NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4212 8.3044 120.3287 54.5581 33.4574 174.5478 2 E 3.7376 8.4343 121.1710 55.3536 30.0896 174.7622 3 A 4.0051 8.7772 128.3835 52.8120 19.8999 176.9165 4 L 3.9498 8.5445 123.9521 57.9204 42.3831 178.1454 5 G 4.0685 9.4123 103.7148 44.6041 0.0000 172.3419 6 A 4.6139 7.2029 117.6916 50.9262 22.2100 176.0185 7 D 4.6944 9.0233 120.9873 53.6237 42.3939 175.8599 8 V 4.6302 8.4301 122.6473 61.4100 34.2504 175.0765 9 T 4.4720 7.7824 121.2157 61.6109 69.3329 174.1935 10 Q 3.9210 8.8080 125.5028 56.9070 28.9218 177.4780 11 G 4.0675 9.0463 109.7547 46.0698 0.0000 172.8753 12 L 5.0741 8.1906 120.2738 52.9034 46.1593 175.1252 13 E 5.0759 8.6528 119.4064 53.8947 34.4611 175.1468 14 K 4.1251 8.4989 122.4042 58.2095 32.4468 176.8241 15 G 4.0274 9.5905 116.1616 45.1913 0.0000 174.0825 16 S 4.2966 7.9199 115.9795 58.7841 64.1992 173.3304 17 L 5.2323 8.4303 122.8963 53.1430 43.3178 175.7050 18 I 4.6944 9.0385 117.4742 58.9069 41.7859 174.5862 19 T 4.3103 8.4126 119.3577 63.5359 69.6488 174.1337 20 C 4.7323 8.4598 127.0871 57.2820 31.5111 174.1888 21 A 4.5020 8.2824 134.8657 50.5770 16.0704 174.8271 22 D 5.0550 7.5431 118.9981 53.2758 42.1784 175.0192 23 N 5.0733 8.4092 114.1721 53.0403 37.5485 175.4677 24 T 4.0011 8.2361 110.4928 63.8520 69.7207 175.4365 25 G 3.9496 8.3101 108.5738 45.1071 0.0000 172.7580 26 A 4.6890 7.4511 123.3821 51.3092 20.1217 176.9459 27 R 4.4029 9.0847 122.5723 57.3002 32.3626 176.3301 28 E 5.0939 8.0164 118.7775 54.1963 33.0326 174.4326 29 L 5.2306 9.2241 126.1877 52.7720 45.3955 175.0693 30 K 4.9287 8.6314 123.9895 54.4025 34.6216 175.3114 31 V 3.9398 8.8842 128.6939 63.4391 31.9955 175.7304 32 I 4.3385 8.4753 128.1015 62.8380 39.0496 175.9844 33 S 4.6958 7.7686 115.1703 57.2338 68.0998 173.1220 34 V 4.6199 8.1861 121.1914 60.9977 33.6565 174.4959 35 H 4.2339 8.9477 128.4585 57.7699 30.0470 175.5293 36 G 3.8634 8.5248 113.2337 45.9589 0.0000 172.6126 37 Y 4.4178 7.6849 120.5685 56.4340 39.8140 174.8542 38 S 4.3054 7.1720 119.9358 56.7745 65.9004 172.9659 39 G 4.1446 7.9452 123.0350 45.2018 0.0000 173.7881 40 T 4.5087 8.1778 119.3459 59.7442 70.3167 172.2304 41 K 3.9055 8.4688 124.9072 58.2970 32.1444 176.7407 42 N 4.5014 8.9816 121.7810 53.4988 37.0932 174.3733 43 R 4.1206 7.8634 119.3225 55.5892 30.6383 175.7530 44 L 4.2439 8.4473 126.0816 53.4297 42.5187 174.9175 45 P 4.4446 0.0000 0.0000 63.1724 31.9805 175.2064 46 K 5.0465 7.7627 122.2756 55.0249 35.2841 175.1202 47 A 4.7483 9.1057 122.8691 50.8573 23.3488 175.6032 48 G 4.3898 9.0854 105.4961 44.7966 0.0000 171.4459 49 L 4.1275 8.2385 119.1737 56.8688 41.7818 178.1216 50 G 4.1608 8.8722 112.7195 45.2070 0.0000 173.3654 51 D 4.7195 7.9973 119.9228 53.9963 42.4507 175.3623 52 K 4.8723 8.6768 123.3287 55.4012 34.0290 175.2654 53 I 5.1268 8.6976 119.8204 59.5073 41.6436 174.2319 54 T 4.7833 8.8008 120.6279 63.0091 70.2816 174.1309 55 V 5.0339 9.4029 125.1274 61.4547 36.0873 173.6256 56 S 5.1569 8.6292 117.5522 56.3212 66.5147 173.3984 57 V 4.1914 8.4369 122.9286 63.0667 31.5286 176.4408 58 T 4.2323 8.6938 125.8698 65.2604 69.5713 175.8791 59 K 4.5449 8.9594 119.3256 53.7853 36.2390 177.6122 60 G 3.5601 8.3395 109.8730 45.5345 0.0000 172.1407 61 T 4.0623 7.8031 110.8372 60.8071 69.6017 173.3219 62 P 4.1972 0.0000 0.0000 66.3485 31.4451 178.5021 63 E 4.0921 8.1312 114.8113 59.4078 29.6311 178.8670 64 M 4.1664 7.6314 117.3391 57.0192 32.4796 176.9523 65 R 4.1271 7.5357 116.6124 57.9272 30.7599 177.5240 66 R 3.9677 8.9313 118.3045 56.8125 29.5473 176.9397 67 Q 4.1757 7.7674 117.9005 55.7929 30.1176 175.4547 68 V 4.6366 8.2965 122.9070 61.6434 32.6130 174.5292 69 L 4.9518 9.0049 127.5104 53.0043 46.4446 175.4527 70 E 4.9111 8.5168 118.3890 55.8239 31.8574 175.2761 71 A 5.0247 8.7138 122.9666 51.1369 23.8045 175.0560 72 V 4.5080 8.3391 118.1297 60.9758 34.9885 174.7110 73 V 4.1116 8.4354 128.2716 62.9716 31.7190 176.2283 74 V 4.1573 8.8252 127.9305 63.5194 33.8561 175.3243 75 R 4.0830 7.3911 117.5521 54.6341 34.8669 173.9100 76 Q 5.0613 8.1391 116.8408 55.7209 31.1177 175.4910 77 R 4.3282 9.1345 120.0907 58.2966 30.5309 177.7381 78 K 4.1855 7.8958 118.9929 55.5475 32.4282 175.3358 79 P 4.9442 0.0000 0.0000 63.0147 32.8347 174.9245 80 I 4.9314 8.6167 113.6817 59.3195 41.6805 173.8235 81 R 5.0250 9.0777 123.9440 54.8334 32.3083 175.1985 82 R 4.7333 8.6892 125.0926 54.1602 31.9480 175.7303 83 P 4.0591 0.0000 0.0000 66.0336 31.4168 177.0172 84 D 4.5815 8.0221 114.3406 53.3940 39.5600 176.2009 85 G 4.0839 8.7320 109.9726 45.9004 0.0000 174.7563 86 T 4.0497 7.5874 115.5508 63.8654 69.5054 173.9049 87 R 5.0702 8.4471 123.6542 55.0625 32.2856 175.8772 88 V 4.5604 8.7317 122.2013 61.0949 34.8531 174.3862 89 K 4.9715 8.1746 124.1628 55.8051 35.2663 174.9430 90 F 4.7303 8.9349 120.5740 55.6153 41.6256 176.5866 91 E 4.0898 9.0200 120.4397 59.0133 29.6709 175.1453 92 D 4.7601 7.7389 115.5667 52.6490 42.6906 173.6178 93 N 5.2573 8.7058 114.6628 51.8069 41.1030 174.1365 94 A 5.1825 8.7409 123.4364 50.7400 23.4208 174.6763 95 A 5.0694 8.9885 120.6617 50.3423 23.7582 175.1484 96 V 4.6010 8.4811 118.8906 60.7361 34.4998 175.1478 97 I 4.2567 8.5077 128.8767 61.7018 37.9953 175.3465 98 V 4.8478 8.5145 125.6206 61.4089 35.1190 174.9757 99 D 4.8860 8.1288 124.2908 51.8901 41.7401 176.6538 100 E 3.9404 8.7666 117.2946 59.2774 29.4055 177.4754 101 N 4.7347 9.2606 115.0734 52.5259 39.1682 174.8347 102 E 3.8150 8.3333 116.9430 57.2176 27.6298 173.5368 103 D 4.9012 8.2745 118.2283 50.9487 42.3402 174.3915 104 P 4.6632 0.0000 0.0000 63.1571 31.5523 176.5205 105 R 3.9004 8.4801 122.9624 58.8992 30.1881 176.9088 106 G 3.9662 7.7267 105.8181 45.1210 0.0000 172.8081 107 T 4.3536 8.8322 115.1007 64.2709 69.5617 175.5358 108 E 4.8152 8.0663 118.9677 54.4465 33.9303 174.7723 109 L 4.8499 8.5283 122.1813 53.3569 43.8460 175.8990 110 K 4.3909 8.6486 122.2286 55.9421 33.8007 177.4457 111 G 3.9574 9.0001 110.8361 43.9613 0.0000 170.5028 112 P 4.8943 0.0000 0.0000 62.7372 32.4343 175.7050 113 I 4.6746 8.4972 120.0564 59.2192 41.7001 174.7749 114 A 4.9066 8.1124 125.6426 51.6359 19.2678 179.0223 115 R 3.9270 9.2617 119.9817 59.7328 29.0232 179.2934 116 E 3.9980 8.2527 118.5650 59.2345 29.4215 179.3465 117 V 3.8150 7.9899 118.1294 65.5525 31.3239 177.9497 118 A 4.0276 7.8817 119.5775 55.2507 18.3736 178.7921 119 Q 4.0720 7.6812 115.0068 59.4729 28.9279 179.6295 120 R 3.9013 7.2882 115.6913 57.9430 31.1514 177.8498 121 F 4.7476 7.8357 122.0054 55.1038 38.9409 176.3932 122 G 3.6393 8.4702 112.6135 47.6339 0.0000 172.6225 123 S 3.9828 8.1536 116.4212 61.2617 61.7296 176.6921 124 V 3.6669 7.8053 121.0975 65.5372 31.2681 177.7489 125 A 4.2185 8.1947 120.9750 54.9204 18.1004 180.6694 126 S 4.6043 8.6733 111.7334 58.3563 63.4675 174.8973 127 A 4.5850 8.7360 123.9617 52.6363 21.5913 177.5380 128 A 4.2215 7.2485 119.4734 52.4646 19.0909 177.5964 129 T 4.2969 8.4956 118.0845 65.1513 69.7753 175.4464 130 M 4.8644 7.8151 119.9882 53.4055 35.8555 174.7819 131 I 4.9083 8.5421 123.4436 59.6327 40.3033 175.6331 132 V 4.0745 8.8887 127.1455 62.8790 31.6491 175.2687 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 M 8.30 4.42 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 E 8.43 3.74 0.00 1.94 1.76 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 2.24 2.33 0.00 3 A 8.78 4.01 1.25 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 0.00 0.00 0.00 4 L 8.54 3.95 0.00 1.63 1.71 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.41 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.20 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.02 4.69 0.00 2.60 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 8 V 8.43 4.63 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 0.84 0.00 0.00 0.97 0.00 0.00 9 T 7.78 4.47 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 1.22 0.00 0.00 10 Q 8.81 3.92 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 11 G 9.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.19 5.07 0.00 1.64 1.48 0.88 0.72 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 13 E 8.65 5.08 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 14 K 8.50 4.13 0.00 1.69 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 15 G 9.59 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 16 S 7.92 4.30 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 17 L 8.43 5.23 0.00 1.49 1.57 0.95 0.76 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 18 I 9.04 4.69 1.98 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 1.35 0.93 0.88 0.00 0.00 19 T 8.41 4.31 4.47 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 1.19 0.00 0.00 20 C 8.46 4.73 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 21 A 8.28 4.50 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 22 D 7.54 5.05 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.41 5.07 0.00 2.80 2.88 0.00 0.00 5.93 7.71 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 24 T 8.24 4.00 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 1.23 0.00 0.00 25 G 8.31 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 0.00 0.00 0.00 26 A 7.45 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.08 4.40 0.00 1.84 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.02 5.09 0.00 1.98 1.80 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 2.24 2.40 0.00 29 L 9.22 5.23 0.00 1.52 1.48 0.88 0.59 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 30 K 8.63 4.93 0.00 1.79 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.33 7.81 31 V 8.88 3.94 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.48 4.34 1.98 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 1.22 0.91 0.91 0.00 0.00 33 S 7.77 4.70 0.00 3.74 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.19 4.62 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 0.96 0.00 0.00 0.81 0.00 0.00 35 H 8.95 4.23 0.00 3.20 3.34 0.00 6.11 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 36 G 8.52 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 37 Y 7.68 4.42 0.00 2.96 3.02 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 0.00 38 S 7.17 4.31 0.00 3.66 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 40 T 8.18 4.51 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 41 K 8.47 3.91 0.00 1.75 1.74 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 N 8.98 4.50 0.00 2.95 3.01 0.00 0.00 7.07 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 43 R 7.86 4.12 0.00 1.82 2.05 0.00 3.37 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.45 4.24 0.00 1.68 1.60 0.98 1.15 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 45 P 0.00 4.44 0.00 2.06 2.36 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 46 K 7.76 5.05 0.00 1.69 1.69 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.98 1.11 7.81 47 A 9.11 4.75 1.10 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 48 G 9.09 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 49 L 8.24 4.13 0.00 1.70 1.72 1.06 0.95 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 50 G 8.87 4.16 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 0.00 0.00 0.00 51 D 8.00 4.72 0.00 2.76 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 52 K 8.68 4.87 0.00 1.91 1.70 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.73 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.40 1.48 7.81 53 I 8.70 5.13 1.95 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 1.17 0.96 0.88 0.00 0.00 54 T 8.80 4.78 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 1.26 0.00 0.00 55 V 9.40 5.03 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 1.06 0.00 0.00 0.89 0.00 0.00 56 S 8.63 5.16 0.00 3.90 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 57 V 8.44 4.19 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 0.93 0.00 0.00 0.95 0.00 0.00 58 T 8.69 4.23 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 1.31 0.00 0.00 59 K 8.96 4.54 0.00 1.71 1.63 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.34 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.80 4.06 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 1.25 0.00 0.00 62 P 0.00 4.20 0.00 2.03 2.18 0.00 3.68 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 2.03 2.21 0.00 63 E 8.13 4.09 0.00 1.93 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 2.31 2.34 0.00 64 M 7.63 4.17 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 65 R 7.54 4.13 0.00 1.89 1.90 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 66 R 8.93 3.97 0.00 1.92 2.07 0.00 3.16 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.77 4.18 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.30 4.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 69 L 9.00 4.95 0.00 1.52 1.48 0.90 0.66 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 70 E 8.52 4.91 0.00 2.07 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 2.32 2.28 0.00 71 A 8.71 5.02 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 0.00 0.00 0.00 0.00 0.00 72 V 8.34 4.51 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 0.53 0.00 0.00 -0.09 0.00 0.00 73 V 8.44 4.11 2.17 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 0.84 0.00 0.00 0.92 0.00 0.00 74 V 8.83 4.16 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 0.76 0.00 0.00 0.91 0.00 0.00 75 R 7.39 4.08 0.00 1.47 1.19 0.00 3.11 0.00 0.00 3.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.29 0.00 76 Q 8.14 5.06 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 77 R 9.13 4.33 0.00 1.85 2.06 0.00 3.14 0.00 0.00 3.02 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 78 K 7.90 4.19 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.55 7.81 79 P 0.00 4.94 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 80 I 8.62 4.93 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.35 1.00 0.00 0.00 81 R 9.08 5.03 0.00 1.85 1.81 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 82 R 8.69 4.73 0.00 1.82 1.82 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 83 P 0.00 4.06 0.00 2.03 2.16 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 84 D 8.02 4.58 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 85 G 8.73 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.59 4.05 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 1.19 0.00 0.00 87 R 8.45 5.07 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.73 4.56 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 0.72 0.00 0.00 0.89 0.00 0.00 89 K 8.17 4.97 0.00 1.94 1.70 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.41 7.81 90 F 8.93 4.73 0.00 3.30 3.04 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 0.00 0.00 0.00 91 E 9.02 4.09 0.00 1.98 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 2.32 2.27 0.00 92 D 7.74 4.76 0.00 2.68 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 93 N 8.71 5.26 0.00 2.62 2.71 0.00 0.00 6.49 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 94 A 8.74 5.18 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 0.00 0.00 0.00 0.00 0.00 95 A 8.99 5.07 1.15 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 0.00 0.00 96 V 8.48 4.60 1.96 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 0.91 0.00 0.00 0.86 0.00 0.00 97 I 8.51 4.26 1.83 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 1.07 0.63 0.89 0.00 0.00 98 V 8.51 4.85 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 0.70 0.00 0.00 0.81 0.00 0.00 99 D 8.13 4.89 0.00 2.96 2.80 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 0.00 100 E 8.77 3.94 0.00 1.98 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 2.32 2.34 0.00 101 N 9.26 4.73 0.00 2.88 2.84 0.00 0.00 7.07 7.54 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 0.00 102 E 8.33 3.82 0.00 2.27 2.30 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 2.28 2.34 0.00 103 D 8.27 4.90 0.00 2.91 2.57 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 0.00 104 P 0.00 4.66 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 105 R 8.48 3.90 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.73 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 0.00 107 T 8.83 4.35 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 1.21 0.00 0.00 108 E 8.07 4.82 0.00 1.85 1.77 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 2.28 2.30 0.00 109 L 8.53 4.85 0.00 1.51 1.56 0.98 0.88 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 0.00 110 K 8.65 4.39 0.00 1.61 1.71 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.35 7.81 111 G 9.00 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 0.00 112 P 0.00 4.89 0.00 2.30 2.16 0.00 3.77 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 2.19 2.14 0.00 113 I 8.50 4.67 1.89 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 1.10 0.81 0.91 0.00 0.00 114 A 8.11 4.91 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 0.00 115 R 9.26 3.93 0.00 2.05 2.26 0.00 2.81 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.25 4.00 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 117 V 7.99 3.81 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.04 0.00 0.00 118 A 7.88 4.03 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 0.00 119 Q 7.68 4.07 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 120 R 7.29 3.90 0.00 1.42 0.66 0.00 3.01 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 121 F 7.84 4.75 0.00 3.14 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 0.00 122 G 8.47 3.64 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 0.00 0.00 0.00 123 S 8.15 3.98 0.00 4.10 4.17 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 0.00 124 V 7.81 3.67 2.42 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 1.03 0.00 0.00 0.87 0.00 0.00 125 A 8.19 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.67 4.60 0.00 4.01 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 0.00 127 A 8.74 4.58 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 0.00 128 A 7.25 4.22 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 0.00 129 T 8.50 4.30 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 1.22 0.00 0.00 130 M 7.82 4.86 0.00 1.95 1.95 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 2.59 2.55 0.00 131 I 8.54 4.91 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.95 0.00 0.00 132 V 8.89 4.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00