NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3841 8.3001 120.3484 55.5616 34.2477 174.6619 2 A 4.0794 7.4824 124.6807 51.9358 22.8780 174.7062 3 A 4.3410 8.9309 120.4018 51.9080 19.8065 174.4108 4 E 4.7910 8.6617 119.7203 57.3694 36.2153 176.1223 5 L 4.5970 7.5165 117.4630 54.2869 43.2270 175.0559 6 E 4.4521 8.7015 122.6192 56.1451 30.5576 174.9479 7 Y 4.7224 7.9714 117.9865 56.9364 42.0859 175.2971 8 E 4.2106 8.1635 122.4363 55.3266 28.0687 174.3916 9 S 5.0226 7.8863 115.8520 57.5753 65.4290 174.5458 10 V 3.7314 8.7236 122.3260 63.6388 31.4605 177.1687 11 L 3.5891 7.7194 116.5100 56.8404 38.5433 173.9472 12 C 4.4416 7.6447 116.2870 60.8980 29.5468 173.8177 13 V 4.7586 7.7594 114.6213 60.4687 36.3031 174.0234 14 K 4.2777 8.3689 117.6246 55.5548 34.7388 173.8140 15 P 4.2645 0.0000 0.0000 64.7311 31.5140 175.9844 16 D 4.8780 7.8434 117.5900 52.5297 42.3960 174.7924 17 V 4.4202 8.2770 122.6012 60.3524 35.3821 173.5872 18 S 5.0703 8.3721 117.5302 56.7683 66.5897 173.5916 19 V 4.6220 7.5886 121.5397 60.4262 34.8690 173.7827 20 Y 5.4058 9.4269 120.5877 55.7933 41.0857 174.5694 21 R 5.0740 8.7709 121.1025 54.9177 32.3335 174.9330 22 I 4.8780 8.5894 126.4793 58.3541 41.0516 173.2529 23 P 4.2307 0.0000 0.0000 62.7955 31.2169 175.7705 24 P 4.6922 0.0000 0.0000 62.7409 28.7086 175.2454 25 R 4.5786 7.2996 122.8362 55.2651 34.3449 175.0365 26 A 4.1454 8.0777 118.1548 52.3567 21.3437 176.3589 27 S 4.7556 8.5718 118.4158 58.2231 63.6612 174.1961 28 N 4.6355 7.3581 116.8643 53.3869 42.2345 172.6238 29 R 4.4102 8.8227 113.1510 58.4701 31.2955 176.6042 30 G 3.6619 7.9436 107.7891 44.6750 0.0000 172.9628 31 Y 4.5398 8.4533 126.3257 58.0693 40.8704 175.6726 32 R 4.7207 7.0816 113.0669 55.0676 32.5484 175.5518 33 A 4.4315 8.1866 124.9128 55.8131 18.9290 179.3179 34 S 4.2600 8.2972 111.5398 61.6218 62.8830 175.8159 35 D 4.7537 7.8474 118.6083 54.5745 41.8975 178.2439 36 W 4.1246 8.4040 128.9842 59.0136 31.1445 174.7030 37 K 3.2338 7.5387 122.9779 55.1505 32.6632 174.1984 38 L 3.8627 6.7255 118.7729 54.7671 44.1399 173.3423 39 D 4.7542 8.5569 123.6654 53.6635 42.6657 176.0809 40 Q 4.0918 7.5759 120.1355 57.4062 30.0467 173.8199 41 P 4.5780 0.0000 0.0000 63.3668 31.7599 174.1076 42 D 5.3087 8.2240 122.5618 53.4052 39.7754 175.2137 43 W 4.6330 7.8459 123.7109 57.1469 30.5078 176.1867 44 T 4.9306 8.2218 110.3668 59.7078 71.0973 174.2458 45 G 4.0368 8.0023 111.2349 46.0816 0.0000 170.9361 46 R 4.9514 7.4017 119.9983 54.7678 32.1549 176.4999 47 L 5.2872 8.5764 127.3863 53.5387 45.8402 175.1298 48 R 4.9986 8.8445 120.3878 55.4355 33.2740 173.5004 49 I 5.0857 9.0148 113.2092 59.8981 41.5901 173.9939 50 T 4.7858 8.0681 112.4879 61.2241 72.8271 172.5734 51 S 4.8693 8.3342 115.5363 56.5250 65.7482 174.8275 52 K 4.0540 8.6989 125.6673 58.2659 31.8711 176.8141 53 G 4.0557 7.5539 110.2414 46.1545 0.0000 174.5769 54 K 4.2493 8.1859 120.0545 56.6438 32.7109 175.9947 55 I 4.9366 7.4775 110.6270 59.3426 41.6936 173.5150 56 A 5.3062 8.6836 121.8361 51.1869 23.3316 174.7550 57 Y 5.1945 8.8311 116.2872 55.9239 41.9684 173.6433 58 I 4.7317 8.7386 116.6143 59.5610 39.8554 174.5276 59 K 5.2210 8.9001 126.2747 54.6218 34.8316 175.2492 60 L 4.9583 8.3320 122.8732 56.0798 44.0324 175.6876 61 E 4.6269 9.3314 126.4233 56.2676 32.3281 177.1050 62 D 4.6265 8.0382 111.2600 52.6279 44.9711 175.4015 63 K 3.7042 8.8811 127.9580 59.1159 32.5992 178.0497 64 V 3.8309 7.5518 117.9787 64.1328 31.8206 175.0465 65 S 4.5722 9.0763 116.1956 57.6564 69.0915 177.4590 66 G 3.7290 8.5479 108.4604 46.0572 0.0000 171.6325 67 E 4.5875 8.0332 126.6921 56.5011 35.3966 177.2895 68 L 3.7326 7.6087 122.0274 56.1582 42.6972 175.3358 69 F 3.8563 9.4833 123.4844 58.4285 40.4656 173.7593 70 A 4.8325 8.1661 127.3260 52.0943 23.2603 174.2327 71 Q 4.9100 8.3964 115.7602 55.8930 31.7585 174.0912 72 A 4.7524 9.3052 121.3112 49.1271 21.0811 173.5983 73 P 4.8785 0.0000 0.0000 63.9468 32.5218 176.4105 74 V 4.6946 9.1427 115.4115 59.5484 35.0359 176.2294 75 E 4.0557 8.7240 124.3370 56.1741 30.0386 176.0191 76 Q 3.6040 8.3231 118.3039 57.1306 26.9783 171.8638 77 Y 4.8285 7.7266 118.8091 58.5257 47.0137 174.3763 78 P 4.6780 0.0000 0.0000 62.2155 30.5922 177.6174 79 G 3.5938 8.0198 107.6407 47.1511 0.0000 172.4805 80 I 3.8075 8.1403 117.8148 61.2977 40.3251 172.3416 81 A 3.4657 8.7485 120.1770 52.1470 14.3728 176.1274 82 V 4.5719 7.2079 118.5344 61.0765 35.3466 173.6257 83 E 4.7262 8.4491 125.8538 56.2976 34.7652 173.0242 84 T 4.8733 8.1041 110.4759 60.7761 72.1082 174.1525 85 V 3.9646 7.9533 116.7854 61.6541 31.2681 176.9764 86 T 3.9113 8.7958 116.9051 64.3282 68.7219 175.4169 87 D 4.7085 8.0728 118.3676 53.1054 41.3514 172.1155 88 S 3.9861 8.0287 124.5142 58.1415 62.2549 169.3696 89 S 4.5886 8.1913 120.0800 57.3564 65.5787 173.5344 90 R 5.1532 8.0232 127.2315 56.5911 32.8026 172.8295 91 Y 5.0661 8.0445 114.4217 56.9260 40.8046 172.4746 92 F 4.4612 7.4825 112.6250 55.9597 41.5727 173.6192 93 V 4.6195 8.2706 111.7074 59.6534 35.8642 174.7276 94 I 4.5034 8.3555 122.3509 59.7669 41.8304 173.9125 95 R 5.1608 8.5579 125.5190 55.1362 34.9907 173.5161 96 I 4.7808 8.3078 119.3914 60.4407 42.3192 174.0431 97 Q 5.1483 8.3903 122.4317 55.4681 32.7650 172.9923 98 D 4.7204 9.4065 122.3603 54.3615 44.3843 176.4595 99 G 3.8948 8.9267 115.0063 45.2276 0.0000 172.6527 100 T 4.0400 8.3232 113.2415 64.9887 64.4175 171.3217 101 G 3.9686 7.5206 112.4836 45.1821 0.0000 173.4350 102 R 4.7154 7.5186 121.4510 54.4897 31.8410 175.3091 103 S 5.6966 8.8908 119.9910 56.3496 66.2594 172.9796 104 A 4.8764 8.7438 124.2892 50.1462 21.7165 174.6519 105 F 4.9795 8.8811 124.2839 56.3770 41.2368 174.6788 106 I 4.8698 7.8071 117.9490 59.5837 41.4948 173.8424 107 G 4.5952 8.7289 110.0900 44.7801 0.0000 172.5799 108 I 4.9867 8.4229 122.9116 59.3794 41.0671 175.0442 109 G 3.9106 8.3154 112.0671 46.4142 0.0000 171.4545 110 F 5.0639 8.4131 120.4335 56.7683 42.3728 174.6003 111 T 4.0319 7.9273 117.0634 63.8987 66.9590 173.2915 112 D 4.9574 8.0096 119.7591 52.5727 45.3970 176.5107 113 R 4.3013 8.8114 121.0203 58.9345 30.0882 179.3509 114 G 3.7616 8.2061 105.2725 48.1069 0.0000 175.2756 115 D 4.5353 8.1784 121.0234 57.0157 40.9508 178.5486 116 A 4.1273 7.8624 120.4151 54.8862 18.2369 179.5881 117 F 3.9765 8.2362 119.4944 61.6098 39.6915 176.9104 118 D 4.2478 8.0316 118.5717 57.4504 40.6351 178.8350 119 F 4.0048 8.0560 120.3341 61.3387 39.3070 176.6557 120 N 3.4828 7.8148 115.7866 56.4158 38.4421 177.9178 121 V 3.2825 7.4868 113.5789 63.9006 30.9602 178.8208 122 S 3.8306 7.4030 113.2687 61.1638 62.0859 175.9571 123 L 3.9452 6.9434 120.6001 58.9274 40.1966 179.1317 124 Q 3.9776 7.5643 118.7150 58.8442 28.4926 177.7565 125 D 4.3371 7.5719 117.5215 58.1632 41.1425 178.2506 126 H 4.5099 7.3855 114.7949 59.0773 28.8780 176.6234 127 F 3.9444 8.3744 122.6130 58.7320 39.2572 175.1195 128 K 3.7179 7.6453 118.9107 55.7158 34.4147 176.8085 129 W 4.9090 7.7721 120.9026 56.0554 29.7056 175.1285 130 V 4.5750 7.8785 123.1312 64.0852 36.4182 175.7697 131 K 4.2502 7.9864 118.2385 58.6260 31.6211 176.3476 132 Q 4.5166 7.4576 115.4546 55.1041 32.4243 174.1057 133 E 4.1462 8.6583 116.2229 57.1290 29.9418 176.2125 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 4.38 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 A 7.48 4.08 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 3 A 8.93 4.34 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 E 8.66 4.79 0.00 1.90 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 2.20 2.23 0.00 5 L 7.52 4.60 0.00 1.66 1.57 0.68 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.70 4.45 0.00 2.03 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 2.30 2.27 0.00 7 Y 7.97 4.72 0.00 2.80 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 8 E 8.16 4.21 0.00 1.78 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 2.22 2.30 0.00 9 S 7.89 5.02 0.00 4.07 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.72 3.73 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 0.99 0.00 0.00 0.99 0.00 0.00 11 L 7.72 3.59 0.00 1.85 1.82 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.64 4.44 0.00 2.83 2.83 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 0.00 0.00 0.00 13 V 7.76 4.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.94 0.00 0.00 14 K 8.37 4.28 0.00 2.05 1.89 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.35 7.81 15 P 0.00 4.26 0.00 2.24 2.19 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 16 D 7.84 4.88 0.00 2.64 2.83 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 0.00 0.00 0.00 17 V 8.28 4.42 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 0.59 0.00 0.00 0.17 0.00 0.00 18 S 8.37 5.07 0.00 3.68 3.39 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 19 V 7.59 4.62 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 0.73 0.00 0.00 20 Y 9.43 5.41 0.00 3.05 3.21 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 21 R 8.77 5.07 0.00 2.20 2.03 0.00 3.54 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 22 I 8.59 4.88 2.05 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.11 1.13 0.00 0.00 23 P 0.00 4.23 0.00 2.20 2.16 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 24 P 0.00 4.69 0.00 2.24 2.20 0.00 3.76 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 2.02 2.04 0.00 25 R 7.30 4.58 0.00 1.72 1.79 0.00 3.42 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 26 A 8.08 4.15 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 27 S 8.57 4.76 0.00 3.84 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 28 N 7.36 4.64 0.00 2.65 2.72 0.00 0.00 6.87 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 29 R 8.82 4.41 0.00 1.89 2.01 0.00 3.04 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 30 G 7.94 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.45 4.54 0.00 2.85 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 32 R 7.08 4.72 0.00 1.69 1.73 0.00 3.44 0.00 0.00 3.28 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 33 A 8.19 4.43 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 0.00 0.00 0.00 0.00 0.00 34 S 8.30 4.26 0.00 3.89 4.01 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 35 D 7.85 4.75 0.00 2.73 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 36 W 8.40 4.12 0.00 2.89 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.54 3.23 0.00 1.62 1.39 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.15 1.09 7.81 38 L 6.73 3.86 0.00 0.27 0.40 0.92 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.56 4.75 0.00 2.53 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 40 Q 7.58 4.09 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.26 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 41 P 0.00 4.58 0.00 2.54 2.38 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 42 D 8.22 5.31 0.00 2.03 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 0.00 0.00 0.00 43 W 7.85 4.63 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 44 T 8.22 4.93 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 1.06 0.00 0.00 45 G 8.00 4.04 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 0.00 0.00 0.00 46 R 7.40 4.95 0.00 1.98 1.85 0.00 3.19 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 47 L 8.58 5.29 0.00 1.79 1.53 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.84 5.00 0.00 2.15 1.99 0.00 2.78 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 49 I 9.01 5.09 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 1.25 0.83 0.91 0.00 0.00 50 T 8.07 4.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 51 S 8.33 4.87 0.00 4.21 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 52 K 8.70 4.05 0.00 1.88 2.05 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.88 7.81 53 G 7.55 4.06 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 0.00 0.00 0.00 54 K 8.19 4.25 0.00 1.80 1.91 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.39 7.81 55 I 7.48 4.94 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 1.03 0.00 0.00 56 A 8.68 5.31 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 57 Y 8.83 5.19 0.00 3.01 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 58 I 8.74 4.73 1.93 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 1.28 1.23 0.93 0.00 0.00 59 K 8.90 5.22 0.00 1.84 1.83 0.00 1.96 0.00 0.00 2.08 0.00 0.00 3.28 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.69 1.79 7.81 60 L 8.33 4.96 0.00 1.88 1.85 1.11 0.95 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 61 E 9.33 4.63 0.00 1.81 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 1.76 0.00 62 D 8.04 4.63 0.00 2.73 2.48 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 63 K 8.88 3.70 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 64 V 7.55 3.83 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 0.75 0.00 0.00 1.00 0.00 0.00 65 S 9.08 4.57 0.00 3.82 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 66 G 8.55 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 0.00 0.00 0.00 67 E 8.03 4.59 0.00 1.92 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 2.10 2.21 0.00 68 L 7.61 3.73 0.00 1.58 1.66 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.48 3.86 0.00 3.22 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 70 A 8.17 4.83 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 71 Q 8.40 4.91 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 72 A 9.31 4.75 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 73 P 0.00 4.88 0.00 2.15 2.13 0.00 3.78 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 2.04 2.04 0.00 74 V 9.14 4.69 2.14 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 1.03 0.00 0.00 1.06 0.00 0.00 75 E 8.72 4.06 0.00 2.31 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 2.34 2.36 0.00 76 Q 8.32 3.60 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 77 Y 7.73 4.83 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.68 0.00 2.36 2.18 0.00 3.97 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 79 G 8.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.81 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.33 0.90 0.00 0.00 81 A 8.75 3.47 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.21 4.57 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 0.81 0.00 0.00 0.80 0.00 0.00 83 E 8.45 4.73 0.00 1.83 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 2.39 0.00 84 T 8.10 4.87 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 1.18 0.00 0.00 85 V 7.95 3.96 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 1.26 0.00 0.00 1.04 0.00 0.00 86 T 8.80 3.91 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 87 D 8.07 4.71 0.00 2.71 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 88 S 8.03 3.99 0.00 4.12 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 89 S 8.19 4.59 0.00 4.03 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.02 5.15 0.00 1.83 1.99 0.00 3.39 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 91 Y 8.04 5.07 0.00 3.00 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 92 F 7.48 4.46 0.00 2.91 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 93 V 8.27 4.62 1.20 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 0.69 0.00 0.00 0.61 0.00 0.00 94 I 8.36 4.50 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.62 0.91 0.00 0.00 95 R 8.56 5.16 0.00 1.68 1.92 0.00 2.98 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 0.00 96 I 8.31 4.78 1.90 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 1.09 0.80 0.93 0.00 0.00 97 Q 8.39 5.15 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 98 D 9.41 4.72 0.00 2.69 2.48 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 99 G 8.93 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 0.00 100 T 8.32 4.04 4.20 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 1.23 0.00 0.00 101 G 7.52 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 0.00 102 R 7.52 4.72 0.00 1.88 1.82 0.00 3.26 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 103 S 8.89 5.70 0.00 3.83 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.74 4.88 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 0.00 105 F 8.88 4.98 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.81 4.87 2.04 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 1.15 1.08 1.08 0.00 0.00 107 G 8.73 4.60 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 0.00 0.00 0.00 108 I 8.42 4.99 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.23 0.89 0.00 0.00 109 G 8.32 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 0.00 110 F 8.41 5.06 0.00 3.04 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 0.00 111 T 7.93 4.03 4.09 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 1.07 0.00 0.00 112 D 8.01 4.96 0.00 2.82 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 0.00 113 R 8.81 4.30 0.00 1.93 2.03 0.00 3.26 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 114 G 8.21 3.76 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 0.00 0.00 0.00 115 D 8.18 4.54 0.00 2.85 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 0.00 116 A 7.86 4.13 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 0.00 0.00 0.00 0.00 0.00 117 F 8.24 3.98 0.00 3.21 3.34 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 0.00 118 D 8.03 4.25 0.00 2.85 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 0.00 119 F 8.06 4.00 0.00 2.99 2.90 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 0.00 0.00 0.00 0.00 120 N 7.81 3.48 0.00 2.63 2.45 0.00 0.00 6.12 6.41 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 0.00 121 V 7.49 3.28 1.65 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 -0.23 0.00 0.00 0.26 0.00 0.00 122 S 7.40 3.83 0.00 4.06 3.69 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 0.00 123 L 6.94 3.95 0.00 1.63 1.43 0.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.56 3.98 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 125 D 7.57 4.34 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.39 4.51 0.00 3.20 3.44 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.37 3.94 0.00 3.04 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 0.00 128 K 7.65 3.72 0.00 1.76 1.81 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.42 7.81 129 W 7.77 4.91 0.00 3.48 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 0.00 130 V 7.88 4.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00 131 K 7.99 4.25 0.00 1.85 1.90 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 132 Q 7.46 4.52 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 133 E 8.66 4.15 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00