NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8296 8.3544 109.7192 44.9376 0.0000 174.0148 4 D 4.2130 8.4198 123.5141 53.1574 42.7360 175.6260 5 K 3.9937 9.4407 128.5743 59.5038 32.7108 178.7179 6 K 3.9938 8.0941 118.5072 58.8859 31.9626 179.1286 7 V 3.6664 8.2198 118.7794 66.3566 31.4507 178.0695 8 I 3.7126 7.7831 119.2206 64.6032 36.9263 178.5153 9 Q 3.9845 8.0441 118.7972 59.1634 28.5040 178.4093 10 H 4.1355 8.4238 117.4160 58.9701 28.7932 177.8018 11 L 4.0802 8.3155 121.0352 57.9777 41.4458 179.4405 12 N 4.4622 8.3718 116.4796 55.8769 38.4578 177.4500 13 K 3.9027 8.1893 121.1638 59.5518 32.3676 178.9276 14 I 3.6918 8.1810 120.4619 64.2809 37.0157 177.9316 15 L 4.0320 8.5379 121.6345 58.3485 41.8468 179.2917 16 G 3.6218 8.6359 105.7279 47.9749 0.0000 175.3735 17 N 4.3834 8.1727 118.8119 56.0937 38.0041 177.4313 18 E 3.9858 8.0865 120.0154 59.2616 29.3163 179.1558 19 L 3.9939 8.0604 119.1330 57.9168 41.5930 179.7609 20 I 3.6408 7.5953 118.9096 64.2382 37.0451 178.3906 21 A 3.2721 7.7377 121.5658 54.7796 18.1376 179.4534 22 I 3.6140 7.9259 118.7547 64.9056 37.1617 178.4380 23 N 4.3787 7.7414 116.7758 56.2040 38.3360 177.4074 24 Q 3.8350 8.0906 121.1180 59.4621 29.0933 177.9509 25 Y 4.7443 8.1077 119.5628 60.4956 37.9011 178.1691 26 F 3.8069 8.4474 121.7170 61.1796 39.5274 176.8792 27 L 4.0144 8.3830 120.2567 58.6349 41.8703 178.6901 28 H 3.8751 8.3707 116.1590 58.5715 28.4935 177.7816 29 S 4.2998 8.2642 115.2264 61.7123 62.2368 176.5867 30 R 3.8503 7.8928 120.6063 59.2034 29.7193 179.0572 31 M 3.5014 7.9659 118.9081 57.8748 31.8297 178.7497 32 W 4.4316 7.6457 119.0000 59.8987 29.2182 178.3687 33 N 4.4012 8.4363 116.5430 56.3656 37.7615 176.8586 34 D 4.3667 8.0837 118.7506 57.0458 41.3502 177.6186 35 W 4.8760 8.0366 116.4635 56.6722 29.4055 177.1633 36 G 3.9963 8.3319 108.0642 45.9710 0.0000 174.2665 37 L 4.7804 7.8683 122.3370 53.4067 40.2472 177.5565 38 K 4.0363 8.5068 121.6032 58.9549 32.3317 179.0254 39 R 3.8631 7.9457 119.3591 59.1395 29.9094 178.4407 40 L 3.8068 7.7667 118.4599 57.7338 41.6753 179.4640 41 G 3.8142 8.2673 105.4610 47.9768 0.0000 175.5416 42 A 4.0548 8.2850 123.2225 54.9814 18.4296 179.2013 43 H 3.9783 8.4993 117.0903 59.4740 29.5406 177.2150 44 E 4.0261 8.7108 121.3504 59.0120 29.4354 178.1252 45 Y 3.9901 7.7902 119.5289 61.0199 38.8323 177.7550 46 H 3.9778 8.1283 117.1148 58.7122 28.7704 177.6268 47 E 3.8121 8.0318 120.5050 59.2376 29.2133 179.2736 48 S 4.2726 8.2968 113.2604 61.6533 62.5572 176.2137 49 I 3.6047 7.5609 122.3715 64.5047 36.7673 178.0658 50 D 4.2729 8.1547 119.6061 57.5402 40.6085 178.8413 51 E 4.2982 8.1374 120.1575 59.0272 29.5050 179.3542 52 M 4.0536 8.0109 119.0031 58.2544 31.9822 178.9196 53 K 3.9838 8.0891 118.6615 59.5868 32.1103 179.0339 54 H 4.1980 8.0302 116.2752 59.0444 28.6276 177.5068 55 A 3.9846 8.1941 122.4782 55.2881 18.0839 179.2734 56 D 4.2270 7.9548 116.0506 57.5308 41.3845 178.6288 57 K 4.0005 8.0709 119.0371 59.3607 31.9874 179.2965 58 L 4.0182 8.2319 119.4896 57.9089 41.6009 179.6601 59 I 3.7295 8.0208 119.8337 64.5004 37.0632 178.4012 60 E 4.0207 8.3649 119.4667 59.3114 29.1709 179.4751 61 R 4.0253 8.1319 118.8199 59.3906 30.1278 178.4877 62 I 3.7116 7.9298 119.6601 64.5381 37.1264 178.3788 63 L 3.9950 7.8853 119.5445 57.8630 41.2484 179.3760 64 F 4.2709 8.2294 119.4141 61.0150 39.3951 176.2220 65 L 3.8928 7.8515 115.8831 54.0661 41.6387 176.5528 66 E 3.7219 8.0069 117.6870 57.3379 27.0148 174.8167 67 G 3.9050 8.0842 108.9789 44.3423 0.0000 173.5420 68 L 4.6056 8.0309 118.8347 52.0525 42.9159 175.1317 69 P 4.4239 0.0000 0.0000 62.2789 31.8927 175.9520 70 N 4.6808 8.9199 121.9005 52.4301 38.4757 173.9655 71 L 4.5345 8.2784 124.1510 54.5434 42.2064 177.4873 72 Q 4.0878 8.9591 122.0447 57.4660 29.4086 175.3645 73 D 4.6334 8.1185 117.7532 52.5190 41.4286 175.3891 74 L 4.5256 8.3138 126.9404 52.8449 43.4387 176.5848 75 G 3.8331 8.2959 117.2940 44.8363 0.0000 170.9198 76 K 4.2249 8.3681 120.9885 55.3408 32.8703 177.2277 77 L 4.1397 8.3626 126.5764 54.3263 42.3464 176.7867 78 L 4.4124 8.6739 124.0842 53.4027 41.0385 175.5978 79 I 4.2938 8.0595 124.7620 59.5160 38.0963 176.8346 80 G 4.0006 8.6343 115.1359 44.9200 0.0000 172.4568 81 E 4.7662 8.6685 114.4950 55.3345 30.7077 175.3499 82 N 5.1537 7.7379 116.8686 50.7624 41.9402 174.9529 83 T 4.4680 8.7069 116.4018 67.2899 68.5527 176.4500 84 Q 4.0110 8.2444 120.6845 59.3297 29.1439 178.0115 85 E 4.0466 8.8864 119.8267 59.5798 29.4710 179.2820 86 M 4.0061 8.2280 118.8498 58.2456 31.9611 178.7832 87 L 4.1978 8.3169 119.2026 57.9034 41.7587 179.3520 88 Q 3.9851 8.1236 119.4293 59.3741 28.9957 177.8618 89 C 4.1205 8.6795 118.0954 63.2508 28.2304 176.0225 90 D 4.6530 8.4531 120.2489 57.2588 40.3437 178.6602 91 L 3.9652 8.1141 120.9229 58.1928 42.1854 178.6534 92 N 4.3233 8.5342 116.8565 56.3429 38.4312 177.0493 93 L 3.9946 8.1509 121.6035 58.3743 42.1005 178.9669 94 E 4.0649 8.3469 118.4699 59.2031 29.2343 179.2588 95 L 4.0064 8.2049 119.3891 57.6913 41.7992 179.4875 96 K 3.9724 8.1424 119.3198 59.3323 32.1490 178.7460 97 A 4.0403 8.2453 121.3782 55.5482 18.3167 179.8138 98 T 3.8920 8.3391 114.6623 66.3448 68.5827 176.9396 99 K 3.9273 7.8674 121.6368 59.7862 32.2864 178.6099 100 D 4.4178 8.0250 118.7657 57.2472 40.6728 178.8087 101 L 3.9799 8.0726 119.5107 57.8872 41.6507 179.6575 102 R 3.9386 8.0629 117.8889 59.4515 30.1102 178.9645 103 E 3.9729 8.1746 117.7915 59.3869 29.4494 179.3548 104 A 3.5755 7.9740 120.8166 54.9268 18.3273 179.8364 105 I 3.6538 7.9095 118.4825 64.3890 37.1807 178.5228 106 V 3.5570 7.7339 119.2001 66.3931 31.2587 177.6355 107 H 4.0286 8.0555 117.3295 59.5477 29.8039 176.8844 108 C 3.9676 8.0558 118.5289 62.7125 27.9267 175.7184 109 E 3.8622 8.3277 120.8904 59.4493 29.0417 178.6001 110 Q 3.9181 7.6853 117.9300 58.9478 29.1207 177.8441 111 V 3.8589 7.1697 110.1398 60.8155 31.7014 175.8765 112 H 2.8645 7.2378 114.1974 56.9444 26.7756 176.3793 113 D 4.5265 7.1943 120.9010 53.4541 37.9207 175.9694 114 Y 4.3237 7.4420 121.2088 60.3674 38.4281 177.8468 115 V 3.6322 7.8231 119.1489 66.0281 31.7947 177.9879 116 S 4.1380 8.3910 114.9568 61.5912 62.6155 176.4014 117 R 3.8990 8.0694 121.3371 59.7094 29.7343 177.8723 118 D 4.3212 8.2807 117.6320 57.1929 41.2416 177.7664 119 L 3.9233 8.0389 120.7821 58.4517 42.0255 179.1026 120 L 4.0280 8.0696 118.7334 57.5650 41.5028 179.4447 121 K 3.9449 8.4810 120.1207 59.5376 32.1367 178.6602 122 D 4.3710 8.1384 119.2514 57.4424 40.6870 178.7709 123 I 3.5246 7.8229 120.3231 64.2277 36.9745 178.2779 124 L 3.9869 8.0972 121.4357 58.0099 41.8637 178.6554 125 E 3.9249 8.2731 119.4836 59.2937 29.5853 178.7730 126 S 4.1413 8.1940 113.2849 61.3827 62.3614 175.9925 127 E 4.1547 8.6256 121.8590 59.2650 29.1987 179.0720 128 E 4.0246 8.5796 119.0137 59.1532 29.4732 179.1052 129 E 4.0200 8.4558 119.0275 59.7422 29.4969 178.8241 130 H 4.3665 8.2596 118.2236 59.4208 29.9057 177.4172 131 I 3.7466 8.2165 121.9820 64.1243 36.8626 177.7956 132 D 4.3440 8.3498 119.0801 57.5216 41.0003 177.7187 133 Y 4.0555 8.2087 119.8239 60.6844 38.8203 177.9493 134 L 3.8079 8.2078 119.8488 58.0150 41.8025 179.4978 135 E 3.9292 8.2579 118.3296 59.5782 29.3570 179.5545 136 T 3.8061 7.9519 115.8364 66.6993 68.5142 176.7240 137 Q 3.8019 7.8976 120.1589 58.7231 28.5653 178.5414 138 L 3.8734 7.8277 120.1634 57.9082 41.6636 179.9547 139 G 3.5573 8.0555 105.3573 47.7115 0.0000 175.7162 140 L 4.0141 7.8974 121.2493 57.5275 41.6199 179.3377 141 I 3.5206 7.3354 119.7571 64.6340 36.7973 178.4422 142 Q 3.9350 7.4252 117.2941 59.0323 28.6593 178.7431 143 K 4.1723 8.2471 118.6186 58.4289 32.2060 178.8126 144 V 4.3043 8.4876 109.6751 59.5393 33.3845 176.2052 145 G 4.1308 7.8314 106.9002 45.8290 0.0000 174.4356 146 L 4.0027 8.5356 122.7686 58.1624 42.0112 179.5209 147 E 3.9741 8.1158 117.8238 59.4970 29.4512 178.8876 148 N 4.3259 8.1213 116.0124 56.3431 38.4590 176.3777 149 Y 4.0354 7.8712 119.7283 60.9809 39.1067 178.1373 150 L 4.0597 8.2217 119.6581 57.7497 41.7977 179.2016 151 Q 3.9058 8.1809 119.5065 59.3757 28.8024 178.4451 152 S 4.2728 8.1213 114.1939 60.3413 63.0466 174.5589 153 H 4.5984 7.7268 118.3956 55.6648 29.5116 176.1141 154 M 4.2244 7.9564 121.0637 57.7906 31.9594 176.1860 155 H 5.0793 7.5432 113.7919 53.9863 30.6643 174.9539 156 E 4.1321 8.6520 121.0622 56.8018 29.3072 176.9049 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 3 G 8.35 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 0.00 0.00 0.00 4 D 8.42 4.21 0.00 2.86 2.56 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 5 K 9.44 3.99 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.09 3.99 0.00 2.10 1.61 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.53 1.06 7.81 7 V 8.22 3.67 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 1.19 0.00 0.00 1.02 0.00 0.00 8 I 7.78 3.71 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.90 0.00 0.00 9 Q 8.04 3.98 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 10 H 8.42 4.14 0.00 3.43 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.32 4.08 0.00 1.82 1.74 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.37 4.46 0.00 2.83 2.85 0.00 0.00 6.64 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 13 K 8.19 3.90 0.00 1.91 1.97 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.18 3.69 2.01 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 1.72 1.00 0.92 0.00 0.00 15 L 8.54 4.03 0.00 1.79 1.91 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.64 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 17 N 8.17 4.38 0.00 2.96 2.88 0.00 0.00 7.04 7.42 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 18 E 8.09 3.99 0.00 2.16 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 2.53 2.52 0.00 19 L 8.06 3.99 0.00 1.80 1.69 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.60 3.64 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.88 0.00 0.00 21 A 7.74 3.27 0.99 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 0.00 0.00 22 I 7.93 3.61 1.97 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 1.52 0.88 0.89 0.00 0.00 23 N 7.74 4.38 0.00 2.73 2.83 0.00 0.00 6.74 7.98 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 24 Q 8.09 3.83 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 25 Y 8.11 4.74 0.00 3.05 2.98 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 26 F 8.45 3.81 0.00 3.40 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 27 L 8.38 4.01 0.00 1.81 1.61 0.89 1.31 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 28 H 8.37 3.88 0.00 3.51 2.88 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.26 4.30 0.00 3.96 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 30 R 7.89 3.85 0.00 1.90 1.90 0.00 3.02 0.00 0.00 2.74 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 31 M 7.97 3.50 0.00 0.87 1.49 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.20 0.00 32 W 7.65 4.43 0.00 3.70 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 33 N 8.44 4.40 0.00 2.88 2.85 0.00 0.00 6.67 7.60 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 34 D 8.08 4.37 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 35 W 8.04 4.88 0.00 3.73 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 36 G 8.33 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 37 L 7.87 4.78 0.00 2.11 1.63 1.29 0.98 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 38 K 8.51 4.04 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 39 R 7.95 3.86 0.00 2.03 1.89 0.00 2.92 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 40 L 7.77 3.81 0.00 1.25 0.15 0.33 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.27 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 42 A 8.28 4.05 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 43 H 8.50 3.98 0.00 3.33 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.71 4.03 0.00 2.53 2.20 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 2.74 2.63 0.00 45 Y 7.79 3.99 0.00 3.00 2.98 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 46 H 8.13 3.98 0.00 3.30 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.03 3.81 0.00 1.90 1.65 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 0.00 2.15 2.02 0.00 48 S 8.30 4.27 0.00 4.10 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 49 I 7.56 3.60 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.47 0.83 0.00 0.00 50 D 8.15 4.27 0.00 2.83 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 51 E 8.14 4.30 0.00 2.19 2.14 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 2.76 2.56 0.00 52 M 8.01 4.05 0.00 2.05 2.23 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 2.75 2.55 0.00 53 K 8.09 3.98 0.00 1.84 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.62 7.81 54 H 8.03 4.20 0.00 3.50 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.19 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.95 4.23 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.07 4.00 0.00 2.01 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.65 7.81 58 L 8.23 4.02 0.00 1.87 1.74 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.02 3.73 2.04 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 1.53 1.08 0.92 0.00 0.00 60 E 8.36 4.02 0.00 2.16 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 0.00 2.34 2.48 0.00 61 R 8.13 4.03 0.00 2.09 2.14 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 7.93 3.71 1.89 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 1.54 0.69 0.90 0.00 0.00 63 L 7.89 3.99 0.00 1.98 1.78 0.93 1.05 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 64 F 8.23 4.27 0.00 3.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.85 3.89 0.00 1.72 1.59 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.72 0.00 2.03 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 2.16 2.13 0.00 67 G 8.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.03 4.61 0.00 1.60 1.59 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.04 1.98 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 8.92 4.68 0.00 2.65 2.73 0.00 0.00 7.13 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 71 L 8.28 4.53 0.00 1.63 1.65 0.91 0.94 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 72 Q 8.96 4.09 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.12 4.63 0.00 2.68 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 74 L 8.31 4.53 0.00 1.52 1.52 0.88 1.07 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 75 G 8.30 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 0.00 0.00 0.00 76 K 8.37 4.22 0.00 1.98 1.72 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.02 7.81 77 L 8.36 4.14 0.00 1.63 1.54 0.92 0.97 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 78 L 8.67 4.41 0.00 1.67 1.68 0.98 0.70 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 79 I 8.06 4.29 1.88 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 1.33 0.77 0.91 0.00 0.00 80 G 8.63 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 81 E 8.67 4.77 0.00 2.08 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 2.33 2.27 0.00 82 N 7.74 5.15 0.00 2.92 2.88 0.00 0.00 6.21 7.22 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 83 T 8.71 4.47 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 Q 8.24 4.01 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 85 E 8.89 4.05 0.00 2.22 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 0.00 2.35 2.48 0.00 86 M 8.23 4.01 0.00 1.35 2.18 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.05 0.00 87 L 8.32 4.20 0.00 1.77 1.76 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.12 3.99 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.68 4.12 0.00 3.28 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 90 D 8.45 4.65 0.00 3.00 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 91 L 8.11 3.97 0.00 1.86 1.89 0.94 0.55 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 92 N 8.53 4.32 0.00 2.94 2.89 0.00 0.00 6.70 6.47 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 93 L 8.15 3.99 0.00 1.91 1.95 0.91 0.83 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 94 E 8.35 4.06 0.00 2.22 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 2.66 2.48 0.00 95 L 8.20 4.01 0.00 1.86 1.74 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.14 3.97 0.00 1.91 1.96 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.25 4.04 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 98 T 8.34 3.89 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 99 K 7.87 3.93 0.00 1.78 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.02 4.42 0.00 2.92 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 0.00 101 L 8.07 3.98 0.00 1.87 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.06 3.94 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 E 8.17 3.97 0.00 2.22 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 2.35 2.52 0.00 104 A 7.97 3.58 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.91 3.65 2.00 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 1.42 0.60 0.93 0.00 0.00 106 V 7.73 3.56 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 107 H 8.06 4.03 0.00 3.30 3.32 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.06 3.97 0.00 3.13 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 0.00 109 E 8.33 3.86 0.00 2.17 2.14 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 2.36 2.43 0.00 110 Q 7.69 3.92 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 111 V 7.17 3.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.80 0.00 0.00 112 H 7.24 2.86 0.00 3.14 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.19 4.53 0.00 2.64 2.46 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 0.00 114 Y 7.44 4.32 0.00 3.05 2.90 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 0.00 115 V 7.82 3.63 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 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.39 4.14 0.00 4.17 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.07 3.90 0.00 1.93 2.24 0.00 3.21 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 118 D 8.28 4.32 0.00 3.01 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 0.00 119 L 8.04 3.92 0.00 1.89 1.89 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.07 4.03 0.00 1.88 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.48 3.94 0.00 1.91 1.99 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.64 7.81 122 D 8.14 4.37 0.00 2.95 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 0.00 123 I 7.82 3.52 1.96 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 1.14 0.69 0.86 0.00 0.00 124 L 8.10 3.99 0.00 1.85 1.86 0.94 1.02 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 0.00 125 E 8.27 3.92 0.00 2.10 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 2.45 2.33 0.00 126 S 8.19 4.14 0.00 4.02 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 0.00 127 E 8.63 4.15 0.00 2.03 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 0.00 2.69 2.53 0.00 128 E 8.58 4.02 0.00 2.15 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 2.36 2.49 0.00 129 E 8.46 4.02 0.00 2.24 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 2.37 2.43 0.00 130 H 8.26 4.37 0.00 3.26 3.48 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.22 3.75 2.05 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 1.44 0.73 0.93 0.00 0.00 132 D 8.35 4.34 0.00 2.95 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 0.00 133 Y 8.21 4.06 0.00 3.19 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 0.00 134 L 8.21 3.81 0.00 2.04 1.69 1.11 0.71 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 0.00 135 E 8.26 3.93 0.00 2.00 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 2.50 0.00 136 T 7.95 3.81 4.34 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 1.17 0.00 0.00 137 Q 7.90 3.80 0.00 1.72 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 1.38 1.91 0.00 138 L 7.83 3.87 0.00 1.79 1.63 0.83 0.83 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 0.00 139 G 8.06 3.56 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 0.00 140 L 7.90 4.01 0.00 1.84 1.88 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.34 3.52 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.36 0.80 0.00 0.00 142 Q 7.43 3.93 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 8.25 4.17 0.00 1.69 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 144 V 8.49 4.30 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 0.79 0.00 0.00 1.10 0.00 0.00 145 G 7.83 4.13 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 0.00 0.00 0.00 146 L 8.54 4.00 0.00 1.77 1.70 0.97 0.96 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 0.00 147 E 8.12 3.97 0.00 2.06 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 2.40 2.40 0.00 148 N 8.12 4.33 0.00 2.95 2.89 0.00 0.00 6.70 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.87 4.04 0.00 2.97 3.18 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 0.00 150 L 8.22 4.06 0.00 1.90 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.18 3.91 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 152 S 8.12 4.27 0.00 3.91 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 0.00 153 H 7.73 4.60 0.00 2.92 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.96 4.22 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 155 H 7.54 5.08 0.00 3.10 3.17 0.00 5.72 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 0.00 156 E 8.65 4.13 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00