NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4032 8.3344 115.4105 58.2436 64.6132 172.8113 3 H 4.3040 8.3442 121.5885 54.3957 30.7285 173.7757 4 P 4.2818 0.0000 0.0000 65.9927 32.0411 177.7341 5 D 4.5607 8.3728 115.9240 55.7813 40.9178 177.7162 6 L 3.9861 8.0685 121.8365 58.2276 41.3726 178.5431 7 N 4.3588 7.9393 116.5907 56.2225 38.5550 177.4533 8 K 4.0360 8.0703 119.8466 59.2102 32.1667 178.8417 9 L 4.0579 8.0626 120.2163 58.4008 41.6325 178.7970 10 L 4.0037 7.5159 116.5806 58.1654 41.7178 179.1822 11 E 4.1824 7.6870 115.7627 59.4764 29.7625 179.1861 12 L 4.2751 8.1534 118.8207 56.8920 41.5996 178.8544 13 W 4.1828 8.3593 129.1588 60.2830 30.5768 176.0784 14 P 4.2594 0.0000 0.0000 66.4112 30.4647 177.9979 15 H 4.2135 8.1273 115.6023 58.6823 28.6560 177.6704 16 I 3.5631 7.5619 121.1632 64.3467 36.8142 178.0334 17 Q 3.8407 8.0686 120.6164 59.1635 28.8772 178.1312 18 E 3.9282 7.9811 119.1647 59.5649 29.4999 178.7659 19 Y 4.0042 7.9114 119.2684 60.7656 38.8345 177.8438 20 Q 3.7780 8.1493 120.4683 59.1155 29.0724 177.9503 21 D 4.2714 8.1376 120.2070 57.2255 40.7616 178.4988 22 L 3.8877 7.8031 120.6011 57.8497 42.0307 178.9271 23 A 3.8701 7.6010 120.8102 55.0365 18.3273 179.4929 24 L 3.9525 7.9201 117.6259 57.9255 41.4751 179.7149 25 K 3.9390 7.8382 118.2932 58.8132 31.9900 177.5020 26 H 4.8231 7.4222 113.2523 55.1244 29.3704 175.2045 27 G 3.7874 7.9990 107.8517 45.5647 0.0000 173.8793 28 I 4.2920 7.4617 120.4669 59.2250 37.8509 175.5981 29 N 4.3627 8.6864 124.1806 55.4875 38.6475 174.9721 30 D 4.6122 7.7145 117.2288 52.2016 42.8239 175.4314 31 I 3.6487 8.5959 121.9318 63.2273 37.6037 177.5671 32 F 4.9166 8.1101 118.4765 57.5865 39.0875 175.2913 33 Q 4.6417 7.6808 120.0474 54.8770 32.1523 175.1414 34 G 4.1100 9.5341 106.6743 46.9838 0.0000 173.0921 35 N 4.1858 8.3322 111.0998 53.8259 36.5927 176.9669 36 G 3.9564 8.3597 107.0910 48.4033 0.0000 176.4715 37 G 3.7668 7.8258 106.8396 46.8184 0.0000 175.5496 38 K 4.1743 7.7782 120.4364 59.0711 32.2925 178.6268 39 L 3.9455 8.2281 121.0846 58.1970 41.8510 178.7214 40 L 3.8582 7.6791 120.0634 58.2340 41.9562 178.9677 41 Q 3.9620 8.0900 117.3079 59.0701 28.7702 178.8385 42 V 3.4896 7.5491 119.0714 65.8817 31.4535 177.9784 43 L 3.8920 7.9704 118.5845 57.9757 41.3175 179.6206 44 L 3.9299 7.7293 117.3624 57.5919 41.5176 179.5686 45 I 3.7691 7.4569 119.3723 64.5820 37.1953 178.2614 46 T 4.0973 7.7597 108.7882 62.4587 68.9276 175.8651 47 G 3.8560 8.2453 109.2372 45.1052 0.0000 173.3282 48 L 4.4611 7.2397 118.6089 54.6705 42.8105 176.5072 49 T 4.6814 8.6710 116.3594 61.9738 72.6840 173.5320 50 V 4.3908 8.3352 118.6707 60.0601 32.5328 176.0352 51 L 4.4030 8.4202 125.7086 52.8711 42.8601 174.5161 52 P 4.2504 0.0000 0.0000 64.1182 31.8318 176.8105 53 G 3.8931 8.8799 109.0792 45.4961 0.0000 173.6831 54 R 4.1328 7.2838 115.3594 55.8080 30.0369 176.3135 55 E 4.3343 8.6136 119.1695 58.0440 31.1042 176.4790 56 G 3.8468 7.6771 110.2749 45.5245 0.0000 173.0547 57 N 4.7947 8.7407 123.2171 52.8984 38.5530 174.4699 58 D 4.7854 7.8474 117.9431 53.5101 40.4515 174.9331 59 A 5.0462 8.8434 121.6805 50.4952 23.5000 174.8583 60 V 5.7570 8.9812 110.8938 59.0804 36.5951 176.0181 61 D 5.1729 8.5284 122.1141 52.3069 42.0899 176.2938 62 N 4.2668 9.0074 114.4422 56.5608 38.5170 175.8488 63 A 4.2624 8.1641 118.0248 52.2836 19.2514 177.7783 64 G 3.9589 8.1624 104.6085 44.6846 0.0000 173.5217 65 Q 4.1552 8.4749 122.4236 55.8448 29.9654 175.3132 66 E 5.0219 8.6258 125.6237 56.5321 31.0103 175.4834 67 Y 4.9389 8.9935 118.7554 56.5339 43.1161 173.5561 68 E 4.5470 8.4963 123.3729 54.6147 31.4736 174.4169 69 L 4.9619 8.2108 126.6236 52.9750 43.6764 175.8937 70 K 4.8000 8.5165 122.7937 54.7453 35.8748 175.4197 71 S 5.6604 8.7638 116.8285 57.3531 67.2182 173.2580 72 I 4.5419 8.8108 121.0384 59.6214 42.0150 173.6236 73 N 5.3541 8.6750 127.3962 51.9523 38.4285 175.1310 74 I 4.5010 8.8888 119.9189 61.9379 38.0076 177.8327 75 D 4.4320 8.2206 120.2425 55.9212 41.2047 176.5117 76 L 4.5664 7.4244 118.1615 55.7673 43.9861 176.4071 77 T 4.6832 7.9072 110.7907 60.5870 70.7813 173.4235 78 K 4.6101 8.6201 122.2479 55.8528 33.9210 175.5648 79 G 4.4798 7.7695 106.9958 44.2603 0.0000 173.0647 80 F 4.6050 9.4369 124.7189 57.4088 40.0522 175.5952 81 S 4.4148 8.9792 119.5461 59.4891 63.2233 172.2883 82 T 4.5993 9.5239 108.9402 61.9708 71.4426 173.3463 83 H 4.8317 7.7936 117.1477 53.7837 33.7308 174.1161 84 H 4.2799 8.7882 125.4499 58.9382 30.5056 174.0350 85 H 5.2251 8.0182 114.5951 54.3189 28.2835 172.8296 86 M 4.1761 8.6962 121.0698 55.6288 33.9736 175.3771 87 N 4.3721 8.1314 121.2592 50.1698 40.5792 173.3483 88 P 3.9744 0.0000 0.0000 65.4538 30.8078 179.1874 89 V 3.4341 7.3166 116.0432 65.7596 31.9571 177.6867 90 I 3.4981 7.4064 119.0740 64.3598 36.9036 178.3332 91 I 3.4700 7.3935 120.3322 64.3881 37.1242 178.2636 92 A 3.9008 7.6791 121.0683 55.0824 17.8919 179.8622 93 K 3.8293 7.4923 115.8443 59.4399 32.1629 178.9385 94 Y 4.7305 7.2970 115.1875 61.2693 37.7881 178.1744 95 R 3.8814 7.5087 117.9382 59.4631 30.1034 177.4899 96 Q 4.4473 8.0772 112.4671 55.9667 29.3101 175.8073 97 V 4.4667 7.4536 111.9856 58.5359 34.3047 173.8376 98 P 4.8737 0.0000 0.0000 62.7446 33.0144 174.8290 99 W 5.1824 9.4638 120.6668 55.0881 32.6005 175.0203 100 I 4.9351 8.5514 123.9343 59.8448 39.3671 174.5008 101 F 5.2388 9.5238 127.0395 55.7173 41.1088 174.7131 102 A 5.3239 9.1095 126.0773 50.3334 21.6249 175.1697 103 I 4.9004 8.7293 122.9769 59.8404 39.7085 174.5680 104 Y 5.1185 9.1716 124.0321 56.4239 42.3930 175.0935 105 R 4.0443 9.0200 121.8628 56.0827 30.0885 176.8588 106 G 3.9580 9.9380 114.1654 44.9835 0.0000 171.4954 107 I 4.2345 8.2263 122.0569 60.2267 41.2713 175.0971 108 A 4.3746 7.9835 124.1329 51.0466 18.6583 176.5953 109 I 3.3690 8.4444 123.9763 61.0709 38.7866 174.6162 110 E 4.6383 8.6172 127.4486 57.5580 31.7659 175.2698 111 A 4.7581 7.5298 118.0420 51.3411 23.1169 175.1429 112 I 5.2003 8.1052 118.5978 60.0822 41.6097 174.2743 113 Y 5.1873 9.3340 123.3345 56.1671 42.2151 174.2748 114 R 5.2498 9.0212 122.6731 54.6906 32.7840 174.4983 115 L 5.2495 9.3036 126.1540 53.1327 45.0757 175.9924 116 E 4.7632 8.6985 122.0522 54.7287 31.7127 175.3488 117 P 4.3155 0.0000 0.0000 66.1443 31.1132 178.7792 118 K 3.9546 8.1102 116.3922 59.3826 32.1558 177.4025 119 D 4.6344 7.9654 116.2361 54.7675 41.4691 177.1817 120 L 4.3038 7.5861 119.2224 54.5172 42.9064 177.9030 121 E 3.8414 7.9580 118.7863 59.2901 29.4128 178.6551 122 F 3.9135 7.9968 120.1490 61.5162 39.2799 176.6881 123 Y 2.8966 7.2117 115.7998 60.5699 37.6655 177.5499 124 Y 4.2422 6.9821 117.1093 61.2710 38.0010 178.4326 125 D 4.3422 8.0474 119.7517 57.0535 40.8921 178.6655 126 K 3.6980 7.2468 119.6308 59.3230 32.1342 178.9327 127 W 4.5187 8.0207 119.4095 59.8730 29.0316 178.2184 128 E 4.0797 8.3961 119.1301 59.0836 29.1345 178.8658 129 R 4.1098 8.1564 118.9883 59.3377 30.2248 178.4829 130 K 4.0300 8.2570 119.5259 59.2202 32.2460 178.3478 131 W 4.2083 8.3623 128.7347 60.8137 30.4267 177.5672 132 Y 3.8774 7.9867 115.8164 61.3622 37.2051 178.3248 133 S 4.1839 7.8683 114.3870 61.7640 63.0001 175.7709 134 D 4.7615 7.9238 118.6235 53.7040 40.7162 176.5962 135 G 3.6093 8.1080 107.4149 46.8915 0.0000 173.3748 136 H 2.0000 7.2728 112.6832 55.6520 26.0492 175.1020 137 K 4.3758 7.3959 119.5888 54.7153 33.2734 175.4693 138 D 4.9633 8.7998 126.0311 55.1154 41.8118 175.8840 139 I 4.1489 8.6151 123.3246 60.5971 38.8885 174.9331 140 N 5.1212 8.8329 126.0053 51.6635 38.1618 174.0142 141 N 4.1302 8.2436 127.9623 53.6729 37.8319 172.4432 142 P 4.4991 0.0000 0.0000 63.0462 32.6906 177.6328 143 K 4.9366 8.6440 120.4602 55.1868 34.7770 175.8483 144 I 3.9083 8.2239 123.6904 58.6978 38.9619 173.8915 145 P 4.7369 0.0000 0.0000 62.6577 32.0717 177.9103 146 V 3.7895 8.6413 121.8185 66.0062 31.3950 178.5252 147 K 3.8724 8.0270 119.0697 59.4993 32.0218 177.9720 148 Y 3.9278 7.9904 119.4024 60.5265 38.7393 178.0010 149 V 3.2525 7.5267 118.8954 66.3151 31.3816 177.9571 150 M 2.8796 7.5460 116.9019 57.9296 31.7441 178.3931 151 E 3.9941 7.8017 117.8458 59.5493 29.8434 178.5214 152 H 4.3548 7.8871 114.9915 57.2090 29.1416 176.0907 153 G 3.9855 7.7898 109.2751 45.2183 0.0000 172.2961 154 T 4.6230 8.4898 115.7335 61.2526 70.4880 174.5425 155 K 3.9163 8.8064 129.1999 56.3215 32.4078 176.3214 156 I 4.4264 8.2352 119.8165 60.8097 38.9717 175.1375 157 Y 4.1886 7.4778 128.8315 58.3183 38.4767 173.6543 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 2 S 8.33 4.40 0.00 3.98 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 3 H 8.34 4.30 0.00 3.27 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.28 0.00 2.13 2.07 0.00 3.00 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 5 D 8.37 4.56 0.00 2.72 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 6 L 8.07 3.99 0.00 1.87 1.67 0.85 0.35 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 7 N 7.94 4.36 0.00 2.87 2.87 0.00 0.00 7.02 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 8 K 8.07 4.04 0.00 1.99 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 9 L 8.06 4.06 0.00 1.72 1.96 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.52 4.00 0.00 1.85 1.76 0.89 0.90 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 11 E 7.69 4.18 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 12 L 8.15 4.28 0.00 2.02 1.79 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.36 4.18 0.00 3.65 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 14 P 0.00 4.26 0.00 2.23 2.34 0.00 4.01 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 15 H 8.13 4.21 0.00 3.44 3.36 0.00 5.82 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 16 I 7.56 3.56 1.21 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 1.37 0.76 0.46 0.00 0.00 17 Q 8.07 3.84 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 18 E 7.98 3.93 0.00 2.29 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 0.00 2.33 2.46 0.00 19 Y 7.91 4.00 0.00 2.99 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 20 Q 8.15 3.78 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 21 D 8.14 4.27 0.00 2.87 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 22 L 7.80 3.89 0.00 1.69 1.57 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.60 3.87 1.14 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 0.00 0.00 24 L 7.92 3.95 0.00 1.94 1.68 0.97 0.57 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 25 K 7.84 3.94 0.00 1.70 1.98 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 1.38 7.81 26 H 7.42 4.82 0.00 3.08 3.22 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.00 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 28 I 7.46 4.29 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.82 0.00 0.00 29 N 8.69 4.36 0.00 2.69 2.87 0.00 0.00 6.84 8.05 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 30 D 7.71 4.61 0.00 2.62 2.50 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 31 I 8.60 3.65 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 0.72 0.00 0.00 32 F 8.11 4.92 0.00 3.29 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 33 Q 7.68 4.64 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.25 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 34 G 9.53 4.11 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 0.00 0.00 0.00 35 N 8.33 4.19 0.00 2.91 2.85 0.00 0.00 6.86 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 36 G 8.36 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 37 G 7.83 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 0.00 0.00 0.00 38 K 7.78 4.17 0.00 1.86 1.63 0.00 1.64 0.00 0.00 1.06 0.00 0.00 2.26 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.85 1.25 7.81 39 L 8.23 3.95 0.00 1.82 1.86 0.90 0.36 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 40 L 7.68 3.86 0.00 1.60 1.60 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.09 3.96 0.00 2.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 42 V 7.55 3.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 43 L 7.97 3.89 0.00 1.80 1.75 0.87 0.43 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 44 L 7.73 3.93 0.00 1.53 1.65 0.81 0.45 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 45 I 7.46 3.77 1.77 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.37 0.58 0.00 0.00 46 T 7.76 4.10 4.11 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 1.14 0.00 0.00 47 G 8.25 3.86 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 0.00 0.00 0.00 48 L 7.24 4.46 0.00 1.45 1.50 0.51 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.67 4.68 4.24 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 0.00 0.00 0.00 1.20 0.00 0.00 50 V 8.34 4.39 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 0.67 0.00 0.00 0.90 0.00 0.00 51 L 8.42 4.40 0.00 1.70 1.56 0.92 1.01 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 52 P 0.00 4.25 0.00 2.16 2.03 0.00 3.79 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 1.97 1.95 0.00 53 G 8.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.28 4.13 0.00 2.07 2.02 0.00 3.22 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 55 E 8.61 4.33 0.00 1.93 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 2.24 2.28 0.00 56 G 7.68 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 0.00 0.00 0.00 57 N 8.74 4.79 0.00 2.63 2.77 0.00 0.00 6.76 8.35 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 58 D 7.85 4.79 0.00 2.89 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 59 A 8.84 5.05 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 60 V 8.98 5.76 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 0.69 0.00 0.00 1.01 0.00 0.00 61 D 8.53 5.17 0.00 2.85 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 62 N 9.01 4.27 0.00 2.75 2.95 0.00 0.00 6.72 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 63 A 8.16 4.26 1.34 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 0.00 0.00 0.00 64 G 8.16 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 65 Q 8.47 4.16 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.76 0.00 0.00 0.00 0.00 0.00 2.10 1.79 0.00 66 E 8.63 5.02 0.00 1.84 1.83 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 2.30 2.27 0.00 67 Y 8.99 4.94 0.00 2.80 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 68 E 8.50 4.55 0.00 1.46 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 69 L 8.21 4.96 0.00 1.61 1.49 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.52 4.80 0.00 1.29 1.82 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.48 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.84 1.50 7.81 71 S 8.76 5.66 0.00 3.80 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 72 I 8.81 4.54 0.89 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.39 0.58 0.00 0.00 73 N 8.67 5.35 0.00 2.80 2.70 0.00 0.00 6.87 7.96 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 74 I 8.89 4.50 1.87 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 1.50 1.81 0.86 0.00 0.00 75 D 8.22 4.43 0.00 2.88 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 76 L 7.42 4.57 0.00 1.89 1.66 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.91 4.68 4.22 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 0.00 0.00 0.00 1.21 0.00 0.00 78 K 8.62 4.61 0.00 1.68 1.74 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.34 7.81 79 G 7.77 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.44 4.61 0.00 3.23 3.24 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 0.00 0.00 0.00 0.00 81 S 8.98 4.41 0.00 3.85 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 82 T 9.52 4.60 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 1.45 0.00 0.00 83 H 7.79 4.83 0.00 3.23 3.08 0.00 5.67 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 84 H 8.79 4.28 0.00 3.19 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.02 5.23 0.00 3.10 3.37 0.00 5.76 0.00 0.00 0.00 0.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.70 4.18 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.09 0.00 87 N 8.13 4.37 0.00 1.99 2.77 0.00 0.00 6.49 7.67 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 88 P 0.00 3.97 0.00 1.66 1.84 0.00 2.20 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 0.80 1.42 0.00 89 V 7.32 3.43 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 0.75 0.00 0.00 0.80 0.00 0.00 90 I 7.41 3.50 1.64 0.00 0.00 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 1.39 0.61 0.33 0.00 0.00 91 I 7.39 3.47 1.74 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.76 0.69 0.00 0.00 92 A 7.68 3.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.49 3.83 0.00 1.69 1.83 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.49 7.81 94 Y 7.30 4.73 0.00 3.07 3.32 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 95 R 7.51 3.88 0.00 1.77 2.02 0.00 3.09 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 96 Q 8.08 4.45 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 97 V 7.45 4.47 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 0.71 0.00 0.00 1.07 0.00 0.00 98 P 0.00 4.87 0.00 2.30 2.46 0.00 3.55 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 1.42 1.71 0.00 99 W 9.46 5.18 0.00 3.17 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 0.00 100 I 8.55 4.94 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.91 0.00 0.00 101 F 9.52 5.24 0.00 2.96 2.68 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 0.00 102 A 9.11 5.32 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 0.00 0.00 0.00 0.00 0.00 103 I 8.73 4.90 2.01 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 1.52 1.18 0.99 0.00 0.00 104 Y 9.17 5.12 0.00 3.12 2.85 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 0.00 105 R 9.02 4.04 0.00 1.77 1.90 0.00 3.63 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 106 G 9.94 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 0.00 107 I 8.23 4.23 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.93 0.00 0.00 108 A 7.98 4.37 1.34 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 0.00 0.00 0.00 109 I 8.44 3.37 1.65 0.00 0.00 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 1.12 -0.00 0.94 0.00 0.00 110 E 8.62 4.64 0.00 1.97 1.92 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 2.22 2.39 0.00 111 A 7.53 4.76 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 0.00 112 I 8.11 5.20 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 1.01 0.00 0.00 113 Y 9.33 5.19 0.00 3.03 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 0.00 114 R 9.02 5.25 0.00 1.99 1.88 0.00 3.19 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 115 L 9.30 5.25 0.00 1.95 1.62 0.96 0.75 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 0.00 116 E 8.70 4.76 0.00 1.93 1.91 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 2.42 2.33 0.00 117 P 0.00 4.32 0.00 2.22 2.46 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 118 K 8.11 3.95 0.00 1.76 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.50 7.81 119 D 7.97 4.63 0.00 2.81 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 0.00 120 L 7.59 4.30 0.00 1.17 0.47 0.21 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.96 3.84 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 2.51 2.37 0.00 122 F 8.00 3.91 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 0.00 123 Y 7.21 2.90 0.00 2.37 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 0.00 124 Y 6.98 4.24 0.00 2.99 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 0.00 125 D 8.05 4.34 0.00 2.47 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 0.00 126 K 7.25 3.70 0.00 1.15 1.34 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.26 7.81 127 W 8.02 4.52 0.00 3.50 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 0.00 128 E 8.40 4.08 0.00 2.35 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 2.69 2.31 0.00 129 R 8.16 4.11 0.00 2.24 2.08 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 130 K 8.26 4.03 0.00 2.01 1.96 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.52 7.81 131 W 8.36 4.21 0.00 3.49 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 0.00 132 Y 7.99 3.88 0.00 3.29 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 S 7.87 4.18 0.00 4.06 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 0.00 134 D 7.92 4.76 0.00 2.60 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 0.00 135 G 8.11 3.61 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 0.00 0.00 0.00 136 H 7.27 2.00 0.00 2.90 2.94 0.00 5.84 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.40 4.38 0.00 1.76 1.66 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 138 D 8.80 4.96 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.62 4.15 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.08 0.89 0.00 0.00 140 N 8.83 5.12 0.00 2.72 2.74 0.00 0.00 7.40 7.75 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 0.00 141 N 8.24 4.13 0.00 2.76 2.71 0.00 0.00 7.14 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 0.00 142 P 0.00 4.50 0.00 2.07 1.92 0.00 3.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.16 0.00 143 K 8.64 4.94 0.00 1.72 1.83 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.43 7.81 144 I 8.22 3.91 1.94 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 0.68 0.90 0.39 0.00 0.00 145 P 0.00 4.74 0.00 2.29 2.05 0.00 3.43 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 2.27 2.17 0.00 146 V 8.64 3.79 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.79 0.00 0.00 147 K 8.03 3.87 0.00 1.87 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 148 Y 7.99 3.93 0.00 3.10 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 0.00 149 V 7.53 3.25 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 0.53 0.00 0.00 -0.01 0.00 0.00 150 M 7.55 2.88 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.13 0.00 151 E 7.80 3.99 0.00 1.69 1.79 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 2.23 2.57 0.00 152 H 7.89 4.35 0.00 2.76 3.10 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.79 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 0.00 154 T 8.49 4.62 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 1.23 0.00 0.00 155 K 8.81 3.92 0.00 1.29 1.54 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 0.80 7.81 156 I 8.24 4.43 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 0.98 0.00 0.00 157 Y 7.48 4.19 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00