NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.6337 8.3033 117.8211 55.2848 30.7470 173.0680 1C H 3.9559 8.9083 114.0354 57.7031 26.0808 172.6059 1D H 4.2235 8.8642 110.0220 56.8168 27.6422 174.5972 1E H 5.0532 8.0894 112.8933 54.0372 32.8731 173.2192 1F H 4.5966 8.9392 117.2712 56.0532 28.9001 174.3167 1 F 4.6945 8.3811 119.5997 57.7760 39.8592 174.5513 2 N 4.6162 8.4359 117.7289 52.3916 38.6010 174.5245 3 L 4.7269 8.0079 123.6356 52.0458 43.7074 174.9827 4 P 4.4245 0.0000 0.0000 61.8222 32.0904 174.3334 5 P 4.4393 0.0000 0.0000 61.9339 32.6304 176.0045 6 G 3.9258 8.6646 105.2978 45.2593 0.0000 172.3493 7 N 4.5173 8.0487 116.9359 51.0677 40.1265 173.8649 8 Y 4.8605 7.8377 113.2073 57.9880 38.3991 177.2336 9 K 4.0937 8.6469 122.1413 59.0192 32.1805 177.3546 10 K 4.6679 7.6398 115.0308 53.4127 34.9182 173.7292 11 P 4.8793 0.0000 0.0000 63.0441 32.6138 174.7841 12 K 4.7323 9.2938 118.8296 56.1577 36.7158 174.2521 13 L 5.0227 9.1508 120.6011 53.2976 44.0728 176.3177 14 L 4.9343 8.6072 123.5381 53.5509 42.9935 174.4415 15 Y 4.6679 9.1404 126.8746 57.0332 40.2947 173.5813 16 C 3.7693 8.6167 128.6529 57.8337 32.1726 174.4015 17 S 3.6961 8.1222 122.1319 61.2876 62.6131 175.0046 18 N 4.0087 8.1010 118.3990 55.8571 38.7427 175.0386 19 G 3.8184 7.6399 104.7857 44.8097 0.0000 173.6084 20 G 3.4436 7.7294 107.5503 43.3028 0.0000 173.4773 21 H 4.5601 7.2542 116.3827 54.9995 30.6803 174.1409 22 F 5.2280 9.1165 121.0776 55.9382 40.6611 175.2675 23 L 4.4997 9.0577 126.2603 55.5524 43.1963 175.6465 24 R 4.9186 9.4480 125.9633 54.5976 33.6395 173.8587 25 I 4.7534 8.2227 126.5568 59.4924 38.9747 175.7612 26 L 4.1564 9.1402 128.0752 53.2225 42.4112 176.7656 27 P 4.1885 0.0000 0.0000 65.7080 31.2544 177.3144 28 D 4.5528 7.9966 114.7873 53.3970 39.7317 177.1130 29 G 4.3482 8.3335 109.7127 45.3880 0.0000 173.9469 30 T 4.2669 8.3455 117.8235 63.3429 69.0198 173.4559 31 V 4.8515 8.1421 125.1630 61.1273 34.3379 174.2872 32 D 4.5316 8.7156 126.6465 52.9685 42.8960 174.1193 33 G 4.5306 8.8669 105.1392 45.4152 0.0000 172.1944 34 T 4.9973 8.7490 114.7462 60.6808 71.0722 174.5840 35 R 4.3531 8.8140 123.9084 56.4137 31.3080 176.1654 36 D 4.6074 8.1831 119.4565 53.6019 40.6369 176.8794 37 R 3.8802 8.5671 126.4516 57.8791 30.3532 177.9943 38 S 4.2706 8.7301 112.3716 59.4037 63.6449 174.3151 39 D 4.3192 7.5358 120.5784 55.3031 41.1205 175.9649 40 Q 4.5170 8.4087 122.7273 55.7038 29.3288 175.6182 41 H 4.9583 9.3793 116.2000 55.4676 29.2240 175.2453 42 I 4.6264 7.5038 111.3571 59.9025 38.9784 175.2772 43 Q 4.2160 7.9037 121.9118 55.8005 29.7524 174.7783 44 L 4.9870 8.9855 124.6030 52.8199 45.3745 175.2743 45 Q 4.8133 9.2487 125.0833 54.5679 30.6616 174.2865 46 L 5.2276 8.5939 126.6730 53.7468 43.6522 176.1352 47 S 4.6074 8.5059 115.1637 56.8031 66.7719 172.8203 48 A 4.7584 8.4544 123.0009 52.1311 20.3607 175.8978 49 E 4.1659 8.8170 120.3185 56.5392 29.3611 179.1512 50 S 4.5913 5.8100 113.9309 56.9907 64.6348 173.0648 51 N 4.5166 8.5647 119.1623 55.2773 38.7224 176.1793 52 G 3.9105 9.1632 110.2507 45.2483 0.0000 172.1121 53 E 5.2743 8.2691 119.9367 54.6836 32.2629 175.6144 54 V 4.8698 8.8024 116.0207 60.0535 36.8517 173.8438 55 Y 5.3186 8.8582 119.6221 56.4742 41.3083 175.3516 56 I 4.3639 8.6434 122.6603 59.6617 40.1382 174.0253 57 K 4.6328 8.8202 129.4522 54.1215 34.8750 175.1149 58 S 4.4812 8.7198 123.0521 58.2792 62.5441 174.8763 59 T 3.8004 8.3972 118.7296 64.6453 68.7269 175.9576 60 E 4.0498 8.3759 122.6887 58.6615 29.8582 177.1316 61 T 4.2822 7.8062 106.0834 60.8230 70.0877 175.5761 62 G 3.7896 8.3641 110.1430 45.3631 0.0000 173.6288 63 Q 4.4477 7.5513 118.7580 55.8649 30.3408 174.5028 64 Y 4.9020 8.9585 119.3271 55.9359 40.7266 175.2481 65 L 4.4073 9.0219 125.8536 55.3873 43.4893 175.6004 66 A 4.9409 8.7073 125.8643 50.7022 23.2596 174.4028 67 M 5.3574 8.6689 119.2941 53.9207 34.9228 175.6089 68 D 5.2482 9.5679 126.1934 51.6417 41.3534 177.0219 69 T 4.2538 8.5480 108.3416 64.1139 68.6417 174.4542 70 D 4.6580 8.5482 121.0003 53.9472 41.3623 177.1055 71 G 3.2018 8.6427 108.6346 45.2847 0.0000 172.9650 72 L 4.7212 7.6654 119.1834 53.0245 43.1606 176.0345 73 L 5.0955 8.2911 122.4912 55.1844 42.9009 175.4662 74 Y 4.8538 8.6459 118.1424 56.2918 41.8541 173.3652 75 G 4.1989 9.0458 109.1813 45.4469 0.0000 173.2607 76 S 4.9966 9.1647 121.8675 56.9189 63.8317 175.3874 77 Q 4.4270 9.0132 125.0887 58.2412 28.9263 176.4634 78 T 4.6266 7.6795 106.4733 58.8827 71.6419 172.5260 79 P 3.8278 0.0000 0.0000 61.3593 30.2916 174.3850 80 N 5.2004 7.8246 124.5040 50.8579 40.3534 174.9957 81 E 3.9720 8.6797 114.3864 59.6365 29.6437 178.2525 82 E 4.0763 8.8592 118.4044 57.8003 29.7584 177.4330 83 C 4.9005 7.9364 115.2132 58.8425 29.1709 173.4064 84 L 4.3062 7.0576 121.0473 53.7408 42.6630 175.8919 85 F 5.2042 8.7846 121.4439 55.5929 43.5594 174.4812 86 L 4.7584 9.2542 122.8868 53.7122 42.4943 175.6114 87 E 4.4186 8.7652 126.9141 55.3913 30.1353 175.8649 88 R 4.8049 8.5735 125.7614 53.9900 34.5201 174.9262 89 L 4.7053 8.7234 124.2183 55.2908 43.1179 175.7900 90 E 4.7059 8.9927 124.1283 55.2762 33.6627 174.8015 91 E 4.0025 9.8032 123.1308 57.5789 27.3589 174.2497 92 N 4.2995 8.3969 110.7108 54.0779 36.4483 173.8384 93 H 4.7492 8.4099 117.7938 57.2324 37.6805 173.3232 94 Y 4.7148 7.6526 116.3079 57.1995 40.4540 173.8634 95 N 5.5938 9.5558 118.2599 51.8968 41.1522 174.5713 96 T 5.2876 9.0168 113.3932 60.1296 72.8750 172.7758 97 Y 4.9408 8.6418 119.0362 56.6174 41.5422 174.1616 98 I 4.5940 8.4638 126.0359 59.1204 39.5392 175.4887 99 S 4.0384 8.8382 122.2304 58.7726 62.3955 174.0526 100 K 3.9325 8.7769 129.2145 59.3848 32.2861 178.6458 101 K 3.7232 7.9164 118.1463 59.1518 32.2237 176.8056 102 H 4.7782 8.3435 114.0917 54.3004 29.4103 176.3060 103 A 3.9695 7.7507 126.0822 55.2644 18.1759 180.8800 104 E 3.9481 8.1153 113.2026 58.8301 29.6618 178.2705 105 K 4.1906 7.6672 116.8002 55.4084 32.7005 175.8216 106 N 3.8724 7.7175 115.8163 53.9207 36.5777 174.8778 107 W 5.1196 7.7164 117.5802 56.0157 30.7996 177.2941 108 F 5.3879 9.0966 124.0483 55.6803 40.8864 175.8966 109 V 3.9764 8.9378 121.9491 62.9918 32.5643 175.2334 110 G 4.5039 8.5967 112.6777 45.2697 0.0000 171.4454 111 L 5.3031 8.5887 121.3521 52.5344 45.1395 176.9975 112 K 4.1926 9.0596 122.8812 55.3314 33.0581 178.3439 113 K 3.8556 8.4709 120.0705 59.5319 31.9699 177.9361 114 N 4.5231 8.0422 113.4808 52.9224 37.6993 175.8058 115 G 3.4903 8.3692 108.6206 45.3916 0.0000 173.3409 116 S 4.9172 8.0573 114.5171 56.3313 64.9760 173.5585 117 C 4.7302 8.2986 119.3730 60.0672 28.5876 173.5315 118 K 4.4256 8.8296 121.7162 55.7771 33.4387 176.5731 119 R 4.2610 8.3200 121.1629 55.0807 31.6571 177.6116 120 G 3.3938 9.1487 114.5866 48.1595 0.0000 173.7487 121 P 4.4765 0.0000 0.0000 64.1108 31.4572 176.8117 122 R 4.5218 8.0537 118.1404 56.0021 30.2100 175.7166 123 T 5.3829 7.4038 107.6346 59.6283 71.3513 173.1692 124 H 4.6683 8.1169 114.4390 54.8676 30.4866 173.0736 125 Y 3.9782 8.6442 118.6820 60.1738 38.1463 176.8941 126 G 4.0506 8.9848 110.9888 45.5289 0.0000 174.0387 127 Q 4.1804 7.3794 118.3235 55.1346 29.8305 177.2625 128 K 3.7236 8.3149 119.6580 58.6823 32.7691 179.3846 129 A 3.9575 8.0514 121.3575 53.8882 18.3617 178.4406 130 I 4.5068 6.7235 105.9034 60.2241 38.3960 175.3383 131 L 4.4067 7.2312 122.9066 53.9098 42.7109 175.7684 132 F 5.5246 9.3702 122.3979 55.5275 43.5421 174.0458 133 L 5.2412 9.2198 122.6227 52.8216 45.1632 173.6883 134 P 5.1982 0.0000 0.0000 62.4759 31.7999 175.3208 135 L 4.7832 8.9161 126.1917 52.4426 43.5510 175.0796 136 P 4.6232 0.0000 0.0000 62.8431 32.3224 176.7393 137 V 3.7688 8.1612 113.0367 61.8231 31.6174 176.3199 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 1B H 8.30 4.63 0.00 3.16 3.54 0.00 5.75 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 1C H 8.91 3.96 0.00 3.38 3.30 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.86 4.22 0.00 3.23 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 8.09 5.05 0.00 3.20 3.25 0.00 5.86 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 1F H 8.94 4.60 0.00 3.32 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 8.38 4.69 0.00 2.76 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 2 N 8.44 4.62 0.00 2.96 2.80 0.00 0.00 6.91 6.74 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 3 L 8.01 4.73 0.00 1.48 1.41 0.60 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.42 0.00 2.18 2.12 0.00 3.66 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 1.97 1.91 0.00 5 P 0.00 4.44 0.00 2.17 2.08 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 6 G 8.66 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 0.00 0.00 0.00 7 N 8.05 4.52 0.00 2.63 2.67 0.00 0.00 5.96 7.55 0.00 0.00 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 Y 7.84 4.86 0.00 3.05 3.17 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 0.00 0.00 0.00 9 K 8.65 4.09 0.00 1.81 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.56 7.81 10 K 7.64 4.67 0.00 1.72 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.88 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 12 K 9.29 4.73 0.00 1.90 1.96 0.00 1.38 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.49 7.81 13 L 9.15 5.02 0.00 1.72 1.73 0.41 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.61 4.93 0.00 1.57 1.62 0.35 0.87 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 15 Y 9.14 4.67 0.00 3.30 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.62 3.77 0.00 2.44 2.43 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 17 S 8.12 3.70 0.00 3.85 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 18 N 8.10 4.01 0.00 2.56 2.59 0.00 0.00 6.75 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 19 G 7.64 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 20 G 7.73 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.25 4.56 0.00 3.01 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.12 5.23 0.00 3.04 3.03 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 0.00 0.00 0.00 23 L 9.06 4.50 0.00 1.80 1.52 0.95 0.45 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 24 R 9.45 4.92 0.00 1.90 2.05 0.00 3.28 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 25 I 8.22 4.75 1.83 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 1.18 0.73 0.88 0.00 0.00 26 L 9.14 4.16 0.00 1.82 1.51 0.92 0.97 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 27 P 0.00 4.19 0.00 2.00 2.10 0.00 3.54 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 28 D 8.00 4.55 0.00 2.78 2.76 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 0.00 0.00 0.00 29 G 8.33 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 0.00 0.00 0.00 0.00 30 T 8.35 4.27 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 1.22 0.00 0.00 31 V 8.14 4.85 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 0.93 0.00 0.00 32 D 8.72 4.53 0.00 2.86 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 33 G 8.87 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.75 5.00 4.33 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 1.36 0.00 0.00 35 R 8.81 4.35 0.00 1.87 2.01 0.00 3.19 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 36 D 8.18 4.61 0.00 2.84 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 37 R 8.57 3.88 0.00 1.78 1.78 0.00 3.36 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.71 0.00 38 S 8.73 4.27 0.00 3.90 3.97 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 39 D 7.54 4.32 0.00 2.83 2.66 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 40 Q 8.41 4.52 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.19 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 41 H 9.38 4.96 0.00 3.32 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.50 4.63 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 1.05 0.00 0.00 43 Q 7.90 4.22 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 44 L 8.99 4.99 0.00 1.58 1.44 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.25 4.81 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 46 L 8.59 5.23 0.00 1.71 1.37 0.92 1.05 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 47 S 8.51 4.61 0.00 3.94 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 48 A 8.45 4.76 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 49 E 8.82 4.17 0.00 1.64 1.43 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 2.14 2.26 0.00 50 S 5.81 4.59 0.00 4.11 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 51 N 8.56 4.52 0.00 2.94 3.02 0.00 0.00 6.98 7.65 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 52 G 9.16 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 0.00 0.00 0.00 53 E 8.27 5.27 0.00 1.89 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 2.26 2.40 0.00 54 V 8.80 4.87 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 0.62 0.00 0.00 1.12 0.00 0.00 55 Y 8.86 5.32 0.00 2.97 3.05 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 56 I 8.64 4.36 1.75 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.64 0.69 0.00 0.00 57 K 8.82 4.63 0.00 1.32 1.49 0.00 1.20 0.00 0.00 1.04 0.00 0.00 2.65 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.92 0.32 7.81 58 S 8.72 4.48 0.00 3.85 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 59 T 8.40 3.80 4.20 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 1.17 0.00 0.00 60 E 8.38 4.05 0.00 2.00 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 2.28 2.38 0.00 61 T 7.81 4.28 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 62 G 8.36 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 0.00 0.00 0.00 63 Q 7.55 4.45 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 64 Y 8.96 4.90 0.00 2.87 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 65 L 9.02 4.41 0.00 1.63 1.52 0.81 0.30 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 66 A 8.71 4.94 0.60 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 0.00 0.00 67 M 8.67 5.36 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 68 D 9.57 5.25 0.00 2.99 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 69 T 8.55 4.25 4.37 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 1.33 0.00 0.00 70 D 8.55 4.66 0.00 2.79 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 71 G 8.64 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 0.00 0.00 0.00 72 L 7.67 4.72 0.00 1.88 1.61 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.29 5.10 0.00 1.57 1.62 0.89 0.88 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 74 Y 8.65 4.85 0.00 3.00 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 75 G 9.05 4.20 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 0.00 0.00 0.00 76 S 9.16 5.00 0.00 3.75 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 77 Q 9.01 4.43 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 78 T 7.68 4.63 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 1.21 0.00 0.00 79 P 0.00 3.83 0.00 0.79 0.49 0.00 3.43 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.27 0.00 80 N 7.82 5.20 0.00 2.91 2.94 0.00 0.00 5.89 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 81 E 8.68 3.97 0.00 2.10 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 0.00 2.35 2.32 0.00 82 E 8.86 4.08 0.00 2.22 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 2.38 2.44 0.00 83 C 7.94 4.90 0.00 3.22 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 84 L 7.06 4.31 0.00 1.47 1.30 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.78 5.20 0.00 3.14 3.05 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 86 L 9.25 4.76 0.00 1.53 1.61 0.93 1.01 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 87 E 8.77 4.42 0.00 2.09 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 2.18 1.86 0.00 88 R 8.57 4.80 0.00 1.77 1.80 0.00 3.07 0.00 0.00 2.84 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 89 L 8.72 4.71 0.00 1.51 1.69 1.00 0.80 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 90 E 8.99 4.71 0.00 2.26 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 2.31 2.47 0.00 91 E 9.80 4.00 0.00 2.36 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 0.00 2.29 2.39 0.00 92 N 8.40 4.30 0.00 2.83 2.88 0.00 0.00 6.88 8.16 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 93 H 8.41 4.75 0.00 2.84 2.94 0.00 5.94 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 94 Y 7.65 4.71 0.00 3.01 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 95 N 9.56 5.59 0.00 3.06 2.69 0.00 0.00 6.96 6.97 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 96 T 9.02 5.29 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 1.37 0.00 0.00 97 Y 8.64 4.94 0.00 2.79 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 98 I 8.46 4.59 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.56 0.69 0.00 0.00 99 S 8.84 4.04 0.00 4.11 4.10 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 0.00 100 K 8.78 3.93 0.00 1.65 1.64 0.00 1.67 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.13 7.81 101 K 7.92 3.72 0.00 1.75 1.63 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.05 1.31 7.81 102 H 8.34 4.78 0.00 3.23 2.50 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.75 3.97 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 0.00 104 E 8.12 3.95 0.00 2.08 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 2.20 2.18 0.00 105 K 7.67 4.19 0.00 0.79 1.31 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.45 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.04 0.88 7.81 106 N 7.72 3.87 0.00 2.99 3.00 0.00 0.00 6.90 7.19 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 0.00 107 W 7.72 5.12 0.00 3.29 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 0.00 108 F 9.10 5.39 0.00 2.90 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 0.00 109 V 8.94 3.98 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 0.62 0.00 0.00 0.43 0.00 0.00 110 G 8.60 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 0.00 0.00 0.00 0.00 111 L 8.59 5.30 0.00 1.44 1.43 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.06 4.19 0.00 1.95 1.66 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 113 K 8.47 3.86 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 114 N 8.04 4.52 0.00 2.79 2.90 0.00 0.00 6.16 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 0.00 115 G 8.37 3.49 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 0.00 116 S 8.06 4.92 0.00 3.97 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 0.00 117 C 8.30 4.73 0.00 2.87 2.91 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 0.00 118 K 8.83 4.43 0.00 1.60 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.37 7.81 119 R 8.32 4.26 0.00 1.63 1.61 0.00 3.05 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 120 G 9.15 3.39 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 0.00 121 P 0.00 4.48 0.00 2.17 2.23 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 122 R 8.05 4.52 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 123 T 7.40 5.38 4.33 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 1.40 0.00 0.00 124 H 8.12 4.67 0.00 3.37 3.48 0.00 5.49 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 0.00 125 Y 8.64 3.98 0.00 3.09 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 0.00 126 G 8.98 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 0.00 127 Q 7.38 4.18 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.77 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 128 K 8.31 3.72 0.00 1.74 1.63 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.26 7.81 129 A 8.05 3.96 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 0.00 130 I 6.72 4.51 1.70 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.59 0.00 0.00 131 L 7.23 4.41 0.00 1.12 0.65 0.40 0.64 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 0.00 132 F 9.37 5.52 0.00 3.38 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 0.00 133 L 9.22 5.24 0.00 2.09 1.72 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.20 0.00 2.22 2.25 0.00 3.91 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 2.06 2.10 0.00 135 L 8.92 4.78 0.00 1.73 1.66 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.62 0.00 2.07 2.06 0.00 3.77 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 1.98 2.00 0.00 137 V 8.16 3.77 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 0.66 0.00 0.00 0.91 0.00 0.00