NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1107 8.0549 114.0583 60.9229 32.5780 174.9082 2 L 4.2179 8.4063 125.9739 52.5939 42.3914 176.2559 3 S 4.5057 9.4993 118.8311 57.5313 65.9438 174.5954 4 G 3.6593 8.6679 105.6334 48.5644 0.0000 175.7364 5 T 3.9510 7.6399 117.4037 67.3344 68.3406 175.2456 6 D 4.4829 8.5039 122.1527 55.0567 40.6534 179.1930 7 K 4.2524 8.0737 117.0089 59.9448 32.4391 178.3760 8 T 3.7814 8.0111 114.7260 67.6966 68.3125 176.0070 9 N 4.3057 8.5303 117.9081 56.2942 38.6602 177.8807 10 V 3.6512 8.0410 119.9057 66.0112 31.5112 177.9480 11 K 3.9693 7.9859 117.3009 58.6327 32.1197 179.1353 12 G 3.6676 8.7987 102.6197 47.1772 0.0000 174.6724 13 I 3.6066 5.4200 124.7386 64.1560 38.3358 175.3569 14 F 4.3586 8.3351 116.7242 58.9109 38.2427 177.3363 15 S 4.4733 10.2978 117.4969 60.5725 62.7196 175.9593 16 K 4.0162 7.7592 118.1320 57.8205 32.2450 178.1875 17 I 4.6039 7.2871 119.7475 62.6511 37.9970 177.8635 18 S 4.4175 7.9572 115.6057 61.3102 62.3142 176.4545 19 S 4.1570 8.1108 115.2776 60.6156 62.4622 174.1257 20 H 4.4300 8.3004 113.4375 56.4537 30.7630 176.9469 21 A 3.3389 8.9474 113.2513 50.9543 20.5313 180.9637 22 E 2.9413 9.7692 116.2989 54.8236 33.1060 179.2516 23 E 3.7095 7.9440 117.7993 58.7830 31.9423 176.7356 24 Y 4.6418 9.6425 117.1660 60.8702 37.7572 178.8448 25 G 4.3874 8.5287 106.7132 48.0311 0.0000 174.9636 26 A 4.1465 8.4084 122.2990 53.8911 18.4704 178.3847 27 E 4.1570 9.2130 118.0772 57.5461 30.2835 177.7603 28 T 4.1273 7.8959 115.0831 66.0203 68.4407 176.4248 29 L 3.5876 7.4403 120.5815 57.0508 42.0446 178.7695 30 E 4.3992 7.8242 118.3266 59.4898 29.4288 179.1015 31 R 3.9341 7.8581 117.3902 60.0116 30.1912 178.6789 32 M 4.0869 7.7593 117.3304 58.7372 31.7421 178.2851 33 F 4.5971 8.0751 117.5844 60.1694 39.4132 177.1419 34 I 4.0658 7.8332 115.9450 62.9402 38.1059 176.9089 35 T 4.1720 8.1124 115.8714 64.0836 70.4391 174.6125 36 Y 4.7429 7.4344 118.2266 54.7939 38.1382 174.2471 37 P 4.5802 0.0000 0.0000 65.3041 32.0326 177.5802 38 Q 4.3064 8.2393 115.7122 58.3986 28.8744 177.4688 39 T 4.5721 8.1685 111.4803 63.3544 69.0625 176.5381 40 K 4.5482 8.4375 122.6112 59.5262 31.9125 178.6510 41 T 3.8821 7.5489 107.8987 63.9551 68.5354 174.8612 42 Y 4.2252 7.7409 117.0666 58.0389 38.8153 175.5461 43 F 4.8597 8.7022 120.2584 55.6060 38.9204 174.3733 44 P 4.2580 0.0000 0.0000 66.2209 31.8333 178.2685 45 H 4.3967 8.6276 114.2950 57.5216 28.6963 176.1167 46 F 4.1397 7.4666 114.9766 57.2385 39.2329 174.1254 47 D 4.5748 8.8758 124.6814 53.8868 41.3622 176.0917 48 L 4.4889 8.3364 125.4074 54.6681 42.3113 175.8556 49 H 4.3293 8.6157 117.7685 55.1372 29.2545 174.4885 50 H 4.2136 8.8284 123.1262 58.3715 29.8747 174.6265 51 G 3.9635 9.0470 115.3417 45.3250 0.0000 174.7070 52 S 4.1040 8.1476 115.5555 58.5309 64.1343 174.7038 53 A 3.9456 8.6731 127.6738 55.7859 18.2711 179.5637 54 Q 3.5456 8.0599 115.6335 59.4370 28.5980 179.8021 55 I 4.1014 7.4142 120.6439 64.1077 37.0772 177.9636 56 K 3.8616 8.0073 119.3364 60.5320 31.9873 177.7334 57 A 4.1176 9.1671 122.1529 53.8375 18.2948 178.4755 58 H 4.1901 8.9988 115.8187 59.1997 30.2522 177.8258 59 G 3.7518 8.4566 106.7650 46.6205 0.0000 175.6467 60 K 3.9653 10.1954 121.8516 59.3076 32.4313 178.3509 61 K 3.7951 8.1221 118.2425 59.8448 31.8711 178.8734 62 V 3.4940 7.6633 117.1377 66.0114 31.4146 177.5271 63 A 3.9060 8.0479 119.9532 55.7344 17.9214 179.1849 64 N 4.2564 8.2522 114.2208 56.5373 38.5463 176.9378 65 A 4.3021 8.0670 122.0292 55.2281 18.4954 179.1919 66 L 3.9827 8.3538 116.4371 58.2714 41.7237 180.1159 67 I 3.2525 7.8488 118.1114 64.7110 37.3118 177.4414 68 E 3.7636 9.1552 120.0495 59.8221 29.0521 178.5031 69 A 3.9456 8.4953 119.4626 55.7967 18.3609 179.8776 70 V 3.3007 7.5155 115.3166 66.1911 31.8554 178.1295 71 N 4.4224 8.1251 114.7895 55.2287 39.0498 175.2705 72 H 5.0246 9.7600 118.2657 54.8960 29.4339 176.4145 73 I 3.7124 7.8592 121.1427 64.4062 38.1747 176.2115 74 D 4.5819 8.0412 116.5805 55.6662 41.1185 175.9672 75 D 4.6095 8.0650 117.4611 52.3823 42.8143 176.5816 76 I 3.7948 7.9045 122.9798 64.7849 37.6943 178.5850 77 S 3.9831 8.3644 114.3206 61.1498 62.0506 175.4852 78 G 3.7136 9.5582 106.0751 45.8917 0.0000 173.6504 79 A 4.7290 8.0937 120.7705 51.4822 20.3189 176.6265 80 L 4.7794 7.6274 115.9246 54.7070 44.0954 178.7354 81 S 4.0748 7.5955 114.1078 60.7935 63.6269 176.6776 82 K 3.9281 8.3978 118.0940 59.1753 31.8152 179.6558 83 L 3.8294 8.4214 117.5436 56.9968 42.1544 178.1589 84 S 3.8892 7.5410 113.7090 61.6404 62.1771 175.6086 85 D 4.5252 9.0024 121.1621 55.4270 41.0907 178.4010 86 L 4.0084 8.6044 122.4407 57.9413 42.1608 177.9775 87 H 4.4860 8.2670 114.6932 56.8477 28.8240 176.8387 88 A 3.9735 7.2843 121.1902 53.0695 19.8073 178.0445 89 Q 4.1070 7.6399 115.1542 58.6262 28.8219 176.7590 90 K 4.1562 7.2102 116.9111 57.7159 32.8960 178.1399 91 L 4.0386 7.7810 122.4765 58.3443 42.3402 179.5583 92 R 4.1388 8.0954 112.9209 56.7718 26.0989 177.0508 93 V 3.6258 8.2614 118.1198 62.4597 32.2303 174.8384 94 D 4.4764 8.4507 127.6651 53.5488 41.6935 174.9184 95 P 4.7603 0.0000 0.0000 66.1900 30.8302 178.7959 96 V 3.7410 8.0989 110.6295 64.2765 31.2692 178.2351 97 N 4.0672 8.6598 117.0207 56.0187 38.1154 177.2677 98 F 3.9627 7.8811 118.0244 60.2704 39.1769 177.7255 99 K 4.0963 7.7195 117.9138 59.3739 31.8134 178.8892 100 L 3.4242 7.7081 118.7267 58.0143 41.4201 179.2229 101 L 3.9061 7.9648 119.9419 58.3083 41.9309 179.2263 102 G 3.8196 8.5804 105.6145 47.2780 0.0000 175.6806 103 Q 3.9926 7.9465 121.4141 59.3569 29.1665 178.0074 104 C 4.2785 7.9200 117.9955 62.7270 28.0786 175.8272 105 F 4.8440 7.9007 122.0576 60.3773 39.0183 177.2832 106 L 3.6869 7.7616 118.9284 57.4306 41.4752 178.9353 107 V 3.4767 8.2248 118.5805 65.7687 31.3913 177.9175 108 V 3.5285 8.3503 118.0443 66.4295 31.3586 178.5404 109 V 3.2591 7.2028 117.3321 65.5803 30.7241 177.8582 110 A 3.8831 7.7060 120.3543 54.9642 17.9635 179.5177 111 I 3.5615 7.5709 117.5503 64.4839 37.2131 177.4838 112 H 4.6132 7.6201 114.6491 56.1309 31.1463 175.2345 113 H 4.8918 8.0209 117.0216 52.6581 28.1419 171.2371 114 P 4.2757 0.0000 0.0000 65.3958 32.2547 178.0916 115 S 4.1577 8.0053 115.5186 61.4827 63.4346 175.8927 116 A 4.0523 8.1264 122.9260 55.2145 18.3595 178.6898 117 L 4.2543 7.3199 117.8573 55.1097 39.7009 176.7916 118 T 4.2449 7.4758 114.2955 59.9169 71.5849 173.6020 119 P 4.2016 0.0000 0.0000 66.1754 30.8481 178.8772 120 E 4.0215 8.1420 116.4773 59.2610 29.3139 179.4779 121 V 3.4308 7.5537 117.9964 66.1276 31.4942 177.3549 122 H 3.9977 8.6249 118.2310 59.3170 29.5105 176.4067 123 A 4.3884 7.8296 119.0528 53.3396 18.0802 178.3096 124 S 4.5838 7.4045 113.5699 59.9623 64.4103 176.2496 125 L 4.1994 8.1589 123.0035 58.1236 41.6408 178.1730 126 D 4.3680 8.0859 118.3108 57.0163 41.1773 177.9588 127 K 3.8395 8.2204 118.5118 60.0566 32.0869 178.3882 128 F 4.3513 8.3154 120.4400 61.2122 39.4219 177.0491 129 L 3.9439 8.5005 118.7524 57.5998 41.2713 179.5307 130 C 4.1309 8.0476 116.4255 62.3613 28.4539 175.5066 131 A 4.0611 8.1561 122.8198 54.9460 18.1653 179.5934 132 V 3.3962 7.9354 117.2516 66.2404 31.3665 178.3428 133 G 3.7011 7.7267 103.9039 47.6783 0.0000 174.8266 134 A 4.0327 7.6689 122.7523 54.9055 18.4515 179.7833 135 V 3.5066 7.3452 115.0411 65.4821 31.6594 177.7129 136 L 4.1808 7.6262 117.1802 55.8953 41.7046 177.0740 137 T 4.4005 7.0503 109.9583 61.1194 69.2184 176.8703 138 A 3.8282 7.1475 122.9260 55.7604 18.8723 181.1439 139 K 4.0018 7.4370 114.9336 58.8496 32.2754 177.4138 140 Y 4.5362 8.0999 117.4724 60.0370 38.6731 175.9884 141 R 4.1411 7.5235 122.7084 56.8724 30.2005 176.6262 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 V 8.05 4.11 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 0.90 0.00 0.00 0.94 0.00 0.00 2 L 8.41 4.22 0.00 1.76 1.79 1.08 0.79 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 3 S 9.50 4.51 0.00 3.96 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 4 G 8.67 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.64 3.95 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 1.21 0.00 0.00 6 D 8.50 4.48 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.07 4.25 0.00 1.85 1.79 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.72 7.81 8 T 8.01 3.78 4.43 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 1.21 0.00 0.00 9 N 8.53 4.31 0.00 2.85 2.87 0.00 0.00 6.81 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.04 3.65 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 0.63 0.00 0.00 0.95 0.00 0.00 11 K 7.99 3.97 0.00 1.87 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 12 G 8.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 5.42 3.61 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.19 0.71 0.00 0.00 14 F 8.34 4.36 0.00 3.44 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 10.30 4.47 0.00 3.99 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 16 K 7.76 4.02 0.00 1.73 1.44 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 17 I 7.29 4.60 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.97 1.20 0.00 0.00 18 S 7.96 4.42 0.00 3.95 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 19 S 8.11 4.16 0.00 3.88 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 20 H 8.30 4.43 0.00 2.15 2.46 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.95 3.34 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 22 E 9.77 2.94 0.00 2.21 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 2.38 2.31 0.00 23 E 7.94 3.71 0.00 1.94 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 2.28 2.49 0.00 24 Y 9.64 4.64 0.00 3.26 2.99 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 25 G 8.53 4.39 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 0.00 26 A 8.41 4.15 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 27 E 9.21 4.16 0.00 2.03 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 2.31 2.41 0.00 28 T 7.90 4.13 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 1.30 0.00 0.00 29 L 7.44 3.59 0.00 1.67 1.79 0.75 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.82 4.40 0.00 2.14 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 2.48 2.50 0.00 31 R 7.86 3.93 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 32 M 7.76 4.09 0.00 1.60 2.02 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 33 F 8.08 4.60 0.00 3.23 2.95 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 34 I 7.83 4.07 1.92 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 1.63 0.78 1.04 0.00 0.00 35 T 8.11 4.17 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 0.62 0.00 0.00 36 Y 7.43 4.74 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.21 2.16 0.00 3.62 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 2.12 2.17 0.00 38 Q 8.24 4.31 0.00 2.34 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 39 T 8.17 4.57 4.35 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 0.00 0.00 0.00 1.36 0.00 0.00 40 K 8.44 4.55 0.00 2.07 1.99 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.42 1.70 7.81 41 T 7.55 3.88 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 1.23 0.00 0.00 42 Y 7.74 4.23 0.00 2.70 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 43 F 8.70 4.86 0.00 2.98 2.92 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 44 P 0.00 4.26 0.00 2.23 2.21 0.00 3.97 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 2.07 1.96 0.00 45 H 8.63 4.40 0.00 3.38 3.52 0.00 5.53 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.47 4.14 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.88 4.57 0.00 2.56 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 48 L 8.34 4.49 0.00 1.48 1.28 0.52 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.62 4.33 0.00 3.38 3.24 0.00 5.85 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 50 H 8.83 4.21 0.00 3.12 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.05 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 0.00 0.00 0.00 52 S 8.15 4.10 0.00 4.09 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 53 A 8.67 3.95 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 54 Q 8.06 3.55 0.00 1.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.88 0.00 0.00 0.00 0.00 0.00 1.64 2.11 0.00 55 I 7.41 4.10 2.09 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 1.58 1.01 1.08 0.00 0.00 56 K 8.01 3.86 0.00 1.93 1.98 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 57 A 9.17 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.00 4.19 0.00 3.74 3.62 0.00 5.79 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 59 G 8.46 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 60 K 10.20 3.97 0.00 1.86 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 61 K 8.12 3.80 0.00 1.88 1.86 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.58 7.81 62 V 7.66 3.49 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 1.03 0.00 0.00 0.88 0.00 0.00 63 A 8.05 3.91 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 64 N 8.25 4.26 0.00 2.96 2.89 0.00 0.00 6.98 7.61 0.00 0.00 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 A 8.07 4.30 1.36 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 66 L 8.35 3.98 0.00 1.96 2.01 0.48 1.07 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 67 I 7.85 3.25 1.99 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 1.56 0.78 0.88 0.00 0.00 68 E 9.16 3.76 0.00 2.03 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 0.00 2.34 2.45 0.00 69 A 8.50 3.95 1.51 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 0.00 0.00 70 V 7.52 3.30 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 0.57 0.00 0.00 -0.07 0.00 0.00 71 N 8.13 4.42 0.00 2.84 2.73 0.00 0.00 6.96 8.97 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 72 H 9.76 5.02 0.00 3.24 3.22 0.00 5.62 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.86 3.71 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.92 0.00 0.00 74 D 8.04 4.58 0.00 2.72 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 75 D 8.07 4.61 0.00 2.64 2.49 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 76 I 7.90 3.79 1.90 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.88 0.00 0.00 77 S 8.36 3.98 0.00 3.82 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 78 G 9.56 3.71 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 0.00 0.00 0.00 79 A 8.09 4.73 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 80 L 7.63 4.78 0.00 1.62 1.60 0.87 0.68 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 81 S 7.60 4.07 0.00 3.85 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 0.00 82 K 8.40 3.93 0.00 2.00 1.89 0.00 1.36 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.58 7.81 83 L 8.42 3.83 0.00 1.80 1.84 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.54 3.89 0.00 4.01 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 85 D 9.00 4.53 0.00 2.64 2.65 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 0.00 0.00 0.00 86 L 8.60 4.01 0.00 1.70 1.78 0.89 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.27 4.49 0.00 3.40 3.62 0.00 5.85 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 88 A 7.28 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.64 4.11 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 90 K 7.21 4.16 0.00 1.77 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.59 7.81 91 L 7.78 4.04 0.00 1.73 1.78 0.74 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.10 4.14 0.00 2.02 2.37 0.00 3.59 0.00 0.00 3.50 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 93 V 8.26 3.63 2.36 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 0.09 0.00 0.00 0.98 0.00 0.00 94 D 8.45 4.48 0.00 2.92 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 95 P 0.00 4.76 0.00 2.21 2.14 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 96 V 8.10 3.74 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 0.95 0.00 0.00 1.00 0.00 0.00 97 N 8.66 4.07 0.00 2.51 2.50 0.00 0.00 6.84 7.93 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 98 F 7.88 3.96 0.00 3.10 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 99 K 7.72 4.10 0.00 1.68 1.81 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 100 L 7.71 3.42 0.00 1.49 1.01 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.96 3.91 0.00 1.48 1.76 0.90 1.06 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 G 8.58 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 0.00 103 Q 7.95 3.99 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 104 C 7.92 4.28 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 4.84 0.00 3.12 3.10 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 0.00 0.00 0.00 106 L 7.76 3.69 0.00 1.88 1.55 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.22 3.48 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 0.98 0.00 0.00 0.99 0.00 0.00 108 V 8.35 3.53 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 0.84 0.00 0.00 1.04 0.00 0.00 109 V 7.20 3.26 1.61 0.00 0.00 0.00 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 -0.04 0.00 0.00 110 A 7.71 3.88 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 0.00 111 I 7.57 3.56 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 1.45 0.52 0.64 0.00 0.00 112 H 7.62 4.61 0.00 2.83 3.16 0.00 5.79 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.02 4.89 0.00 3.04 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.28 0.00 2.01 2.00 0.00 3.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 115 S 8.01 4.16 0.00 3.96 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 0.00 116 A 8.13 4.05 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 0.00 117 L 7.32 4.25 0.00 1.54 1.56 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.48 4.24 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 1.30 0.00 0.00 119 P 0.00 4.20 0.00 2.17 2.13 0.00 3.59 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 2.11 2.18 0.00 120 E 8.14 4.02 0.00 2.05 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 2.40 2.43 0.00 121 V 7.55 3.43 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 1.02 0.00 0.00 0.94 0.00 0.00 122 H 8.62 4.00 0.00 3.31 3.48 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 0.00 123 A 7.83 4.39 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 0.00 124 S 7.40 4.58 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.16 4.20 0.00 1.83 1.66 1.21 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.09 4.37 0.00 2.92 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 0.00 127 K 8.22 3.84 0.00 1.92 1.93 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.89 7.81 128 F 8.32 4.35 0.00 3.26 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 0.00 129 L 8.50 3.94 0.00 1.78 1.73 1.16 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 0.00 130 C 8.05 4.13 0.00 3.11 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 0.00 131 A 8.16 4.06 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.94 3.40 1.66 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 0.84 0.00 0.00 0.11 0.00 0.00 133 G 7.73 3.70 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 0.00 0.00 0.00 134 A 7.67 4.03 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 0.00 135 V 7.35 3.51 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 0.80 0.00 0.00 0.87 0.00 0.00 136 L 7.63 4.18 0.00 1.27 1.58 0.90 0.88 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 0.00 137 T 7.05 4.40 4.35 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 0.00 0.00 0.00 0.81 0.00 0.00 138 A 7.15 3.83 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 0.00 139 K 7.44 4.00 0.00 1.41 1.64 0.00 1.64 0.00 0.00 2.00 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.49 7.81 140 Y 8.10 4.54 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 0.00 141 R 7.52 4.14 0.00 1.91 1.88 0.00 3.17 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00