NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.6099 0.0000 0.0000 62.7850 32.7449 174.9843 9 V 4.0906 8.7322 125.6121 60.3246 33.2886 170.8362 10 E 5.3544 8.6760 128.7539 54.3173 32.5506 174.7173 11 V 4.7653 9.1335 126.1670 60.1922 34.6509 174.5211 12 T 5.0965 8.7195 113.9922 60.3275 71.8559 172.8580 13 Y 4.8425 8.6876 122.5047 57.8082 42.6768 174.8701 14 K 3.1761 7.8865 126.6020 57.9469 31.0121 178.1812 15 N 4.3829 8.4514 118.9290 52.4176 36.2981 174.7828 *17 R 4.1123 7.4835 119.5781 56.8609 32.1163 174.6649 18 F 5.5968 9.6322 124.6988 55.6159 43.2732 174.1428 19 L 4.9257 9.0373 123.5237 53.5313 44.5795 175.4612 20 I 4.6586 9.2827 129.9990 60.8059 38.2829 175.0408 21 T 4.7626 8.4028 123.2843 60.6806 70.2025 172.7100 22 H 4.7717 8.7177 118.1371 53.7762 30.8420 174.2424 23 N 3.9664 8.3676 120.3603 52.6109 38.9889 173.3811 24 P 4.2519 0.0000 0.0000 61.9435 32.5462 174.9052 25 T 4.6006 7.4641 107.1852 59.3562 71.0728 174.7484 26 N 4.1354 8.9251 120.1413 56.5464 38.5712 176.0672 27 A 4.1390 7.3739 121.3993 55.1090 19.1717 179.0822 28 T 4.0968 8.1344 101.5894 62.1758 68.8489 176.4705 29 L 3.9691 7.9426 126.1033 58.3441 41.9743 178.7495 30 N 4.3721 8.0453 116.4138 56.2921 38.6583 177.3895 31 K 4.0528 8.0202 119.4216 59.0879 32.1810 179.0344 32 F 4.1445 8.0954 120.6647 61.5849 39.3887 177.3684 33 I 3.6765 7.8956 119.3208 64.0120 36.7995 178.1626 34 E 3.8630 8.0577 120.3272 59.3092 29.6185 178.7075 35 E 3.9222 8.2453 118.5975 59.3675 29.5763 179.1026 36 L 3.9716 7.6880 118.9211 58.0861 41.7813 179.8472 37 K 3.9853 7.9475 117.9605 59.5296 31.7275 179.5631 38 K 4.0257 7.6462 117.3162 58.9472 32.0150 178.0466 39 Y 4.4602 7.6850 114.6454 57.3826 38.3839 176.0445 40 G 3.9436 7.9165 108.5670 46.1616 0.0000 173.7563 41 V 4.8367 8.0875 112.8925 60.7659 32.0994 176.2283 42 T 4.6829 8.4516 112.3507 61.6950 70.5452 173.3141 43 T 5.1057 7.6373 118.3341 62.5548 73.5545 172.4835 44 I 5.0004 8.8834 126.0191 59.5436 41.0546 174.3900 45 V 4.4488 8.9423 127.5251 61.1788 33.6930 174.4126 46 R 4.5870 9.0172 127.7506 54.9269 31.7416 176.9429 47 V 4.5118 8.1048 116.4545 60.7106 32.6873 175.1354 48 C 5.0607 7.4048 118.9836 55.5305 42.4618 172.8725 49 E 3.8958 8.7321 123.3892 57.1987 29.7695 177.3544 50 A 4.2171 8.3819 129.0979 51.6003 18.3568 176.9420 51 T 4.5030 8.2754 111.4241 62.1507 69.7227 173.9933 52 Y 4.8808 6.9106 118.8414 55.1136 41.1387 174.1889 53 D 4.4628 8.7762 121.2276 54.6914 42.0774 176.5576 54 T 4.6631 8.3313 115.2609 61.8708 69.2069 176.4340 55 T 3.8565 7.9642 115.0457 65.3177 68.5687 176.1408 56 L 3.9812 7.8934 122.8878 57.5878 42.3672 178.8337 57 V 3.6497 7.8338 117.7459 66.2388 31.6895 177.7134 58 E 4.3487 8.3566 119.6389 58.8804 29.0188 179.5654 59 K 4.1142 7.6860 117.4750 59.1420 32.1529 178.3258 60 E 4.3913 7.6933 116.0268 56.3128 29.3721 177.3560 61 G 3.7994 7.9088 107.1470 45.5453 0.0000 173.5747 62 I 4.4941 7.5071 120.7807 59.3101 38.9129 174.5486 63 H 5.1544 8.7171 128.1270 55.5121 31.0175 174.0025 64 V 4.6819 8.8734 125.9912 61.0438 33.4663 174.5379 65 L 4.4439 8.7438 127.9081 52.8899 44.4171 175.1762 66 D 4.9999 8.6291 123.9753 52.5229 41.7589 176.5499 67 W 5.2302 8.6627 125.5722 54.2852 28.9981 173.1265 68 P 4.7634 0.0000 0.0000 62.3488 32.1229 176.7564 69 F 4.9857 8.0704 118.5486 54.8741 40.6289 174.2467 70 D 4.3972 9.2420 122.2896 54.4406 41.5234 176.6040 71 D 4.4684 8.6551 122.9967 54.6699 39.9705 177.4475 72 G 4.1629 9.1359 110.4757 45.5784 0.0000 173.3852 73 A 4.4698 7.5373 122.0067 49.8489 20.0676 175.4550 74 P 3.2230 0.0000 0.0000 61.1796 31.9921 174.8314 75 P 3.9214 0.0000 0.0000 61.8273 31.9706 177.3798 76 S 4.2266 8.3201 116.8323 58.6190 64.6777 175.3233 77 N 4.3395 8.5909 119.6997 56.5026 38.1434 177.4832 78 Q 3.8752 7.9129 120.6808 58.9618 29.1743 178.0624 79 I 3.2987 7.3653 121.0611 64.1408 37.0742 178.4525 80 V 3.7109 7.6330 119.0390 66.2107 31.3691 177.8116 81 D 4.3784 8.3536 118.7342 57.5877 40.6751 178.5160 82 D 4.3193 8.2249 119.6874 56.8620 40.5556 178.7585 83 W 4.7706 8.5912 129.2917 60.8696 30.8074 178.1468 84 L 3.8649 8.3825 119.1035 57.7580 41.0156 179.5588 85 S 4.0961 8.2382 113.2954 61.1698 62.3147 175.9627 86 L 3.9755 8.0697 123.2316 57.9907 41.3466 179.1628 87 V 3.2760 7.6618 118.4443 65.6205 31.3041 177.6987 88 K 3.8498 8.2537 119.7625 59.6544 32.0137 178.5543 89 I 3.5949 7.7402 118.5047 63.9659 37.8973 177.9400 90 K 3.7820 7.8656 119.3022 59.5755 31.6859 179.3525 91 F 4.4518 7.1828 115.0301 59.5497 38.8272 177.5615 92 R 4.2728 7.2668 116.9614 58.8489 30.5451 178.3795 93 E 4.2495 8.4306 116.7313 57.6289 31.0465 177.1570 94 E 4.6448 8.2389 118.4915 52.7673 29.8484 172.3301 95 P 4.3273 0.0000 0.0000 64.3913 32.1587 177.0193 96 G 3.8903 9.0633 110.4642 45.9030 0.0000 173.0241 97 C 4.5751 7.8262 115.1302 57.2958 31.4071 171.9744 98 C 5.2510 8.5238 117.8380 57.9669 35.1536 172.5987 99 I 4.9383 8.6422 124.9911 59.6081 39.4815 174.4907 100 A 5.3284 9.0544 129.0656 50.6712 21.5557 175.9269 101 V 5.0901 8.7881 119.8961 61.7054 35.5263 173.9302 102 H 5.1716 8.8222 120.6865 53.8756 32.3749 174.6876 103 C 4.9034 8.8271 117.6903 56.6918 42.7886 175.5211 104 V 4.0800 8.6024 112.6469 62.0468 32.7032 175.1735 105 A 4.2550 7.7707 122.5914 51.9029 19.4412 176.0235 106 G 4.0140 8.6830 106.3486 45.2069 0.0000 171.5607 107 L 3.9250 8.5470 118.1980 57.4359 42.6055 179.2630 108 G 3.6805 7.4521 104.8785 47.0792 0.0000 174.2575 109 R 4.4467 8.3851 121.4713 55.5768 29.6642 177.5714 110 A 3.9260 7.7225 122.3170 55.1741 18.5120 178.3239 111 P 4.1927 0.0000 0.0000 64.8850 31.2714 178.8185 112 V 3.8446 7.5289 117.5873 66.3139 31.4759 178.0591 113 L 3.5918 7.6850 117.9545 57.3591 41.2525 179.5091 114 V 3.2521 7.5081 117.5621 65.8184 31.4961 177.6506 115 A 4.0728 8.2322 120.4976 55.3497 18.3649 179.4802 116 L 3.7902 8.0251 117.1293 57.9504 41.4247 179.7188 117 A 4.3186 8.1631 119.7657 55.3012 18.8086 179.4030 118 L 4.2161 8.1115 117.5909 58.0276 41.6531 179.8162 119 I 3.8402 8.1348 119.9525 64.2788 36.7909 178.0850 120 E 4.3267 8.1880 119.3261 58.8277 29.5997 178.2029 121 G 3.7762 7.8282 103.1234 44.2583 0.0000 173.6764 122 G 4.2287 7.6194 110.8726 46.2864 0.0000 174.0639 *124 K 4.1780 7.6570 119.5966 56.1187 35.1527 176.0913 125 Y 4.1745 8.5819 119.5019 60.6013 37.5976 178.6721 126 E 3.3064 6.9929 119.5801 58.9590 29.5041 178.8823 127 D 4.2208 7.7738 118.1720 57.2773 40.9803 178.4751 128 A 3.9791 7.8488 121.2976 55.0337 18.2661 179.8920 129 V 3.2644 7.8623 116.9359 66.1694 31.5566 178.3282 130 Q 3.9742 8.1712 117.8966 58.9555 28.3330 178.4520 131 F 4.0548 8.4912 120.9768 61.4312 39.5712 176.9309 132 I 4.0280 8.0411 119.3602 64.3246 36.7552 178.5608 133 R 4.2342 8.4245 119.1398 59.2295 29.6122 178.7383 134 Q 4.0921 8.0853 118.8272 58.7178 28.9560 177.9116 135 K 4.5151 7.1867 118.4405 56.6426 33.3238 176.4465 136 R 4.3933 8.2351 119.7278 53.9920 31.2769 174.9815 137 R 3.9605 8.9489 122.4267 59.3461 29.0711 178.1040 138 G 3.8127 7.9853 103.4408 45.0213 0.0000 173.3919 139 A 3.7303 7.7126 123.4933 52.9533 18.8549 174.1081 140 F 4.7452 8.3750 127.1160 57.3198 39.3273 175.1867 141 N 4.9707 8.5368 122.1539 50.7872 41.0055 175.9314 142 S 4.0740 8.4505 114.7995 61.7041 62.6478 176.2372 143 K 3.8614 8.1086 123.0154 59.3096 31.8947 178.5312 144 Q 2.7865 8.8715 118.4384 58.4998 28.6171 178.6588 145 L 3.8584 7.8079 120.0661 57.5895 41.3696 179.5611 146 L 3.9397 7.6583 118.5035 57.7237 41.7729 178.6401 147 Y 4.3792 7.4878 116.6417 59.0837 38.2376 177.6628 148 L 4.0858 7.5630 121.3435 57.4213 41.4016 178.7328 149 E 2.8244 7.2916 118.1775 57.8177 29.5555 177.8888 150 K 4.4004 7.1965 115.6794 54.9934 32.9454 175.8635 151 Y 4.0449 7.2239 121.8018 57.5226 39.0837 175.3110 152 R 4.1821 7.6150 126.7086 53.3598 30.5526 174.2009 153 P 4.2672 0.0000 0.0000 62.1984 33.6430 175.9116 154 K 3.7328 8.7025 122.2828 58.5270 29.9979 178.5589 *156 R 4.3209 9.0361 128.1356 56.2130 32.7348 175.8759 157 L 4.0259 7.9128 118.3168 54.5150 42.2257 176.4126 158 R 4.6088 7.8926 121.5389 54.5270 32.4119 176.3050 159 F 4.3771 8.3796 118.1449 57.8670 39.9936 174.8114 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 8 P 0.00 4.61 0.00 1.97 2.15 0.00 3.76 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 1.94 2.05 0.00 9 V 8.73 4.09 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 0.87 0.00 0.00 0.91 0.00 0.00 10 E 8.68 5.35 0.00 1.91 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 2.23 2.44 0.00 11 V 9.13 4.77 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 1.07 0.00 0.00 1.34 0.00 0.00 12 T 8.72 5.10 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 1.27 0.00 0.00 13 Y 8.69 4.84 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 14 K 7.89 3.18 0.00 1.57 1.13 0.00 1.15 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 15 N 8.45 4.38 0.00 2.83 2.88 0.00 0.00 5.77 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 *17 R 7.48 4.11 0.00 1.81 2.00 0.00 3.38 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 18 F 9.63 5.60 0.00 3.19 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 19 L 9.04 4.93 0.00 1.61 1.48 0.25 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 20 I 9.28 4.66 1.86 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 1.14 0.64 0.85 0.00 0.00 21 T 8.40 4.76 4.32 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 1.53 0.00 0.00 22 H 8.72 4.77 0.00 3.11 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.37 3.97 0.00 2.78 2.79 0.00 0.00 7.04 7.69 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 24 P 0.00 4.25 0.00 1.33 0.49 0.00 3.13 0.00 0.00 2.78 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 25 T 7.46 4.60 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 1.14 0.00 0.00 26 N 8.93 4.14 0.00 2.74 2.97 0.00 0.00 6.94 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 27 A 7.37 4.14 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 28 T 8.13 4.10 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 1.18 0.00 0.00 29 L 7.94 3.97 0.00 1.90 1.74 0.57 0.59 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 30 N 8.05 4.37 0.00 2.79 2.86 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.02 4.05 0.00 1.84 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 32 F 8.10 4.14 0.00 3.17 3.21 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 0.00 0.00 0.00 0.00 33 I 7.90 3.68 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.93 0.00 0.00 34 E 8.06 3.86 0.00 2.13 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 0.00 2.28 2.33 0.00 35 E 8.25 3.92 0.00 2.11 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 2.35 2.56 0.00 36 L 7.69 3.97 0.00 1.70 1.64 0.57 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.95 3.99 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 38 K 7.65 4.03 0.00 1.71 1.63 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.56 7.81 39 Y 7.68 4.46 0.00 3.14 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 40 G 7.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.09 4.84 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 0.78 0.00 0.00 0.92 0.00 0.00 42 T 8.45 4.68 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 1.23 0.00 0.00 43 T 7.64 5.11 4.21 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 0.00 0.00 0.00 1.15 0.00 0.00 44 I 8.88 5.00 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 1.05 0.00 0.00 45 V 8.94 4.45 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 0.89 0.00 0.00 0.93 0.00 0.00 46 R 9.02 4.59 0.00 1.73 1.69 0.00 2.98 0.00 0.00 2.98 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 47 V 8.10 4.51 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 1.27 0.00 0.00 0.69 0.00 0.00 48 C 7.40 5.06 0.00 2.71 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 49 E 8.73 3.90 0.00 1.88 1.82 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 2.25 2.28 0.00 50 A 8.38 4.22 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 51 T 8.28 4.50 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 1.25 0.00 0.00 52 Y 6.91 4.88 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.78 4.46 0.00 2.67 2.67 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 54 T 8.33 4.66 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 1.07 0.00 0.00 55 T 7.96 3.86 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 1.35 0.00 0.00 56 L 7.89 3.98 0.00 1.82 1.76 0.95 0.97 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 57 V 7.83 3.65 2.35 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 1.17 0.00 0.00 1.13 0.00 0.00 58 E 8.36 4.35 0.00 2.20 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 2.52 2.39 0.00 59 K 7.69 4.11 0.00 1.95 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.64 7.81 60 E 7.69 4.39 0.00 2.08 1.99 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 2.56 2.49 0.00 61 G 7.91 3.80 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 0.00 0.00 0.00 62 I 7.51 4.49 2.03 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 1.14 1.08 0.95 0.00 0.00 63 H 8.72 5.15 0.00 3.22 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.87 4.68 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 0.74 0.00 0.00 1.01 0.00 0.00 65 L 8.74 4.44 0.00 0.75 0.38 0.41 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.63 5.00 0.00 2.56 2.62 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 67 W 8.66 5.23 0.00 3.33 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 68 P 0.00 4.76 0.00 1.95 1.94 0.00 3.72 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 2.04 2.08 0.00 69 F 8.07 4.99 0.00 2.85 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 70 D 9.24 4.40 0.00 2.72 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 71 D 8.66 4.47 0.00 2.94 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 72 G 9.14 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 0.00 0.00 0.00 73 A 7.54 4.47 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 74 P 0.00 3.22 0.00 1.66 1.24 0.00 3.43 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.07 0.00 75 P 0.00 3.92 0.00 1.59 1.19 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 76 S 8.32 4.23 0.00 3.98 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 77 N 8.59 4.34 0.00 2.72 2.89 0.00 0.00 6.47 8.18 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 78 Q 7.91 3.88 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 79 I 7.37 3.30 1.89 0.00 0.00 1.00 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 0.34 0.92 0.00 0.00 80 V 7.63 3.71 2.29 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 1.32 0.00 0.00 1.00 0.00 0.00 81 D 8.35 4.38 0.00 2.81 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 82 D 8.22 4.32 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.59 4.77 0.00 3.59 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 3.86 0.00 1.98 1.75 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.24 4.10 0.00 3.98 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 86 L 8.07 3.98 0.00 2.19 1.93 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.66 3.28 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 1.26 0.00 0.00 0.31 0.00 0.00 88 K 8.25 3.85 0.00 1.86 1.93 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.37 7.81 89 I 7.74 3.59 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.22 0.97 0.00 0.00 90 K 7.87 3.78 0.00 1.15 1.43 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.38 7.81 91 F 7.18 4.45 0.00 3.16 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 92 R 7.27 4.27 0.00 1.95 1.97 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 93 E 8.43 4.25 0.00 1.97 1.99 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 2.33 2.42 0.00 94 E 8.24 4.64 0.00 2.10 1.82 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 2.19 2.21 0.00 95 P 0.00 4.33 0.00 2.05 2.05 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 96 G 9.06 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 97 C 7.83 4.58 0.00 3.27 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 98 C 8.52 5.25 0.00 3.12 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 99 I 8.64 4.94 2.25 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.14 1.25 0.00 0.00 100 A 9.05 5.33 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 0.00 101 V 8.79 5.09 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 0.92 0.00 0.00 1.07 0.00 0.00 102 H 8.82 5.17 0.00 3.38 3.42 0.00 5.48 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 8.83 4.90 0.00 2.84 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 0.00 0.00 0.00 0.00 104 V 8.60 4.08 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 0.77 0.00 0.00 0.91 0.00 0.00 105 A 7.77 4.25 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.68 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.55 3.93 0.00 1.56 1.61 0.80 0.72 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 0.00 108 G 7.45 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 0.00 0.00 0.00 109 R 8.39 4.45 0.00 2.24 2.22 0.00 2.40 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.00 110 A 7.72 3.93 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 0.00 111 P 0.00 4.19 0.00 1.13 1.58 0.00 3.46 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 112 V 7.53 3.84 2.40 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 1.06 0.00 0.00 1.18 0.00 0.00 113 L 7.68 3.59 0.00 0.80 0.13 0.43 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.51 3.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.80 0.00 0.00 115 A 8.23 4.07 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 0.00 116 L 8.03 3.79 0.00 1.89 1.85 0.41 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.16 4.32 1.68 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 0.00 0.00 118 L 8.11 4.22 0.00 1.86 1.52 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.13 3.84 2.22 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 1.15 0.00 0.00 120 E 8.19 4.33 0.00 2.48 2.26 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 2.51 2.54 0.00 121 G 7.83 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 0.00 122 G 7.62 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 *124 K 7.66 4.18 0.00 1.77 1.92 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 125 Y 8.58 4.17 0.00 3.11 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 0.00 126 E 6.99 3.31 0.00 1.72 1.71 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 2.00 1.47 0.00 127 D 7.77 4.22 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.85 3.98 1.28 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 0.00 0.00 129 V 7.86 3.26 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 0.97 0.00 0.00 0.47 0.00 0.00 130 Q 8.17 3.97 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 131 F 8.49 4.05 0.00 3.01 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 0.00 132 I 8.04 4.03 2.28 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.18 0.96 0.00 0.00 133 R 8.42 4.23 0.00 2.10 2.02 0.00 3.19 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 134 Q 8.09 4.09 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 135 K 7.19 4.52 0.00 1.91 1.81 0.00 1.44 0.00 0.00 1.37 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.42 7.81 136 R 8.24 4.39 0.00 1.76 1.72 0.00 3.16 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 137 R 8.95 3.96 0.00 1.96 2.09 0.00 3.08 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 138 G 7.99 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 0.00 139 A 7.71 3.73 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 0.00 140 F 8.37 4.75 0.00 3.21 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 0.00 141 N 8.54 4.97 0.00 2.98 2.96 0.00 0.00 6.00 7.64 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 0.00 142 S 8.45 4.07 0.00 4.07 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 0.00 143 K 8.11 3.86 0.00 1.86 2.04 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.61 7.81 144 Q 8.87 2.79 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 145 L 7.81 3.86 0.00 1.82 1.73 0.94 0.51 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 0.00 146 L 7.66 3.94 0.00 1.80 1.72 0.91 0.74 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 0.00 147 Y 7.49 4.38 0.00 2.98 3.19 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 0.00 148 L 7.56 4.09 0.00 1.53 1.53 0.58 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.29 2.82 0.00 1.66 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 150 K 7.20 4.40 0.00 1.69 1.81 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.44 7.81 151 Y 7.22 4.04 0.00 2.89 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 0.00 152 R 7.62 4.18 0.00 1.58 1.69 0.00 3.20 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 153 P 0.00 4.27 0.00 2.26 2.25 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 154 K 8.70 3.73 0.00 1.79 1.59 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *156 R 9.04 4.32 0.00 1.84 2.03 0.00 3.38 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 157 L 7.91 4.03 0.00 1.72 1.26 1.07 0.72 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 0.00 158 R 7.89 4.61 0.00 1.62 1.75 0.00 3.10 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 159 F 8.38 4.38 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.