4016 67 L 5.1961 7.1899 119.1449 53.9268 46.3948 176.8923 68 Y 5.2884 9.0973 120.8452 55.8664 42.2057 174.8515 69 L 4.8729 9.3558 123.3713 54.9910 42.3563 176.4794 70 S 5.1178 10.0170 118.5156 56.6356 66.5092 172.1537 71 C 5.4244 8.4230 120.4489 58.1581 30.3748 174.1507 72 V 4.6711 8.8750 116.2974 59.5118 36.3640 174.4268 73 L 4.5181 8.4249 122.2217 54.1119 42.8104 176.8236 74 K 4.3175 8.7362 124.3931 56.0179 35.0968 175.7165 75 D 4.6797 9.2765 126.7034 55.9383 38.0834 173.0689 76 D 4.3926 8.2962 112.4178 54.7311 38.7489 173.8898 77 K 4.2805 7.5284 118.3427 53.9145 35.9871 173.4071 78 P 3.7102 0.0000 0.0000 63.3235 31.5437 175.7447 79 T 4.7608 9.1090 120.0554 61.7513 73.0703 172.7189 80 L 5.2707 8.6196 126.2952 54.5111 43.7738 175.3395 81 Q 4.7709 8.8612 121.0146 55.4332 32.4366 172.6737 82 L 5.1132 8.6169 120.5406 53.5885 43.2148 175.5835 83 E 4.7860 9.6378 125.0645 54.3851 32.6188 175.0984 84 S 5.2203 8.6490 122.1179 58.0006 63.9212 173.6973 85 V 4.4726 8.0593 115.2102 59.0712 36.0565 174.7422 86 D 4.4068 8.6260 121.8104 53.7844 41.1401 175.2439 87 P 4.5142 0.0000 0.0000 64.6716 31.5135 177.2059 88 K 4.2562 9.0462 118.7688 58.5222 32.5397 177.3178 89 N 4.6278 8.0812 113.4464 53.6026 38.8995 174.4453 90 Y 4.5806 7.6624 115.4782 55.2323 41.4620 173.3902 91 P 4.6808 0.0000 0.0000 61.8858 32.8268 174.9783 92 K 4.6497 7.7379 116.9050 54.5963 35.8062 176.5957 93 K 4.0730 8.5517 118.6489 58.6527 32.1884 176.6053 94 K 4.4844 7.4950 120.2933 54.8328 30.9960 175.0696 95 M 4.3505 7.8521 122.1052 53.9062 33.3410 176.4216 96 E 4.1917 8.7801 120.5597 56.0573 30.7018 177.9539 97 K 3.6821 8.8636 123.4680 59.6764 32.3686 178.9923 98 R 3.6762 7.7309 114.1301 58.2478 29.3438 177.5433 99 F 4.9070 7.9027 115.8393 57.6692 39.7863 175.4862 100 V 4.3424 7.3772 122.7369 61.5096 32.9748 174.6063 101 W 5.2071 9.3318 127.6794 54.8795 32.7743 174.3581 102 N 4.9898 9.5515 122.8535 52.4564 39.3582 174.3367 103 K 4.3301 9.2909 127.6073 55.7489 33.6124 175.3967 104 I 5.3762 8.4584 129.4002 59.0001 39.5652 174.9822 105 E 4.9479 8.8149 127.7674 53.8960 29.4360 176.5410 106 I 4.6296 8.1828 129.1629 59.4464 37.5350 178.2346 107 N 4.3284 9.4978 118.2726 54.7305 37.2847 174.0533 108 N 4.9367 9.1882 110.0765 52.2444 39.0732 174.4702 109 K 4.8020 7.6871 118.4157 55.1007 35.9020 174.4664 110 L 5.2255 8.8911 120.1890 53.2314 45.4323 176.0416 111 E 5.0472 8.7122 119.8958 54.6841 34.2810 175.0131 112 F 5.2344 8.9980 121.2520 55.9481 41.6523 173.3954 113 E 4.7556 8.9791 125.9602 54.3190 31.2816 175.2639 114 S 3.8842 9.0298 122.5770 58.4241 62.4184 174.0401 115 A 3.9592 8.0665 129.3405 55.2192 18.2989 178.9245 116 Q 3.4185 7.7895 115.3714 58.5169 29.2453 176.3493 117 F 4.7037 7.8745 122.3453 54.5816 39.2344 173.1543 118 P 4.4673 0.0000 0.0000 64.1963 31.3577 176.6438 119 N 4.3075 9.4617 118.4962 53.4569 36.7701 173.0502 120 W 4.9535 7.8098 119.0559 55.2137 31.3725 174.7479 121 Y 5.5061 9.6742 123.2754 55.8234 41.2752 175.2567 122 I 4.2509 8.5953 123.9160 62.0528 37.6588 175.6883 123 S 5.1928 9.4954 123.1731 56.8403 67.5324 172.9063 124 T 5.1012 8.5018 110.3074 60.0946 72.2794 173.3783 125 S 4.9334 8.7529 116.4422 57.2600 63.7462 174.2004 126 Q 4.0487 8.6744 123.5303 58.7573 28.7175 177.3981 127 A 4.1571 7.6327 119.3477 52.0885 17.7080 176.4261 128 E 4.2767 8.5680 120.0539 56.5247 30.6493 175.7370 129 N 4.3952 8.1362 120.3961 54.9692 38.3533 173.7507 130 M 4.7165 7.1606 113.6759 52.6565 34.9156 174.4866 131 P 5.0387 0.0000 0.0000 62.7764 32.3762 176.3830 132 V 4.3814 8.5223 123.2490 62.7710 32.5963 174.9803 133 F 5.1199 8.7148 121.0673 55.6271 42.2842 172.3367 134 L 5.0099 8.9697 120.9715 53.8522 42.8196 175.6826 135 G 4.3635 9.6783 114.0318 44.3203 0.0000 173.2543 136 G 2.9327 8.0060 110.5194 44.0089 0.0000 173.0318 137 T 4.5096 7.4719 109.1041 59.2636 70.7562 173.5908 138 K 4.3217 8.2637 123.0691 55.6261 34.5272 176.8111 139 G 3.9986 8.7029 109.1154 46.1515 0.0000 175.4438 140 G 4.0481 7.3193 113.6745 45.7872 0.0000 175.6155 141 Q 4.1673 8.6861 119.8783 57.4682 29.4128 175.7407 142 D 4.8659 7.7658 116.8400 52.9476 42.6147 175.6202 143 I 4.1419 8.1181 123.6561 60.9029 38.2280 176.3130 144 T 4.8299 8.3795 114.7736 61.2048 70.2422 172.9669 145 D 5.2784 7.6750 122.0414 52.8523 43.8749 175.2072 146 W 5.7355 9.3396 121.5536 55.3543 34.5852 173.8863 147 T 5.1840 9.0344 109.9867 60.3459 71.7744 172.8531 148 M 5.2467 8.7106 119.6920 53.6529 34.6174 174.5484 149 Q 4.6936 8.5119 118.9165 54.1442 32.1530 174.8355 150 F 4.9303 9.0937 122.8318 57.2963 40.1921 175.2955 151 V 4.6856 8.3596 115.9597 59.1716 33.9634 177.3475 152 S 3.9474 8.9875 118.9134 59.6503 63.0175 174.5335 153 S 4.1503 8.0762 120.2465 58.7912 63.6290 170.2575 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 1 A 8.26 4.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 3.88 0.00 2.14 1.94 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 V 8.59 4.39 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 0.83 0.00 0.00 1.01 0.00 0.00 4 R 8.41 4.71 0.00 1.88 1.95 0.00 3.06 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 5 S 8.62 5.59 0.00 3.79 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 6 L 8.92 4.93 0.00 1.98 1.94 1.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.86 5.55 0.00 2.75 2.81 0.00 0.00 6.52 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 8 C 8.90 5.30 0.00 2.91 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 9 T 8.68 5.26 4.46 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 1.25 0.00 0.00 10 L 8.60 5.44 0.00 1.43 1.59 -0.25 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.94 5.18 0.00 1.83 1.79 0.00 3.14 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 12 D 8.45 4.26 0.00 1.90 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 13 S 8.20 4.15 0.00 3.90 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 14 Q 7.91 4.32 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 15 Q 8.12 3.61 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 16 K 8.28 4.37 0.00 1.85 1.71 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.83 1.16 7.81 17 S 9.11 5.12 0.00 3.76 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 18 L 8.41 5.44 0.00 1.77 1.71 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.50 4.66 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 0.70 0.00 0.00 1.01 0.00 0.00 20 M 8.54 4.40 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 21 S 8.25 4.13 0.00 3.89 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 22 G 7.46 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.17 0.00 1.46 1.95 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 24 Y 7.59 4.94 0.00 3.00 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 25 E 8.10 4.88 0.00 2.06 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 2.33 2.41 0.00 26 L 8.66 5.30 0.00 1.71 1.62 1.22 0.83 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 27 K 9.13 5.26 0.00 1.69 1.69 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.40 7.81 28 A 8.66 5.52 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 29 L 8.53 4.72 0.00 1.97 1.83 1.00 0.77 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 30 H 11.21 4.78 0.00 3.13 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.40 4.89 0.00 1.58 1.54 0.94 0.96 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 32 Q 8.54 4.57 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 33 G 8.42 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 0.00 0.00 0.00 34 Q 8.87 4.00 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 35 D 8.31 4.40 0.00 2.77 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 36 M 7.74 3.89 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 37 E 7.98 3.96 0.00 1.98 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 2.58 2.51 0.00 38 Q 8.45 4.07 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 39 Q 7.47 4.87 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.27 0.00 40 V 8.15 3.50 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 -0.43 0.00 0.00 0.70 0.00 0.00 41 V 7.97 4.41 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 1.01 0.00 0.00 0.88 0.00 0.00 42 W 9.58 5.06 0.00 3.15 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 S 9.21 4.97 0.00 3.85 3.74 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 44 M 9.12 4.58 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.94 0.00 45 S 8.88 5.28 0.00 3.85 3.79 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 46 F 8.94 4.74 0.00 3.00 3.13 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 0.00 0.00 0.00 47 V 7.78 4.31 2.24 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 0.71 0.00 0.00 0.97 0.00 0.00 48 Q 8.86 4.32 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 49 G 8.07 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 0.00 0.00 0.00 50 E 8.45 3.96 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 51 E 8.46 4.89 0.00 1.97 1.81 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 2.22 2.31 0.00 52 S 8.36 4.61 0.00 3.88 3.68 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 53 N 8.85 4.50 0.00 2.88 2.95 0.00 0.00 5.77 8.06 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 54 D 8.09 4.87 0.00 2.81 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 55 K 7.83 4.69 0.00 1.88 1.70 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.44 7.81 56 I 8.69 4.86 2.02 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 1.37 0.88 1.19 0.00 0.00 57 P 0.00 4.99 0.00 2.15 2.21 0.00 3.73 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 2.26 2.04 0.00 58 V 9.44 4.97 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 0.43 0.00 0.00 1.08 0.00 0.00 59 A 8.91 5.44 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 60 L 8.91 4.90 0.00 1.22 1.00 -0.48 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.76 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 62 L 8.01 4.23 0.00 1.38 1.27 0.42 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.28 4.00 0.00 1.65 1.63 0.00 1.90 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 1.42 1.51 7.81 64 E 8.95 3.86 0.00 2.11 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 2.18 2.29 0.00 65 K 7.40 4.54 0.00 1.54 1.56 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.22 7.81 66 N 8.39 4.84 0.00 2.98 3.03 0.00 0.00 6.00 6.67 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 67 L 7.19 5.20 0.00 1.41 1.53 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.10 5.29 0.00 2.91 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 69 L 9.36 4.87 0.00 1.54 1.68 0.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 S 10.02 5.12 0.00 3.87 3.68 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 71 C 8.42 5.42 0.00 2.76 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 72 V 8.88 4.67 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 0.75 0.00 0.00 1.02 0.00 0.00 73 L 8.42 4.52 0.00 1.49 1.50 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.74 4.32 0.00 1.66 1.54 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 75 D 9.28 4.68 0.00 2.81 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 76 D 8.30 4.39 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.53 4.28 0.00 1.69 1.64 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.07 1.29 7.81 78 P 0.00 3.71 0.00 0.49 0.49 0.00 2.23 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 79 T 9.11 4.76 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 1.26 0.00 0.00 80 L 8.62 5.27 0.00 1.83 1.70 1.19 0.63 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 81 Q 8.86 4.77 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 82 L 8.62 5.11 0.00 1.79 1.88 1.10 0.94 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 83 E 9.64 4.79 0.00 2.08 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 0.00 2.29 2.26 0.00 84 S 8.65 5.22 0.00 3.87 3.85 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 85 V 8.06 4.47 0.95 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 0.25 0.00 0.00 0.59 0.00 0.00 86 D 8.63 4.41 0.00 2.76 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 87 P 0.00 4.51 0.00 2.26 2.20 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 88 K 9.05 4.26 0.00 1.91 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.57 7.81 89 N 8.08 4.63 0.00 2.76 2.62 0.00 0.00 6.82 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 90 Y 7.66 4.58 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 91 P 0.00 4.68 0.00 2.23 2.25 0.00 3.79 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 2.02 2.06 0.00 92 K 7.74 4.65 0.00 1.66 1.52 0.00 1.33 0.00 0.00 1.20 0.00 0.00 2.33 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.73 1.30 7.81 93 K 8.55 4.07 0.00 1.82 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.42 7.81 94 K 7.50 4.48 0.00 1.64 1.66 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.46 7.81 95 M 7.85 4.35 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 96 E 8.78 4.19 0.00 2.40 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 2.56 2.44 0.00 97 K 8.86 3.68 0.00 1.71 1.67 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.28 7.81 98 R 7.73 3.68 0.00 1.88 1.89 0.00 2.63 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 99 F 7.90 4.91 0.00 3.20 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 0.00 100 V 7.38 4.34 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 0.92 0.00 0.00 0.97 0.00 0.00 101 W 9.33 5.21 0.00 3.32 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 0.00 102 N 9.55 4.99 0.00 2.79 2.81 0.00 0.00 6.33 7.11 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 0.00 103 K 9.29 4.33 0.00 1.93 1.86 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 0.91 7.81 104 I 8.46 5.38 1.89 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 1.28 0.43 0.98 0.00 0.00 105 E 8.81 4.95 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 106 I 8.18 4.63 1.85 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 1.23 0.52 0.90 0.00 0.00 107 N 9.50 4.33 0.00 2.67 2.61 0.00 0.00 6.61 7.79 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 0.00 108 N 9.19 4.94 0.00 2.84 2.84 0.00 0.00 5.81 7.13 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 0.00 109 K 7.69 4.80 0.00 1.65 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.34 7.81 110 L 8.89 5.23 0.00 1.47 1.04 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.71 5.05 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 112 F 9.00 5.23 0.00 2.74 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 0.00 113 E 8.98 4.76 0.00 1.85 1.79 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 2.07 1.62 0.00 114 S 9.03 3.88 0.00 3.79 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 0.00 115 A 8.07 3.96 1.12 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 0.00 116 Q 7.79 3.42 0.00 1.46 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.00 117 F 7.87 4.70 0.00 2.97 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 0.00 118 P 0.00 4.47 0.00 2.12 2.04 0.00 3.87 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 2.05 2.10 0.00 119 N 9.46 4.31 0.00 3.01 3.01 0.00 0.00 6.62 8.36 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 0.00 120 W 7.81 4.95 0.00 3.54 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 9.67 5.51 0.00 2.80 2.96 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 0.00 122 I 8.60 4.25 1.72 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.28 0.54 0.00 0.00 123 S 9.50 5.19 0.00 2.72 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 0.00 124 T 8.50 5.10 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 1.24 0.00 0.00 125 S 8.75 4.93 0.00 3.97 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 0.00 126 Q 8.67 4.05 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 127 A 7.63 4.16 1.26 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 0.00 0.00 0.00 128 E 8.57 4.28 0.00 2.09 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 2.38 2.38 0.00 129 N 8.14 4.40 0.00 2.83 2.84 0.00 0.00 7.08 8.82 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 0.00 130 M 7.16 4.72 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.85 0.00 131 P 0.00 5.04 0.00 2.04 2.21 0.00 3.71 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 2.06 2.13 0.00 132 V 8.52 4.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.13 0.00 0.00 133 F 8.71 5.12 0.00 3.25 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 0.00 134 L 8.97 5.01 0.00 1.90 1.89 1.38 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.68 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 0.00 0.00 0.00 136 G 8.01 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 0.00 0.00 0.00 137 T 7.47 4.51 4.19 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 1.13 0.00 0.00 138 K 8.26 4.32 0.00 1.69 1.59 0.00 1.48 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.10 7.81 139 G 8.70 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 0.00 0.00 0.00 140 G 7.32 4.05 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 0.00 0.00 0.00 141 Q 8.69 4.17 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 142 D 7.77 4.87 0.00 2.77 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 0.00 143 I 8.12 4.14 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.52 0.55 0.00 0.00 144 T 8.38 4.83 4.15 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 1.14 0.00 0.00 145 D 7.67 5.28 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.34 5.74 0.00 3.26 3.25 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 0.00 147 T 9.03 5.18 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 148 M 8.71 5.25 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.34 0.00 149 Q 8.51 4.69 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 F 9.09 4.93 0.00 2.95 3.06 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 0.00 151 V 8.36 4.69 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 0.82 0.00 0.00 1.03 0.00 0.00 152 S 8.99 3.95 0.00 3.99 4.08 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 0.00 153 S 8.08 4.15 0.00 4.10 3.93 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