NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4157 8.3044 120.3284 54.6884 33.4606 174.4620 2 E 3.8240 8.3328 121.1166 55.0641 30.2203 174.7295 3 A 4.0719 9.3202 129.3306 52.9124 19.9160 177.2527 4 L 4.0373 8.5390 121.7571 56.6553 42.0354 178.7110 5 G 3.9204 9.8873 104.1438 44.7287 0.0000 172.3116 6 A 4.6616 7.3750 116.9743 50.7974 22.2110 176.3709 7 D 4.6956 8.9993 121.7583 53.3969 42.3893 175.6960 8 V 4.5665 8.4362 123.6112 61.4764 33.6521 175.1288 9 T 4.4339 7.7958 121.8328 61.6585 69.1386 174.4566 10 Q 3.8777 8.8304 125.9876 56.7118 28.8596 177.6951 11 G 3.9121 8.8360 111.1337 45.5287 0.0000 172.7409 12 L 4.8163 8.0651 120.2253 52.8869 44.7805 175.0383 13 E 5.0134 8.3906 118.7202 53.8856 33.5149 175.3447 14 K 4.0163 8.2078 122.0039 58.2918 32.1956 176.9374 15 G 4.0800 8.8577 115.0540 45.1939 0.0000 173.9740 16 S 4.3071 8.3088 116.6977 58.6167 64.2496 173.3646 17 L 5.0866 8.4328 123.2270 53.3299 42.8719 175.7066 18 I 4.6544 8.8244 117.4778 58.9444 41.5920 174.6222 19 T 4.4000 8.6368 119.5989 63.3618 69.7884 174.1644 20 C 4.6950 8.4783 127.0689 57.8295 31.4117 173.6320 21 A 4.4770 8.4843 132.4326 49.4696 16.1561 175.2085 22 D 5.1418 7.4998 118.5966 53.5459 42.2079 176.3952 23 N 5.0230 8.5203 115.8784 52.9857 37.6233 176.0149 24 T 3.9050 7.8605 111.2677 64.1286 69.2697 175.0190 25 G 3.9476 8.3251 108.5878 45.1071 0.0000 172.7342 26 A 4.7406 7.4530 123.2982 51.1649 20.2669 176.7326 27 R 4.4353 8.9715 122.1757 57.0959 32.6095 176.1789 28 E 5.0765 8.0341 119.1157 54.2082 32.8060 174.5530 29 L 5.2409 9.0829 126.5141 52.7844 45.3279 175.0971 30 K 4.9880 8.7632 123.8287 54.3712 34.7455 175.4120 31 V 3.9377 8.7799 128.5440 63.4928 32.0960 175.5526 32 I 4.2540 8.4994 127.5170 62.7274 39.2079 175.8285 33 S 4.7080 7.7980 115.2048 57.1108 68.2148 173.0238 34 V 4.4873 8.2061 120.7568 61.0506 33.6805 174.1976 35 H 4.1416 8.7284 128.3885 58.1006 29.7962 175.1328 36 G 3.8692 8.7727 114.0542 45.8608 0.0000 171.9884 37 Y 4.4344 7.8908 120.5298 56.1976 39.7754 175.0271 38 S 4.2851 7.3405 120.0685 56.4519 65.4093 173.3542 39 G 4.0278 8.0502 127.0410 45.4899 0.0000 172.4798 40 T 4.5434 8.1934 117.0092 59.8459 70.4133 172.6942 41 K 3.9244 8.4728 125.8875 58.4936 32.3253 176.4722 42 N 4.7312 9.0350 122.6131 53.5659 37.4327 174.8894 43 R 4.0736 7.5549 118.0985 56.1703 30.6725 175.4481 44 H 4.5465 8.6870 122.8097 54.3849 29.6775 173.0772 45 P 4.4944 0.0000 0.0000 63.2255 31.8527 175.5134 46 K 4.7648 7.9773 123.9550 55.7820 34.3569 175.9823 47 A 4.6188 9.0163 123.6380 50.3900 22.9598 175.3529 48 G 4.3654 9.0951 107.5935 43.9362 0.0000 171.4412 49 L 4.1113 8.9438 121.9743 57.0425 42.1004 177.3874 50 G 4.0819 9.0847 113.9806 45.2736 0.0000 172.5445 51 D 4.9969 7.8479 119.4483 52.6457 43.5022 175.3395 52 K 4.7526 8.6205 123.4724 55.3470 33.7738 175.2660 53 I 5.0831 8.6704 120.6767 59.3399 41.3176 174.8607 54 T 4.5912 8.6770 120.5613 63.5666 70.0269 173.9962 55 V 5.0340 9.1095 123.4959 61.6726 35.7132 173.2522 56 S 5.2236 9.0362 120.1019 56.4770 66.3057 173.3318 57 V 4.3060 8.1764 122.3426 62.8475 31.6235 176.5881 58 T 4.0655 8.7497 125.8416 65.9182 68.9436 175.5866 59 K 4.5515 8.7335 119.1080 54.7631 36.3421 176.6249 60 G 3.7947 8.5063 108.4234 44.8564 0.0000 173.4809 61 T 4.1391 8.0935 111.6000 60.7252 69.6014 173.7571 62 P 4.2486 0.0000 0.0000 65.9366 31.3655 178.5842 63 E 4.1088 8.0296 116.0649 59.5897 29.6089 178.7076 64 M 4.1709 7.7562 117.3678 56.8575 32.3359 176.9729 65 R 3.8717 7.5422 118.3083 57.9427 30.5835 176.6944 66 R 3.9428 8.5682 120.8071 56.6532 29.1396 176.5505 67 Q 4.2509 7.6105 118.1689 55.5379 30.3125 175.4062 68 V 4.3612 8.3021 123.1241 61.7447 32.3884 174.5655 69 L 4.9580 8.9428 127.5883 53.0303 46.5062 175.4317 70 E 5.0224 8.5466 118.5508 55.4645 31.9235 175.1969 71 A 4.9508 8.8543 123.2632 50.7866 23.7739 174.9092 72 V 4.4745 8.3837 118.7381 60.8386 34.7249 174.8302 73 V 4.0007 8.5399 128.2209 63.0979 31.9006 176.2409 74 V 3.9084 8.8366 128.7763 64.3321 33.2726 175.8144 75 R 4.1903 7.4304 117.2296 54.2620 34.7541 174.2894 76 Q 4.9480 8.1990 117.9933 55.0449 31.6786 175.9410 77 R 4.2731 9.2763 120.4641 58.5527 30.4509 177.7522 78 K 4.2125 7.8815 118.8527 55.4581 31.9999 175.3610 79 P 4.8760 0.0000 0.0000 62.9907 32.8127 175.0600 80 I 4.8577 8.6144 114.9536 59.1761 41.2610 174.0343 81 R 4.9241 8.9563 125.1064 54.9979 31.6110 176.0485 82 R 4.6310 8.7128 125.6463 54.5013 31.3966 175.5964 83 P 4.1861 0.0000 0.0000 65.9112 31.3446 176.9704 84 D 4.6589 8.0832 115.1245 53.1468 39.5786 175.6016 85 G 4.3049 8.5417 112.0845 46.1902 0.0000 174.9913 86 T 3.9233 7.2336 114.2260 64.3055 69.4616 173.8995 87 R 5.0399 8.4657 123.3727 55.0964 32.5672 175.9289 88 V 4.4958 8.6029 120.8069 61.1203 34.8330 174.3802 89 K 5.0082 8.3703 125.3363 55.3324 36.2367 175.0858 90 F 4.8039 8.6789 119.4549 55.4867 41.8750 176.6216 91 E 4.0998 9.0548 120.8650 59.0370 29.6918 175.3453 92 D 4.7813 7.7254 115.4261 52.4706 42.8641 173.6022 93 N 5.2082 8.7636 114.9512 51.8497 40.7879 174.2010 94 A 5.2705 9.0827 124.8480 50.3243 23.3786 174.4438 95 A 4.9779 9.0066 120.4081 50.3204 23.4067 175.2507 96 V 4.5932 8.3131 120.1720 60.7951 34.2383 175.2073 97 I 4.2523 8.3204 129.2411 61.4965 38.0340 175.2929 98 V 4.8903 8.6430 125.9563 61.3654 35.2246 175.1895 99 D 4.8723 8.2253 124.4011 52.0215 41.7895 176.3870 100 E 3.9328 8.7749 118.2450 59.4787 29.7306 178.0024 101 N 4.7261 8.5557 114.3519 52.6304 38.5636 174.7726 102 E 3.8137 7.9993 115.6661 57.3810 27.7159 173.6384 103 D 5.2722 8.2294 117.8848 50.7999 42.6705 174.3779 104 P 4.6925 0.0000 0.0000 63.2860 31.6413 176.4603 105 R 3.9631 8.6318 121.8915 59.0833 30.3391 177.0436 106 G 3.9897 7.6810 105.1211 45.1482 0.0000 171.9850 107 T 4.4229 8.7035 114.3470 63.9328 70.4929 174.9881 108 E 4.7737 8.0428 119.5185 54.3877 33.3094 175.2419 109 L 4.8576 8.5814 123.3719 53.7553 43.3333 176.0406 110 K 4.4750 8.1554 121.4441 55.5935 34.3487 177.0510 111 G 3.9204 8.8240 114.1470 43.6714 0.0000 170.9664 112 P 4.8280 0.0000 0.0000 62.9907 32.6314 175.5911 113 I 4.6602 8.2313 118.6686 59.4461 41.8939 174.8616 114 A 4.9363 8.2074 127.9028 51.8228 19.0269 179.1223 115 R 3.9388 9.0155 119.2907 59.4309 29.2876 179.4291 116 E 3.9978 8.1902 119.0238 59.0911 29.4907 179.2542 117 V 3.6435 7.8074 117.6695 65.9119 31.5467 177.4796 118 A 4.0269 7.5214 119.2817 55.5309 18.2590 179.0501 119 Q 4.0242 7.8154 116.4304 59.2523 29.1687 178.2675 120 R 3.8928 7.6095 118.4424 57.9942 31.5757 176.9002 121 F 4.7712 8.4023 119.8558 54.7846 38.7433 175.8609 122 G 3.8013 8.4286 111.8392 47.9430 0.0000 172.4339 123 S 4.4677 8.0527 117.1868 60.2394 62.8733 176.5791 124 V 3.6273 7.7955 120.9555 65.5474 31.6919 177.3481 125 A 4.2049 8.1380 120.8609 54.8966 18.6816 180.5259 126 S 4.4908 8.5494 113.4139 57.4565 62.2808 175.3449 127 A 4.4951 7.5587 119.0683 53.6015 23.7241 176.7406 128 A 4.2968 8.4006 120.7411 51.6426 19.0627 177.9793 129 T 4.1012 8.6440 120.6422 66.1198 68.8334 174.9623 130 M 4.8570 7.8425 119.5213 53.5561 36.1793 175.0786 131 I 4.8289 8.3626 122.6391 59.5137 39.9770 175.4955 132 V 3.9403 8.7205 126.6487 62.8784 31.5373 175.5575 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 1.98 2.10 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 2 E 8.33 3.82 0.00 1.93 1.74 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 2.24 2.33 0.00 3 A 9.32 4.07 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 4.04 0.00 1.66 1.75 0.96 1.03 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 9.89 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 0.00 0.00 0.00 6 A 7.38 4.66 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 7 D 9.00 4.70 0.00 2.64 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 8 V 8.44 4.57 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 0.85 0.00 0.00 1.00 0.00 0.00 9 T 7.80 4.43 4.26 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 1.22 0.00 0.00 10 Q 8.83 3.88 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 11 G 8.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.07 4.82 0.00 1.75 1.51 0.88 0.73 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 13 E 8.39 5.01 0.00 1.99 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 2.21 2.21 0.00 14 K 8.21 4.02 0.00 1.73 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 15 G 8.86 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 16 S 8.31 4.31 0.00 3.86 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 5.09 0.00 1.50 1.72 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.82 4.65 1.99 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 1.33 1.17 0.88 0.00 0.00 19 T 8.64 4.40 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 1.19 0.00 0.00 20 C 8.48 4.70 0.00 2.97 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 8.48 4.48 1.30 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 0.00 0.00 0.00 22 D 7.50 5.14 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 23 N 8.52 5.02 0.00 2.79 2.90 0.00 0.00 5.94 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 7.86 3.90 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 1.24 0.00 0.00 25 G 8.33 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 4.74 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 8.97 4.44 0.00 1.75 1.95 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 1.56 1.54 0.00 28 E 8.03 5.08 0.00 1.99 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 0.00 2.24 2.41 0.00 29 L 9.08 5.24 0.00 1.53 1.49 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.76 4.99 0.00 1.76 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.78 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 0.90 0.00 0.00 0.94 0.00 0.00 32 I 8.50 4.25 1.86 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 1.22 0.92 0.91 0.00 0.00 33 S 7.80 4.71 0.00 3.74 3.73 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 34 V 8.21 4.49 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 0.97 0.00 0.00 0.81 0.00 0.00 35 H 8.73 4.14 0.00 3.19 3.43 0.00 6.07 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 8.77 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 37 Y 7.89 4.43 0.00 2.93 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 7.34 4.29 0.00 3.66 3.47 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 39 G 8.05 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 40 T 8.19 4.54 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 41 K 8.47 3.92 0.00 1.75 1.74 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.03 4.73 0.00 2.96 3.05 0.00 0.00 7.02 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 7.55 4.07 0.00 1.85 2.09 0.00 3.38 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 44 H 8.69 4.55 0.00 3.28 3.21 0.00 5.96 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 45 P 0.00 4.49 0.00 2.10 2.43 0.00 3.72 0.00 0.00 3.91 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 7.98 4.76 0.00 1.66 1.75 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.22 1.19 7.81 47 A 9.02 4.62 1.11 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 48 G 9.10 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 0.00 0.00 0.00 0.00 49 L 8.94 4.11 0.00 1.58 1.65 0.99 1.18 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 50 G 9.08 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 51 D 7.85 5.00 0.00 2.79 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 52 K 8.62 4.75 0.00 1.94 1.71 0.00 1.58 0.00 0.00 2.02 0.00 0.00 2.52 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.39 7.81 53 I 8.67 5.08 1.97 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 1.28 0.84 0.88 0.00 0.00 54 T 8.68 4.59 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 9.11 5.03 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 0.99 0.00 0.00 0.94 0.00 0.00 56 S 9.04 5.22 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.18 4.31 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 0.93 0.00 0.00 0.91 0.00 0.00 58 T 8.75 4.07 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 1.29 0.00 0.00 59 K 8.73 4.55 0.00 1.65 1.64 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.49 7.81 60 G 8.51 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 61 T 8.09 4.14 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 1.20 0.00 0.00 62 P 0.00 4.25 0.00 2.03 2.15 0.00 3.67 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 2.02 2.17 0.00 63 E 8.03 4.11 0.00 1.93 2.00 0.00 0.00 0.00 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 7.76 4.17 0.00 2.06 2.09 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 2.73 2.67 0.00 65 R 7.54 3.87 0.00 1.95 1.84 0.00 3.37 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 1.64 1.62 0.00 66 R 8.57 3.94 0.00 2.01 2.05 0.00 3.20 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.61 4.25 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 68 V 8.30 4.36 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 0.92 0.00 0.00 69 L 8.94 4.96 0.00 1.54 1.47 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.55 5.02 0.00 1.87 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 2.31 2.28 0.00 71 A 8.85 4.95 1.11 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 72 V 8.38 4.47 1.70 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 0.45 0.00 0.00 -0.16 0.00 0.00 73 V 8.54 4.00 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 0.86 0.00 0.00 0.91 0.00 0.00 74 V 8.84 3.91 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 0.74 0.00 0.00 0.90 0.00 0.00 75 R 7.43 4.19 0.00 1.44 1.06 0.00 3.10 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.25 0.00 76 Q 8.20 4.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 77 R 9.28 4.27 0.00 1.83 2.06 0.00 3.14 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 78 K 7.88 4.21 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.88 0.00 2.12 1.96 0.00 3.60 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 2.11 2.09 0.00 80 I 8.61 4.86 2.02 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 0.93 1.00 0.00 0.00 81 R 8.96 4.92 0.00 1.87 1.84 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 82 R 8.71 4.63 0.00 2.03 1.82 0.00 3.21 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 83 P 0.00 4.19 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 84 D 8.08 4.66 0.00 2.78 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 85 G 8.54 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 0.00 0.00 0.00 0.00 86 T 7.23 3.92 4.28 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 1.19 0.00 0.00 87 R 8.47 5.04 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.15 7.22 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 8.60 4.50 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 0.70 0.00 0.00 0.88 0.00 0.00 89 K 8.37 5.01 0.00 1.91 1.69 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.37 7.81 90 F 8.68 4.80 0.00 3.31 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 91 E 9.05 4.10 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 7.73 4.78 0.00 2.67 2.63 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 0.00 0.00 0.00 0.00 93 N 8.76 5.21 0.00 2.63 2.73 0.00 0.00 6.47 7.41 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 94 A 9.08 5.27 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 95 A 9.01 4.98 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 96 V 8.31 4.59 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 0.99 0.00 0.00 0.90 0.00 0.00 97 I 8.32 4.25 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 0.55 0.92 0.00 0.00 98 V 8.64 4.89 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 0.69 0.00 0.00 0.75 0.00 0.00 99 D 8.23 4.87 0.00 2.94 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 3.93 0.00 1.95 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 0.00 2.30 2.34 0.00 101 N 8.56 4.73 0.00 2.98 2.83 0.00 0.00 7.07 8.48 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 0.00 102 E 8.00 3.81 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 103 D 8.23 5.27 0.00 2.86 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 0.00 104 P 0.00 4.69 0.00 2.15 2.04 0.00 3.76 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 1.99 1.97 0.00 105 R 8.63 3.96 0.00 1.78 1.96 0.00 3.23 0.00 0.00 3.20 7.31 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 7.68 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 0.00 107 T 8.70 4.42 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 8.04 4.77 0.00 1.86 1.78 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 2.28 2.29 0.00 109 L 8.58 4.86 0.00 1.51 1.56 0.95 0.91 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 0.00 110 K 8.16 4.48 0.00 1.57 1.70 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.35 7.81 111 G 8.82 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 0.00 0.00 0.00 112 P 0.00 4.83 0.00 2.28 2.18 0.00 3.80 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 2.14 2.13 0.00 113 I 8.23 4.66 2.00 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 1.10 0.83 0.91 0.00 0.00 114 A 8.21 4.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 9.02 3.94 0.00 2.09 2.25 0.00 2.80 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.19 4.00 0.00 2.13 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 2.43 2.52 0.00 117 V 7.81 3.64 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 1.26 0.00 0.00 1.02 0.00 0.00 118 A 7.52 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 7.82 4.02 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 120 R 7.61 3.89 0.00 1.60 1.80 0.00 3.07 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 121 F 8.40 4.77 0.00 3.13 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 0.00 122 G 8.43 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 0.00 0.00 0.00 123 S 8.05 4.47 0.00 4.08 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 7.80 3.63 2.36 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 0.84 0.00 0.00 0.91 0.00 0.00 125 A 8.14 4.20 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.55 4.49 0.00 3.99 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 0.00 127 A 7.56 4.50 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 0.00 128 A 8.40 4.30 1.29 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 0.00 0.00 0.00 129 T 8.64 4.10 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 7.84 4.86 0.00 1.95 1.93 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 2.59 2.55 0.00 131 I 8.36 4.83 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 8.72 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 0.87 0.00 0.00 1.01 0.00 0.00