NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3198 8.1476 120.3093 54.2761 32.3052 173.7964 1 P 4.0595 0.0000 0.0000 61.7654 31.9316 171.1572 2 V 3.6659 8.5095 119.2366 60.9644 32.8082 177.4075 3 D 4.6193 8.6267 125.6391 53.8951 40.5788 176.8940 4 F 4.6573 8.8218 120.8469 58.1337 39.1593 175.0718 5 N 4.5970 7.8758 118.9969 55.1844 39.0775 174.8426 6 G 3.9581 7.7907 110.9175 46.4436 0.0000 168.9798 7 Y 5.2527 7.7341 120.5912 55.5248 41.1790 174.3390 8 W 5.5579 9.1047 126.4651 54.7908 32.8898 174.6420 9 K 4.9734 9.0728 124.3864 55.3753 34.2567 175.7186 10 M 3.6019 8.0635 122.9960 55.6729 32.0903 175.8260 11 L 4.3718 8.6883 127.5379 56.9290 42.6029 177.4354 12 S 4.5268 7.5502 111.9773 56.7621 66.7046 172.6048 13 N 4.6668 8.6367 119.9927 51.7984 38.8360 174.1925 14 E 4.1317 9.2394 123.1467 56.5501 29.6894 177.7060 15 N 5.0744 7.5444 117.0348 53.0300 40.1361 176.7147 16 F 4.5940 8.4581 121.4156 61.0128 39.7911 174.8460 17 E 3.7925 8.6370 119.2693 59.6537 29.2997 178.7389 18 E 3.9694 8.1531 118.4641 59.0792 29.7851 177.6578 19 Y 4.1092 8.0782 119.7159 60.9172 38.8464 178.3147 20 L 3.7196 8.1016 119.7472 57.4887 41.6331 179.2266 21 R 3.7497 7.9210 118.4806 59.7074 29.7671 178.3793 22 A 4.0341 7.9156 118.7322 54.8400 18.2942 178.5858 23 L 4.1229 7.3524 115.1960 54.2031 41.8886 176.4077 24 D 4.3257 7.7801 117.4152 55.4958 38.5905 173.9442 25 V 4.2096 7.3263 117.4249 61.0786 33.5361 175.5801 26 N 4.5582 8.1667 122.6097 52.3391 39.4370 176.2112 27 V 3.4943 8.3128 121.1531 66.2666 31.5549 178.2195 28 A 3.9504 7.8771 119.7211 55.0278 18.2365 179.0535 29 L 3.4328 7.6957 118.2222 58.2464 42.1514 178.8017 30 R 3.6574 7.7559 117.8897 59.2972 30.1861 178.7350 31 K 3.8654 8.3181 119.1298 59.7024 32.1997 178.9321 32 I 3.7727 7.9395 119.7438 64.3706 36.8723 178.2196 33 A 4.0903 7.9567 120.6625 55.3648 18.2243 178.9777 34 N 4.6168 7.9899 114.4219 56.6684 39.0365 176.8566 35 L 4.1504 7.7223 119.7043 56.5531 42.1831 177.9484 36 L 4.2254 7.7314 118.2297 54.7928 42.1967 177.6819 37 K 4.3412 8.1824 122.6235 53.9971 31.6877 173.9267 38 P 4.7379 0.0000 0.0000 62.4656 33.4954 175.0750 39 D 5.4355 8.7820 119.8339 52.6277 43.2977 175.8593 40 K 4.4951 9.0946 123.7996 55.0397 33.7421 175.4343 41 E 4.7304 8.6816 128.0989 54.8868 31.0685 174.6653 42 I 4.5781 8.6069 129.4847 60.0767 39.1788 175.4238 43 V 4.0130 8.5522 128.6040 61.6449 32.2789 174.1481 44 Q 4.7944 8.6342 129.9236 54.3897 30.0328 175.0347 45 D 4.8823 8.9740 127.8262 52.0246 42.4654 176.9246 46 G 3.8667 9.6759 116.0596 46.1169 0.0000 172.1799 47 D 4.7042 9.2627 123.2967 55.8834 42.3329 177.4813 48 H 4.9191 8.2521 120.2344 55.8392 31.1488 173.8557 49 M 4.8642 8.8261 126.5084 53.7516 35.2749 174.1279 50 I 4.0016 8.2882 127.9901 59.8087 39.0119 175.3361 51 I 4.2668 8.5065 130.4063 60.2491 37.7473 175.6512 52 R 4.4775 8.8706 128.4266 55.3255 30.5012 175.7549 53 T 4.6615 8.3682 121.5273 62.5821 69.7676 173.8431 54 L 5.0911 9.0358 128.7103 53.1480 43.3767 175.9888 55 S 4.9589 9.0200 118.1194 56.7009 65.4650 174.1734 56 T 4.0285 8.8094 120.9088 66.9178 68.5008 176.2213 57 F 4.2180 8.2750 118.7075 59.7296 39.2412 175.3500 58 R 4.6371 7.6510 118.0392 54.8025 32.8746 174.0241 59 N 4.7420 8.7982 122.8522 53.4394 38.4065 174.3804 60 Y 4.0472 8.7367 125.8179 59.7775 39.1885 172.7645 61 I 3.1820 7.8588 132.8779 61.2983 33.7897 172.8828 62 M 4.7230 8.9120 126.4918 53.8773 32.8596 174.7289 63 D 4.9025 8.4623 124.3736 51.8049 40.8620 175.7806 64 F 4.5640 7.9396 117.4610 55.5598 41.8448 172.8596 65 Q 5.0289 8.4926 119.0249 54.1727 30.6939 175.2346 66 V 3.8670 8.7266 125.7492 64.6655 31.4407 174.2740 67 G 4.3231 9.4154 118.7867 45.8594 0.0000 174.1546 68 K 4.4296 7.9766 117.8185 55.3852 33.5167 176.3142 69 E 4.9871 8.7565 123.9714 54.6331 31.0679 174.9237 70 F 5.2443 8.9968 122.0644 54.6516 41.7693 173.8897 71 E 4.4069 8.7827 118.9982 55.4671 30.6103 177.0505 72 E 4.2551 8.1360 127.9144 55.4808 28.3828 177.9406 73 D 4.8549 7.6464 120.2233 51.8641 38.6853 174.8715 74 L 4.6540 7.5901 123.5379 53.8770 45.6144 177.9688 75 T 4.3877 8.4895 116.4116 60.0683 67.3301 173.2546 76 G 4.4095 7.1702 111.3897 47.8096 0.0000 173.4351 77 I 3.7086 7.7109 122.3542 62.4492 37.7528 176.7672 78 D 4.3164 7.6786 124.2540 53.3101 42.2236 174.5998 79 D 4.9428 8.5154 128.4117 53.0553 40.0069 174.6254 80 R 4.4382 8.0150 115.8414 54.5890 32.7720 176.5148 81 K 4.3227 8.6991 122.1800 56.6268 30.2758 174.3011 82 C 4.4766 7.9806 120.6217 58.8471 30.2699 172.7809 83 M 4.2546 9.0202 124.7037 55.2051 31.8385 174.5206 84 T 4.6004 8.7182 121.3250 62.1100 70.6407 173.8360 85 T 4.9654 8.5274 123.9961 61.6566 71.2993 173.4592 86 V 4.5300 8.2518 126.4490 60.9105 34.0014 174.3932 87 S 4.9600 8.9791 121.7825 56.2696 67.0684 173.0078 88 W 5.1283 8.7840 120.9341 55.7501 29.5249 177.0704 89 D 4.6303 9.3706 129.1148 52.9568 40.1286 177.4370 90 G 4.0532 8.4824 112.5402 46.2420 0.0000 172.3492 91 D 4.9120 8.8523 119.6158 55.5102 42.5777 176.8196 92 K 4.7517 7.9257 117.7065 55.3400 34.6225 176.1394 93 L 4.8521 9.3685 125.6627 54.0964 43.4708 175.1271 94 Q 4.8208 8.9298 127.0941 54.6561 30.6143 174.3901 95 C 4.7392 8.5585 125.3928 57.0106 34.1785 172.6229 96 V 4.3449 8.2002 125.5858 60.0365 33.5208 174.7417 97 Q 4.5211 8.7855 125.9544 54.1710 28.8871 174.8959 98 K 4.1867 8.4273 124.7530 54.9595 33.3414 175.6491 99 G 4.1234 8.2328 119.6513 46.2202 0.0000 174.6151 100 E 4.1303 9.2868 125.3897 57.3959 29.8829 176.1379 101 K 4.3771 7.7232 117.7666 54.9807 33.3705 176.3238 102 E 4.1049 9.3113 122.6091 56.9585 29.2335 176.8714 103 G 3.5361 8.6118 115.8072 46.3215 0.0000 171.9213 104 R 4.3099 7.9586 120.0672 55.1168 30.9728 175.5305 105 G 3.6710 8.2774 113.5051 46.3859 0.0000 170.6349 106 W 5.6089 7.4419 114.6364 55.8532 32.0544 173.6653 107 T 5.3400 9.4513 118.2860 62.0328 71.0220 172.8299 108 Q 5.1718 9.6778 128.2729 54.1149 32.1329 174.2662 109 W 5.8420 8.9211 121.9791 55.7728 32.5669 172.9892 110 I 4.8789 8.6577 120.0590 59.7531 39.3243 176.2713 111 E 4.5989 9.5260 127.4950 54.9605 30.8302 179.2229 112 G 4.0294 9.0806 117.4941 46.6032 0.0000 172.1871 113 D 4.7005 9.3193 125.4509 53.8059 40.9722 175.8191 114 E 5.3656 8.3953 120.7249 54.7064 32.9229 174.5679 115 L 4.5161 8.8241 126.3638 54.1266 43.7257 174.6627 116 H 4.5820 8.5488 124.3429 53.6423 31.0060 173.1577 117 L 4.8136 8.2841 125.6635 53.0924 44.8282 174.6726 118 E 5.0229 9.2103 126.4412 55.0678 31.8127 174.7377 119 M 5.1345 8.7840 125.1066 53.5852 34.5834 175.3070 120 R 5.4374 9.0575 122.5954 54.7803 33.7082 175.1532 121 A 4.7900 9.1459 122.2622 52.2830 23.2633 176.4958 122 E 3.8934 9.7813 121.9018 57.4705 27.1082 176.2779 123 G 4.1489 8.2092 109.5370 45.9409 0.0000 175.1009 124 V 3.8529 7.7150 120.5287 62.6521 31.9112 174.4333 125 T 5.0557 8.4605 124.2521 62.2872 69.8048 173.7869 126 C 4.4816 9.0089 128.0874 58.5086 33.5008 172.1356 127 K 4.8940 8.5155 124.4579 54.7446 34.5436 174.9108 128 Q 4.8137 8.8962 124.0840 53.9323 32.0798 174.4922 129 V 4.5732 7.9481 124.1432 61.0725 34.0052 174.4485 130 F 5.3632 9.1202 125.7407 55.5053 43.0984 173.8490 131 K 5.2409 9.2141 122.5226 54.3536 35.2029 175.0383 132 K 3.8740 9.0984 129.4552 56.8190 31.8510 176.3656 133 V 4.0809 8.6535 121.2553 62.6624 33.2523 175.8345 134 H 4.3652 7.9776 122.8609 56.0666 29.8184 173.8508 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 0 M 8.15 4.32 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 1 P 0.00 4.06 0.00 0.49 0.51 0.00 3.48 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 1.42 1.40 0.00 2 V 8.51 3.67 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 0.70 0.00 0.00 0.65 0.00 0.00 3 D 8.63 4.62 0.00 2.61 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 4 F 8.82 4.66 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 7.88 4.60 0.00 2.82 2.92 0.00 0.00 6.85 7.90 0.00 0.00 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 G 7.79 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 7 Y 7.73 5.25 0.00 3.00 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 8 W 9.10 5.56 0.00 3.13 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 9 K 9.07 4.97 0.00 1.92 2.16 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.29 7.81 10 M 8.06 3.60 0.00 1.65 1.15 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.03 0.00 11 L 8.69 4.37 0.00 1.53 1.63 0.92 0.69 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 12 S 7.55 4.53 0.00 3.78 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 13 N 8.64 4.67 0.00 2.65 2.86 0.00 0.00 7.38 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 14 E 9.24 4.13 0.00 1.95 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 2.33 2.28 0.00 15 N 7.54 5.07 0.00 2.79 2.90 0.00 0.00 6.98 8.07 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 16 F 8.46 4.59 0.00 2.94 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 17 E 8.64 3.79 0.00 2.23 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 2.44 2.47 0.00 18 E 8.15 3.97 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 19 Y 8.08 4.11 0.00 3.23 3.28 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 20 L 8.10 3.72 0.00 1.55 1.47 0.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.92 3.75 0.00 1.97 2.12 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 22 A 7.92 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 23 L 7.35 4.12 0.00 1.55 1.64 0.44 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.78 4.33 0.00 2.80 2.72 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 25 V 7.33 4.21 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 0.57 0.00 0.00 0.83 0.00 0.00 26 N 8.17 4.56 0.00 2.90 2.87 0.00 0.00 5.64 7.58 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 27 V 8.31 3.49 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 1.12 0.00 0.00 0.90 0.00 0.00 28 A 7.88 3.95 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 29 L 7.70 3.43 0.00 1.38 1.56 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.76 3.66 0.00 2.05 1.88 0.00 3.22 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 K 8.32 3.87 0.00 1.96 1.80 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.54 7.81 32 I 7.94 3.77 2.14 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 1.55 0.56 1.11 0.00 0.00 33 A 7.96 4.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.99 4.62 0.00 2.86 2.89 0.00 0.00 7.34 7.86 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 35 L 7.72 4.15 0.00 1.91 1.74 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.73 4.23 0.00 1.75 1.68 1.12 0.81 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 37 K 8.18 4.34 0.00 1.68 1.79 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.29 7.81 38 P 0.00 4.74 0.00 2.20 2.25 0.00 3.56 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 2.04 2.03 0.00 39 D 8.78 5.44 0.00 2.67 2.31 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 40 K 9.09 4.50 0.00 0.97 1.26 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.07 1.07 7.81 41 E 8.68 4.73 0.00 1.66 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 0.00 2.30 2.45 0.00 42 I 8.61 4.58 2.22 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.64 0.92 0.00 0.00 43 V 8.55 4.01 2.02 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 0.85 0.00 0.00 0.94 0.00 0.00 44 Q 8.63 4.79 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.23 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 45 D 8.97 4.88 0.00 2.57 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 46 G 9.68 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.26 4.70 0.00 2.99 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 48 H 8.25 4.92 0.00 3.20 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.83 4.86 0.00 1.21 1.70 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 50 I 8.29 4.00 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.83 0.00 0.00 51 I 8.51 4.27 1.93 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 1.00 0.69 0.62 0.00 0.00 52 R 8.87 4.48 0.00 1.81 1.88 0.00 3.29 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 53 T 8.37 4.66 4.36 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 1.23 0.00 0.00 54 L 9.04 5.09 0.00 1.64 1.64 0.90 0.55 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 55 S 9.02 4.96 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.81 4.03 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 1.12 0.00 0.00 57 F 8.28 4.22 0.00 3.09 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 58 R 7.65 4.64 0.00 1.85 1.91 0.00 3.37 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 59 N 8.80 4.74 0.00 2.82 2.83 0.00 0.00 7.04 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.74 4.05 0.00 2.93 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 61 I 7.86 3.18 1.87 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 1.43 0.57 0.91 0.00 0.00 62 M 8.91 4.72 0.00 2.54 2.40 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 3.04 0.00 63 D 8.46 4.90 0.00 2.57 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 64 F 7.94 4.56 0.00 2.72 1.73 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 65 Q 8.49 5.03 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 66 V 8.73 3.87 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 0.50 0.00 0.00 1.02 0.00 0.00 67 G 9.42 4.32 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 0.00 68 K 7.98 4.43 0.00 1.84 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.43 7.81 69 E 8.76 4.99 0.00 1.97 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 2.17 2.32 0.00 70 F 9.00 5.24 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 71 E 8.78 4.41 0.00 1.95 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 0.00 2.32 2.49 0.00 72 E 8.14 4.26 0.00 1.82 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 1.78 2.23 0.00 73 D 7.65 4.85 0.00 2.76 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 74 L 7.59 4.65 0.00 1.18 1.01 0.55 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 75 T 8.49 4.39 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 76 G 7.17 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 0.00 0.00 0.00 77 I 7.71 3.71 1.45 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.23 0.97 0.00 0.00 78 D 7.68 4.32 0.00 2.52 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 79 D 8.52 4.94 0.00 2.83 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 80 R 8.01 4.44 0.00 1.87 1.81 0.00 3.20 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 81 K 8.70 4.32 0.00 1.64 1.79 0.00 1.72 0.00 0.00 1.95 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 82 C 7.98 4.48 0.00 2.79 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 83 M 9.02 4.25 0.00 2.04 1.97 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 2.58 2.61 0.00 84 T 8.72 4.60 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 85 T 8.53 4.97 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 1.17 0.00 0.00 86 V 8.25 4.53 1.72 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 0.63 0.00 0.00 -0.06 0.00 0.00 87 S 8.98 4.96 0.00 3.86 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 88 W 8.78 5.13 0.00 3.22 3.08 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 89 D 9.37 4.63 0.00 2.73 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 90 G 8.48 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 91 D 8.85 4.91 0.00 2.83 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 92 K 7.93 4.75 0.00 1.79 1.95 0.00 1.40 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.49 1.35 7.81 93 L 9.37 4.85 0.00 1.88 1.93 -0.05 0.96 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 94 Q 8.93 4.82 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 95 C 8.56 4.74 0.00 1.23 1.18 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 96 V 8.20 4.34 1.97 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 0.57 0.00 0.00 0.85 0.00 0.00 97 Q 8.79 4.52 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.17 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 98 K 8.43 4.19 0.00 1.69 1.68 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.47 7.81 99 G 8.23 4.12 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 0.00 100 E 9.29 4.13 0.00 1.91 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 2.24 2.24 0.00 101 K 7.72 4.38 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.37 7.81 102 E 9.31 4.10 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.25 0.00 103 G 8.61 3.54 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 0.00 104 R 7.96 4.31 0.00 1.84 1.96 0.00 3.25 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 105 G 8.28 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 W 7.44 5.61 0.00 3.39 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 0.00 107 T 9.45 5.34 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 1.42 0.00 0.00 108 Q 9.68 5.17 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.55 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 109 W 8.92 5.84 0.00 3.48 3.36 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 0.00 110 I 8.66 4.88 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 1.26 0.00 0.00 111 E 9.53 4.60 0.00 2.02 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 0.00 2.39 2.48 0.00 112 G 9.08 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 0.00 113 D 9.32 4.70 0.00 2.95 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 0.00 114 E 8.40 5.37 0.00 2.23 1.94 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 2.43 2.33 0.00 115 L 8.82 4.52 0.00 0.27 0.95 0.28 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.55 4.58 0.00 1.40 1.60 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.28 4.81 0.00 1.31 1.35 0.30 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 118 E 9.21 5.02 0.00 2.17 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 0.00 2.36 2.57 0.00 119 M 8.78 5.13 0.00 1.57 1.06 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 120 R 9.06 5.44 0.00 1.86 1.97 0.00 3.21 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 121 A 9.15 4.79 1.08 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 0.00 122 E 9.78 3.89 0.00 2.11 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 2.17 2.32 0.00 123 G 8.21 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 0.00 0.00 0.00 0.00 124 V 7.72 3.85 2.29 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 1.20 0.00 0.00 1.01 0.00 0.00 125 T 8.46 5.06 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 1.26 0.00 0.00 126 C 9.01 4.48 0.00 3.03 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 0.00 0.00 0.00 127 K 8.52 4.89 0.00 1.78 1.70 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.45 7.81 128 Q 8.90 4.81 0.00 1.73 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 5.30 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 129 V 7.95 4.57 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 0.91 0.00 0.00 0.79 0.00 0.00 130 F 9.12 5.36 0.00 2.92 2.87 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 0.00 0.00 0.00 131 K 9.21 5.24 0.00 1.80 1.70 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.53 7.81 132 K 9.10 3.87 0.00 1.20 1.38 0.00 1.07 0.00 0.00 1.33 0.00 0.00 2.72 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.84 0.21 7.81 133 V 8.65 4.08 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 0.74 0.00 0.00 1.12 0.00 0.00 134 H 7.98 4.37 0.00 3.01 3.14 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00