NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9867 8.3393 109.7360 45.1673 0.0000 173.8107 2 S 4.5207 7.6001 111.9835 56.6421 65.5939 171.6526 3 S 4.5783 8.3079 116.0188 56.8823 67.4949 175.8028 4 G 3.8216 8.6890 112.2482 46.2065 0.0000 173.9925 5 S 4.6241 8.5069 125.4663 58.6332 63.1763 174.9337 6 S 4.4681 8.0175 115.3282 57.3285 64.0103 175.5262 7 G 4.0340 7.9609 110.3234 46.1025 0.0000 173.1455 8 W 4.8080 8.7085 127.0784 56.0750 31.6131 174.7574 9 C 5.3648 8.3797 120.3659 57.8485 34.6201 172.2865 10 L 4.8726 9.2968 128.3842 53.1363 44.1525 175.6111 11 S 4.7798 9.2769 121.5419 58.6787 63.8905 172.7903 12 V 4.7885 9.2365 124.1662 61.4371 35.6463 173.9216 13 H 5.3377 8.5956 121.7019 53.8794 29.7136 175.4821 14 Q 4.5016 8.9950 122.9708 55.1678 29.4772 175.0970 15 P 4.4699 0.0000 0.0000 66.0569 31.9308 179.7154 16 W 4.3894 7.5747 118.8276 59.4267 29.2934 177.4920 17 A 4.0791 8.0428 120.6959 55.9587 17.7336 179.8872 18 S 4.1555 8.7969 112.9330 61.6823 63.0184 176.8504 19 L 3.9322 8.1769 121.1438 58.1838 41.0775 179.1703 20 L 4.5398 8.2760 120.6818 57.4438 41.4428 179.7668 21 V 3.7473 7.4443 111.5640 63.8441 31.5931 178.6412 22 R 4.1372 7.8388 118.2861 59.2026 29.9886 176.9552 23 G 4.0481 6.9785 106.2689 45.6432 0.0000 174.2119 24 I 3.9222 8.2535 122.3873 61.6668 38.7074 175.8753 25 K 4.3110 7.5461 123.4963 55.2098 31.8446 175.3868 26 R 4.7297 8.4480 122.6651 55.9109 30.7663 175.8856 27 V 4.9235 7.5873 110.7552 60.3975 35.9754 173.4305 28 E 4.4581 8.8064 124.5206 54.2247 32.6737 174.6044 29 G 3.9678 7.8582 112.9134 44.5712 0.0000 173.2009 30 R 4.3092 7.3176 121.5129 54.2897 34.8528 175.5919 31 S 4.6342 8.4841 117.9310 58.2327 62.8378 173.6659 32 W 5.6629 7.2302 116.3465 55.3996 31.0766 172.9531 33 Y 4.2409 8.7771 119.4446 55.8692 39.9416 174.9822 34 T 4.4346 6.9152 119.8102 59.5538 68.9169 172.1104 35 P 4.5492 0.0000 0.0000 63.6632 31.4096 175.7842 36 H 3.9895 7.6192 120.0692 56.7545 29.5155 174.4723 37 R 4.6698 9.5976 126.4218 53.4727 33.2047 174.2216 38 G 4.1011 6.7775 113.1760 45.2197 0.0000 173.9981 39 R 4.6161 8.1849 126.1476 54.4809 31.6406 174.3225 40 L 4.7885 8.2125 126.9721 53.2890 45.4932 175.0893 41 W 4.6710 9.5600 128.1341 56.8497 30.4986 175.3407 42 I 5.1464 9.3761 125.3770 58.9560 38.8853 174.5685 43 A 5.0887 8.6906 127.6307 49.8704 22.8001 174.7110 44 A 4.8286 8.7057 123.5431 51.3338 19.7451 177.8024 45 T 4.3453 8.9389 113.7755 62.0711 69.6073 174.8916 46 A 4.2119 8.6499 122.7806 53.5525 18.7977 177.9814 47 K 4.2296 7.9668 117.2034 55.8020 33.0052 175.7776 48 K 4.6066 8.2961 123.9947 54.0981 34.3557 174.2933 49 P 4.2732 0.0000 0.0000 62.5177 32.0761 176.5361 50 S 4.3230 8.3585 118.9733 57.4345 63.1884 173.2048 51 P 4.3967 0.0000 0.0000 64.6481 31.0696 178.0762 52 Q 3.9307 7.6780 117.9876 58.3251 29.4426 177.4902 53 E 3.8582 7.8051 119.1503 59.0326 29.5614 179.3496 54 V 3.1569 7.2833 117.7726 65.9295 31.4919 177.9709 55 S 3.9270 7.3132 112.4546 61.3556 62.2024 176.0102 56 E 3.9526 8.0211 121.0649 59.5115 29.3364 179.1338 57 L 4.0932 8.1932 119.1909 58.0442 41.5789 179.6004 58 Q 3.8992 8.3889 117.9972 59.1062 28.3664 179.0291 59 A 4.1667 7.5151 120.1857 54.9901 18.3567 179.6045 60 T 3.9596 8.4468 114.7154 67.2348 68.6015 176.5908 61 Y 4.0932 8.7656 118.8985 61.0191 37.8659 178.3684 62 R 4.2693 8.1738 118.9080 59.2887 30.0017 178.2695 63 L 4.3643 7.5804 115.6279 55.8206 42.0913 178.1704 64 L 4.3737 7.7441 117.8318 55.9250 42.1676 177.3541 65 R 4.4695 9.3698 116.0348 55.8524 32.7935 174.3635 66 G 3.5468 8.1983 103.8386 43.1531 0.0000 174.6649 67 K 3.9298 8.7710 125.7114 60.0050 32.3618 176.9278 68 D 4.6990 7.9701 117.7849 54.5316 40.4921 176.6531 69 V 3.7888 7.8064 114.7105 61.2755 32.2572 174.8249 70 E 4.6136 7.6174 119.0601 55.1308 32.1729 175.7897 71 F 4.9262 7.9687 117.3367 55.7934 42.9661 172.9730 72 P 4.4759 0.0000 0.0000 62.3880 31.8992 176.0533 73 N 4.5279 8.4474 116.3298 55.1885 37.7880 174.2906 74 D 4.7955 7.4063 115.9787 53.2721 45.0834 174.3753 75 Y 4.4125 8.2405 116.8616 55.4800 39.1393 173.7467 76 P 4.6803 0.0000 0.0000 62.2669 32.6143 175.9981 77 S 4.8781 7.5330 111.0879 57.6028 65.3866 173.7772 78 G 3.8754 10.0958 111.3791 46.2246 0.0000 172.6304 79 C 5.5497 7.4605 113.6087 58.5489 33.0938 174.0345 80 L 3.9975 8.4205 124.4273 55.3772 42.2655 176.2209 81 L 4.2803 8.9534 128.7217 55.7676 41.6416 178.7334 82 G 4.6986 7.9591 110.3973 45.1100 0.0000 170.1822 83 C 5.2953 8.5384 116.6723 57.2641 33.4323 173.9144 84 V 4.6654 8.7396 113.0655 59.6535 36.0676 174.2102 85 D 4.7038 9.1508 125.6809 53.6726 42.1685 175.3156 86 L 4.5958 8.8026 130.5703 54.9507 41.8973 177.4235 87 I 3.7926 8.4633 121.3294 63.7789 38.3163 175.7575 88 D 4.4548 7.4991 120.0453 53.2992 45.5807 174.2714 89 C 5.4775 8.3334 119.6019 56.7323 33.0631 173.2547 90 L 4.8150 8.2846 126.4659 53.8093 44.0119 175.5538 91 S 5.3543 8.5606 114.3537 56.6991 65.7000 174.8366 92 Q 3.8020 8.7282 119.6720 59.1575 28.5806 179.4368 93 K 4.2270 8.3501 119.2759 58.7701 32.6557 178.2678 94 Q 4.0508 7.9746 116.9950 59.0275 28.8450 178.3119 95 F 4.4479 9.0474 122.3812 61.7347 39.1971 177.5533 96 K 3.8446 8.0747 117.3965 59.9445 32.3380 178.2414 97 E 3.9406 8.1725 119.1117 59.5695 29.5392 179.3390 98 Q 4.0232 8.5352 116.6135 57.7597 30.7864 177.2583 99 F 4.6425 8.4142 119.6133 55.3925 38.0499 174.7534 100 P 4.5333 0.0000 0.0000 64.0448 31.9923 178.2848 101 D 4.5189 7.9455 118.5133 56.1645 40.7925 176.7282 102 I 4.6653 7.4630 111.9050 60.2788 38.0282 177.6578 103 S 3.7794 8.0817 117.7666 61.1429 62.9911 174.8841 104 Q 4.3293 7.9149 117.8499 57.5818 29.4569 176.3905 105 E 4.0564 7.6411 117.2766 58.6778 29.7365 177.2411 106 S 4.7085 8.0760 110.0893 56.2948 65.3754 172.4501 107 D 4.7239 8.2352 122.5342 54.8734 43.2093 176.5965 108 S 4.1256 7.8137 113.8947 57.9218 63.5389 172.5379 109 P 4.1578 0.0000 0.0000 65.0608 32.3599 175.3876 110 F 5.3296 7.8331 119.6730 55.3861 41.2876 174.7234 111 V 3.6012 8.8146 125.3930 61.9123 32.9443 174.9292 112 F 4.6766 8.3936 127.4210 55.9120 40.2288 175.1441 113 I 4.1849 8.7943 126.9024 61.3587 37.7079 175.4367 114 C 5.4309 8.6898 124.2897 58.0885 32.0234 173.1489 115 K 4.5186 8.5853 119.7059 54.5336 37.0060 175.4749 116 N 4.1298 8.5263 115.4149 53.9689 35.5683 173.9576 117 P 4.6650 0.0000 0.0000 62.8944 32.6205 177.1756 118 Q 4.5568 8.7002 122.4639 54.0694 31.8134 173.6971 119 E 4.8122 8.8154 124.1973 54.6516 30.6426 175.6544 120 M 4.4194 8.7526 127.4619 55.4597 32.7372 176.9754 121 V 3.7592 8.3097 122.2783 64.6984 31.9984 176.9234 122 V 4.4168 7.5852 117.9829 59.5084 33.4095 174.7177 123 K 4.2476 8.2138 122.0839 53.9573 34.3721 175.5408 124 F 5.1951 7.6015 120.9290 55.0189 42.3931 173.5355 125 P 5.3602 0.0000 0.0000 62.7907 29.5243 175.0549 126 I 4.8609 8.3115 119.5943 59.5941 41.1756 174.9556 127 K 4.4762 8.6692 121.7243 54.6546 33.7418 176.9564 128 G 4.5372 8.1736 111.3009 44.2966 0.0000 172.1844 129 N 4.8724 8.1579 114.5221 51.2074 42.2521 174.0194 130 P 4.7202 0.0000 0.0000 63.9856 31.5044 175.5539 131 K 4.0463 7.5234 117.7528 54.9433 35.9932 174.9246 132 I 4.6438 7.7490 120.2435 60.9958 38.2384 176.0451 133 W 5.5393 8.6620 121.8631 54.3746 31.5753 174.3636 134 K 3.2710 9.1803 125.5372 56.3635 31.9718 176.3013 135 L 3.9537 7.3022 127.4985 54.4003 42.9686 176.0757 136 D 4.4676 8.5119 119.5913 53.9735 42.0951 176.6251 137 S 3.9540 8.7781 121.3685 61.6851 62.0772 176.6956 138 K 3.8478 7.9197 120.4792 59.3211 31.8336 179.3450 139 I 3.1968 7.4282 119.5837 64.5708 36.8803 177.2982 140 H 3.7053 8.1783 117.6585 60.3420 29.7981 176.2370 141 Q 3.9179 7.8973 118.8498 58.5192 28.4401 179.3284 142 G 3.6493 7.7692 105.3255 47.9764 0.0000 175.0938 143 A 4.1395 8.0979 123.9718 54.9018 17.9840 179.9583 144 K 4.5338 8.0329 115.6503 59.1339 32.3449 179.3380 145 K 4.3361 7.5837 119.7422 58.8086 32.3124 179.1750 146 G 3.9556 8.5994 108.2921 48.0359 0.0000 173.8465 147 L 4.3924 7.8970 119.1117 55.2582 41.8116 177.6107 148 M 4.3230 7.9003 119.0561 57.0324 31.8361 176.3622 149 K 4.6580 7.6459 116.2639 54.9794 36.2388 174.5312 150 Q 4.6362 8.1791 119.1930 53.5752 32.6124 174.2640 151 N 4.6455 8.4056 117.0094 52.4453 37.9196 175.1911 152 K 4.0479 8.4408 116.7841 59.4714 33.0682 178.2189 153 A 4.0758 8.1196 122.2089 55.1464 18.4418 177.4272 154 V 3.7883 8.1282 118.3824 61.9668 31.4223 175.9465 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 G 8.34 3.99 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 0.00 2 S 7.60 4.52 0.00 4.04 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 3 S 8.31 4.58 0.00 3.85 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 4 G 8.69 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 5 S 8.51 4.62 0.00 3.92 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 6 S 8.02 4.47 0.00 3.48 3.35 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 7 G 7.96 4.03 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 0.00 0.00 0.00 8 W 8.71 4.81 0.00 3.17 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 9 C 8.38 5.36 0.00 2.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 9.30 4.87 0.00 1.91 1.64 1.55 1.14 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 11 S 9.28 4.78 0.00 4.39 4.03 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 12 V 9.24 4.79 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 1.17 0.00 0.00 1.14 0.00 0.00 13 H 8.60 5.34 0.00 3.23 3.40 0.00 5.96 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.99 4.50 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.27 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 15 P 0.00 4.47 0.00 2.07 1.18 0.00 2.98 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 16 W 7.57 4.39 0.00 3.85 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 17 A 8.04 4.08 1.50 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 18 S 8.80 4.16 0.00 4.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.18 3.93 0.00 1.82 1.58 0.66 0.84 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 20 L 8.28 4.54 0.00 2.03 1.70 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.44 3.75 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 22 R 7.84 4.14 0.00 1.80 1.88 0.00 3.31 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 23 G 6.98 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 24 I 8.25 3.92 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.26 0.40 0.00 0.00 25 K 7.55 4.31 0.00 1.77 1.80 0.00 1.89 0.00 0.00 2.26 0.00 0.00 3.15 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.73 7.81 26 R 8.45 4.73 0.00 2.08 2.14 0.00 3.13 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 27 V 7.59 4.92 1.75 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 0.77 0.00 0.00 1.11 0.00 0.00 28 E 8.81 4.46 0.00 1.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 29 G 7.86 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 0.00 0.00 0.00 30 R 7.32 4.31 0.00 0.67 0.66 0.00 3.31 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.56 0.00 31 S 8.48 4.63 0.00 4.07 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 32 W 7.23 5.66 0.00 3.69 3.14 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 33 Y 8.78 4.24 0.00 1.46 2.44 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 34 T 6.92 4.43 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 35 P 0.00 4.55 0.00 2.20 2.18 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 36 H 7.62 3.99 0.00 2.77 3.07 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.60 4.67 0.00 1.72 1.74 0.00 3.61 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.48 0.00 38 G 6.78 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 0.00 0.00 0.00 39 R 8.18 4.62 0.00 1.75 1.76 0.00 2.84 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.33 0.00 40 L 8.21 4.79 0.00 1.86 1.62 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.56 4.67 0.00 3.24 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 42 I 9.38 5.15 1.94 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 1.28 2.36 1.00 0.00 0.00 43 A 8.69 5.09 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 0.00 0.00 0.00 0.00 0.00 44 A 8.71 4.83 1.39 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 45 T 8.94 4.35 4.31 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 1.24 0.00 0.00 46 A 8.65 4.21 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 47 K 7.97 4.23 0.00 1.82 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 48 K 8.30 4.61 0.00 1.90 1.81 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 49 P 0.00 4.27 0.00 1.72 1.81 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 50 S 8.36 4.32 0.00 4.08 3.77 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 51 P 0.00 4.40 0.00 2.20 2.23 0.00 3.63 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 2.02 2.01 0.00 52 Q 7.68 3.93 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 E 7.81 3.86 0.00 1.83 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 54 V 7.28 3.16 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 0.62 0.00 0.00 0.45 0.00 0.00 55 S 7.31 3.93 0.00 3.82 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 56 E 8.02 3.95 0.00 2.13 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 0.00 2.29 2.49 0.00 57 L 8.19 4.09 0.00 1.53 1.83 -0.56 1.24 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 58 Q 8.39 3.90 0.00 1.97 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 59 A 7.52 4.17 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 60 T 8.45 3.96 4.40 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 1.00 0.00 0.00 61 Y 8.77 4.09 0.00 3.27 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.17 4.27 0.00 2.10 2.11 0.00 3.33 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.21 0.00 63 L 7.58 4.36 0.00 1.65 1.73 0.93 0.98 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 64 L 7.74 4.37 0.00 1.84 1.77 0.65 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 R 9.37 4.47 0.00 1.75 1.96 0.00 3.40 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 66 G 8.20 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.77 3.93 0.00 1.92 2.04 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.53 7.81 68 D 7.97 4.70 0.00 2.69 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 69 V 7.81 3.79 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 0.66 0.00 0.00 0.80 0.00 0.00 70 E 7.62 4.61 0.00 1.71 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 2.13 2.18 0.00 71 F 7.97 4.93 0.00 3.04 2.86 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 0.00 0.00 0.00 72 P 0.00 4.48 0.00 1.91 1.81 0.00 4.02 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.46 0.00 73 N 8.45 4.53 0.00 2.83 2.98 0.00 0.00 5.81 8.02 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 74 D 7.41 4.80 0.00 2.61 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 75 Y 8.24 4.41 0.00 2.85 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 76 P 0.00 4.68 0.00 2.20 2.10 0.00 3.72 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 2.00 1.93 0.00 77 S 7.53 4.88 0.00 4.16 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 10.10 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 7.46 5.55 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.42 4.00 0.00 1.69 1.12 0.72 0.87 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 81 L 8.95 4.28 0.00 1.81 1.57 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.96 4.70 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 83 C 8.54 5.30 0.00 2.22 2.18 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 84 V 8.74 4.67 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 0.84 0.00 0.00 0.96 0.00 0.00 85 D 9.15 4.70 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.60 0.00 1.75 1.49 0.78 0.48 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 87 I 8.46 3.79 1.89 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 1.31 0.97 0.92 0.00 0.00 88 D 7.50 4.45 0.00 2.60 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 89 C 8.33 5.48 0.00 2.33 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 0.00 0.00 0.00 0.00 90 L 8.28 4.82 0.00 1.88 1.85 1.49 0.95 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 91 S 8.56 5.35 0.00 3.97 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.73 3.80 0.00 1.92 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.02 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 93 K 8.35 4.23 0.00 1.86 1.82 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.55 7.81 94 Q 7.97 4.05 0.00 2.53 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 95 F 9.05 4.45 0.00 3.05 3.27 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 0.00 96 K 8.07 3.84 0.00 1.94 2.02 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.84 1.52 7.81 97 E 8.17 3.94 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 98 Q 8.54 4.02 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.37 0.00 0.00 0.00 0.00 0.00 2.42 2.80 0.00 99 F 8.41 4.64 0.00 2.80 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 0.00 100 P 0.00 4.53 0.00 2.11 2.19 0.00 3.31 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 101 D 7.95 4.52 0.00 2.71 2.79 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 0.00 102 I 7.46 4.67 2.19 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 1.12 0.00 0.00 103 S 8.08 3.78 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 7.91 4.33 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 105 E 7.64 4.06 0.00 2.47 2.34 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 2.40 2.39 0.00 106 S 8.08 4.71 0.00 3.56 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 0.00 107 D 8.24 4.72 0.00 2.54 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 0.00 108 S 7.81 4.13 0.00 3.51 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 0.00 109 P 0.00 4.16 0.00 1.42 2.03 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 110 F 7.83 5.33 0.00 3.26 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 0.00 111 V 8.81 3.60 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 0.00 0.00 -0.18 0.00 0.00 0.24 0.00 0.00 112 F 8.39 4.68 0.00 2.67 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 0.00 113 I 8.79 4.18 1.74 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 0.96 0.53 0.55 0.00 0.00 114 C 8.69 5.43 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.59 4.52 0.00 1.57 1.65 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.58 7.81 116 N 8.53 4.13 0.00 2.79 2.81 0.00 0.00 6.84 7.99 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 0.00 117 P 0.00 4.67 0.00 2.08 2.11 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 118 Q 8.70 4.56 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 119 E 8.82 4.81 0.00 2.12 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 2.20 2.30 0.00 120 M 8.75 4.42 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.75 0.00 121 V 8.31 3.76 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 0.74 0.00 0.00 1.00 0.00 0.00 122 V 7.59 4.42 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 1.00 0.00 0.00 1.12 0.00 0.00 123 K 8.21 4.25 0.00 1.56 1.67 0.00 1.69 0.00 0.00 2.33 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.16 7.81 124 F 7.60 5.20 0.00 2.95 2.78 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 0.00 125 P 0.00 5.36 0.00 2.12 2.15 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 126 I 8.31 4.86 2.31 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.93 1.10 0.00 0.00 127 K 8.67 4.48 0.00 1.48 1.57 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.37 7.81 128 G 8.17 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.16 4.87 0.00 2.48 2.52 0.00 0.00 5.19 6.92 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 0.00 130 P 0.00 4.72 0.00 2.27 2.25 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 131 K 7.52 4.05 0.00 1.48 1.19 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.18 7.81 132 I 7.75 4.64 1.69 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 1.63 0.84 0.72 0.00 0.00 133 W 8.66 5.54 0.00 3.63 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 0.00 134 K 9.18 3.27 0.00 1.13 1.51 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.91 0.28 7.81 135 L 7.30 3.95 0.00 1.35 1.35 0.50 0.55 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 0.00 136 D 8.51 4.47 0.00 2.70 2.47 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 0.00 0.00 0.00 0.00 137 S 8.78 3.95 0.00 3.87 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 0.00 138 K 7.92 3.85 0.00 1.70 1.69 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.40 7.81 139 I 7.43 3.20 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.82 0.00 0.00 140 H 8.18 3.71 0.00 2.90 3.38 0.00 5.79 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 0.00 141 Q 7.90 3.92 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.33 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 142 G 7.77 3.65 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 0.00 0.00 0.00 143 A 8.10 4.14 0.10 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 0.00 0.00 144 K 8.03 4.53 0.00 1.90 1.99 0.00 1.41 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.85 7.81 145 K 7.58 4.34 0.00 2.11 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.56 7.81 146 G 8.60 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 0.00 147 L 7.90 4.39 0.00 1.75 1.75 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 148 M 7.90 4.32 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 149 K 7.65 4.66 0.00 1.72 1.70 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.41 7.81 150 Q 8.18 4.64 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.10 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 151 N 8.41 4.65 0.00 2.79 2.84 0.00 0.00 5.97 7.10 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 0.00 152 K 8.44 4.05 0.00 1.88 1.98 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.43 7.81 153 A 8.12 4.08 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 0.00 154 V 8.13 3.79 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00