NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2638 8.3001 120.3263 55.1925 33.2812 175.2527 2 A 4.0914 8.3633 126.6953 51.2235 17.6480 175.3488 3 G 4.0508 7.6988 105.3719 46.2766 0.0000 169.6561 4 S 4.4353 8.3445 121.3094 57.2473 62.2035 175.0643 5 G 3.8668 7.8982 120.1220 45.3535 0.0000 171.6621 6 I 4.0729 7.2719 122.2782 60.4302 36.9310 174.9026 7 I 3.9732 7.5626 124.5319 59.6472 36.3934 173.1175 8 Y 4.3334 7.9411 122.8191 55.7892 37.9589 174.1561 9 K 4.1405 7.8536 126.8358 54.8951 35.2209 175.3245 10 Q 4.2639 8.2478 126.0491 53.8879 29.0609 174.7775 11 P 4.5130 0.0000 0.0000 61.6503 30.6008 178.5129 12 I 4.3153 7.0549 121.4064 59.4369 36.9556 173.0551 13 Y 4.3663 6.7629 121.3427 55.5604 42.0452 174.4220 14 Q 3.7334 7.8352 125.3331 58.7964 28.8937 177.2068 15 G 4.2631 7.5430 106.2128 43.3373 0.0000 170.9081 16 N 4.5642 8.5572 121.8468 54.0061 39.6725 175.6932 17 L 4.1046 9.0318 117.0916 58.8709 41.9921 179.8810 18 I 3.3862 7.6435 119.3263 63.3238 37.1115 177.3574 19 K 4.6824 7.3802 118.2020 56.1216 32.8798 174.2935 20 Q 4.5510 7.2679 125.3964 56.5099 30.9545 175.0981 21 N 5.1835 7.6022 114.9070 52.4543 41.3944 172.8582 22 A 4.6973 7.6457 124.2850 52.7232 24.1171 179.1698 23 V 3.6370 7.4297 111.1337 65.7138 31.5669 177.8981 24 E 4.5316 8.3989 118.8962 59.5730 29.5125 178.4290 25 Q 4.0850 8.2513 117.9638 58.8513 29.1814 177.3002 26 L 4.0918 8.2116 120.6446 57.2224 40.8274 177.2108 27 Q 3.4949 7.9072 118.3646 56.7526 27.9899 173.6533 28 V 4.3203 8.4100 115.7367 61.5167 33.3852 176.2636 29 G 4.3442 8.6617 118.5272 44.6563 0.0000 171.1205 30 Q 4.4190 8.0622 119.7531 57.1102 31.2938 174.8398 31 S 4.9868 7.9349 110.4574 55.1920 65.7872 174.5964 32 K 3.1368 8.7153 127.5722 59.9633 32.3493 179.7503 33 Q 3.9002 7.8026 118.8407 58.5626 28.4836 178.4132 34 Q 3.9669 7.7388 118.9014 58.8536 28.8573 178.9336 35 V 3.6694 7.5169 119.1685 64.9932 31.3247 178.3333 36 S 4.1823 8.1686 113.8335 60.8796 61.9491 175.9375 37 A 3.9508 7.8770 122.6916 55.1294 18.1993 179.3103 38 L 4.0862 7.8765 116.4690 57.8776 41.7639 179.4434 39 L 4.1733 7.7268 118.0751 57.0291 43.0084 178.0856 40 G 4.2436 8.5745 106.8546 45.9291 0.0000 172.7275 41 T 4.1199 6.8956 113.3961 62.1890 72.5270 171.8424 42 P 4.3670 0.0000 0.0000 62.8131 32.4138 174.8808 43 S 4.3871 7.8365 111.8891 57.0670 64.2712 173.3936 44 I 4.2901 8.0682 118.7369 59.3158 37.7217 173.9017 45 P 4.5047 0.0000 0.0000 61.0159 30.2221 175.8998 46 D 4.6958 7.5945 118.6569 53.0840 42.2743 174.2405 47 P 4.4178 0.0000 0.0000 64.3278 31.1695 176.7509 48 F 4.3552 7.8272 122.0866 59.7025 40.0654 175.2052 49 H 4.7591 9.3715 123.2477 55.0762 30.6332 172.5210 50 A 4.3463 8.0857 123.9501 51.5832 17.8006 177.1329 51 Q 5.5880 8.4230 123.9823 55.0072 30.9441 176.1735 52 R 4.0037 8.5186 116.2452 57.5131 30.3031 177.1767 53 W 4.8577 9.0423 132.3273 56.3529 30.4418 173.8050 54 D 4.8628 7.7842 127.2165 51.8069 38.8227 173.9379 55 Y 4.8465 7.5035 117.9273 56.3507 43.4363 175.1930 56 T 4.5351 8.8090 119.5725 63.6382 67.9389 174.4752 57 S 4.8036 9.3525 123.1544 58.1641 65.1425 173.0809 58 T 5.1089 8.1884 114.8945 60.8813 70.1114 172.5282 59 Q 4.6497 8.9032 128.8307 53.5571 32.2288 175.7811 60 R 4.1417 8.4915 125.2605 56.3412 29.8476 178.0818 61 V 3.6989 7.7305 119.1786 65.2316 32.0509 176.1540 62 D 4.5258 7.9622 119.5897 54.2011 41.5562 175.5265 63 R 4.6065 8.3068 117.6962 55.7405 30.6364 176.0558 64 L 4.2331 8.7924 118.8492 56.7656 42.0185 177.2843 65 A 4.3820 7.7218 119.8162 52.7562 19.7410 177.2444 66 R 4.6762 8.3437 117.7400 55.9027 37.7400 175.0676 67 T 4.6848 7.5527 107.3172 60.3193 72.8999 173.5664 68 E 4.4908 9.1333 124.7776 55.8147 30.5192 175.1241 69 I 4.4087 7.7818 128.5896 60.1476 38.5215 176.6771 70 K 4.8023 9.2115 127.4235 54.8340 32.2306 174.4905 71 N 5.1174 8.4586 120.1247 52.1881 38.0713 171.8023 72 F 4.3675 8.2773 123.0618 56.1955 41.5782 174.5630 73 T 4.1326 8.0851 125.0881 62.2666 68.8364 173.9847 74 V 4.3681 7.7484 126.7126 59.4324 34.2249 174.6213 75 F 4.6221 8.8969 123.9734 55.9288 40.7853 174.9577 76 F 5.3334 8.5495 120.6522 56.0397 42.6160 174.6031 77 E 4.3706 9.2566 122.0391 57.5705 30.0784 176.0580 78 N 5.1721 7.7364 115.0562 53.7786 41.2775 175.4426 79 E 4.2580 8.1406 116.3905 58.2583 30.7660 176.8648 80 Q 4.3468 7.9445 117.1208 55.9727 29.2886 174.9470 81 V 4.7393 8.5214 121.3982 62.2931 32.6385 175.7070 82 V 4.1045 8.8461 128.8086 64.5798 31.7740 175.8397 83 R 4.7152 7.6381 115.2835 54.7409 32.6694 173.0834 84 W 5.2492 8.3209 117.4784 54.9995 31.4605 174.3277 85 E 4.2607 8.9253 123.2739 54.7541 31.5724 174.7043 86 G 4.2257 8.5590 113.3522 44.0695 0.0000 171.0944 87 D 5.1358 8.0205 130.3549 54.8659 41.5450 176.7572 88 Y 4.4494 8.5438 118.3864 56.8086 38.2128 173.3330 89 F 3.7149 8.5764 126.5999 57.5548 35.6258 173.8582 90 P 4.8949 0.0000 0.0000 61.1922 31.1571 179.6624 91 S 4.4161 8.0139 110.5241 59.0362 64.4779 174.3558 92 Q 4.2363 8.1664 129.8443 53.0948 27.1687 175.2699 93 D 4.4637 7.2491 116.8966 53.4200 40.1186 176.5333 94 E 4.1662 8.3812 124.3324 56.3051 28.1869 176.9992 95 Q 4.2977 7.8446 129.5780 54.3913 27.5981 174.9749 96 L 4.3846 7.1693 118.9787 53.1777 45.4642 175.1395 97 A 4.1481 8.3987 126.7935 52.3720 17.1244 176.6286 98 K 4.5446 8.0061 120.6480 55.4365 35.8027 177.3063 99 A 4.3132 8.4413 129.0416 50.2276 16.4758 176.2280 100 A 4.4308 7.2901 121.1138 50.1263 22.7417 176.5246 101 P 4.5738 0.0000 0.0000 61.8562 29.9840 177.1138 102 K 4.0300 7.4480 126.7669 55.7603 31.4148 176.5246 103 Q 4.2713 7.7609 125.1533 52.6428 27.7437 177.7064 104 F 4.6523 6.9787 108.0133 57.1318 38.9282 175.8061 105 G 3.7985 8.5898 122.7492 44.8208 0.0000 173.4754 106 R 4.4215 7.5443 116.5215 55.9618 31.3201 173.8909 107 N 4.9878 8.8921 126.9003 49.9571 37.0514 174.0045 108 L 4.9158 7.5990 117.7263 54.4272 44.8350 173.3782 109 A 3.9824 8.6775 129.4799 54.4142 18.6212 177.8703 110 R 4.6526 7.8504 112.9950 53.5614 33.4248 174.7437 111 D 4.6363 8.2326 118.9094 52.9522 41.0914 175.6276 112 K 4.1866 7.9289 114.7597 54.6994 31.7740 175.1511 113 K 4.5142 8.7047 121.9644 54.5935 33.9362 175.3132 114 K 4.5652 7.8869 123.7506 54.5029 35.2612 176.6852 115 Q 4.1284 8.3203 116.4801 55.0735 26.5916 174.0603 116 R 4.4844 7.7261 126.2915 56.2598 32.1703 173.5511 117 G 3.4061 8.1706 115.5744 48.3650 0.0000 173.0768 118 R 3.4760 7.4608 125.0748 55.3547 30.1252 176.6137 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 4.26 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 8.36 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 7.70 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 4 S 8.34 4.44 0.00 3.99 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 5 G 7.90 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 6 I 7.27 4.07 1.88 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 1.35 0.92 0.92 0.00 0.00 7 I 7.56 3.97 1.88 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 1.30 0.80 0.92 0.00 0.00 8 Y 7.94 4.33 0.00 2.93 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 9 K 7.85 4.14 0.00 1.63 1.53 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.36 7.81 10 Q 8.25 4.26 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 11 P 0.00 4.51 0.00 2.12 2.03 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 12 I 7.05 4.32 1.95 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 1.47 0.89 1.05 0.00 0.00 13 Y 6.76 4.37 0.00 2.74 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 14 Q 7.84 3.73 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.22 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 15 G 7.54 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 0.00 0.00 0.00 0.00 16 N 8.56 4.56 0.00 2.58 2.44 0.00 0.00 7.01 7.59 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 17 L 9.03 4.10 0.00 1.86 1.85 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.64 3.39 1.52 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 -0.18 0.00 0.00 19 K 7.38 4.68 0.00 2.05 2.17 0.00 1.71 0.00 0.00 2.29 0.00 0.00 3.16 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.39 1.57 7.81 20 Q 7.27 4.55 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 21 N 7.60 5.18 0.00 2.75 2.74 0.00 0.00 6.62 7.37 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 22 A 7.65 4.70 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 23 V 7.43 3.64 2.39 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 0.67 0.00 0.00 0.97 0.00 0.00 24 E 8.40 4.53 0.00 2.27 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 2.47 2.54 0.00 25 Q 8.25 4.09 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 26 L 8.21 4.09 0.00 1.90 1.89 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.91 3.49 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 28 V 8.41 4.32 2.22 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 1.05 0.00 0.00 1.04 0.00 0.00 29 G 8.66 4.34 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 0.00 30 Q 8.06 4.42 0.00 2.05 2.13 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 2.27 2.30 0.00 31 S 7.93 4.99 0.00 3.85 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 32 K 8.72 3.14 0.00 0.79 0.94 0.00 1.34 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.10 1.24 7.81 33 Q 7.80 3.90 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 34 Q 7.74 3.97 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 35 V 7.52 3.67 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 1.42 0.00 0.00 0.81 0.00 0.00 36 S 8.17 4.18 0.00 3.85 3.71 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 0.00 0.00 0.00 0.00 37 A 7.88 3.95 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 38 L 7.88 4.09 0.00 1.75 1.73 0.98 0.88 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 39 L 7.73 4.17 0.00 1.88 1.83 0.44 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.57 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 0.00 0.00 0.00 0.00 41 T 6.90 4.12 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 0.74 0.00 0.00 42 P 0.00 4.37 0.00 2.00 1.94 0.00 3.51 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 43 S 7.84 4.39 0.00 3.59 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 44 I 8.07 4.29 1.92 0.00 0.00 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 1.51 0.85 0.97 0.00 0.00 45 P 0.00 4.50 0.00 2.15 2.04 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 46 D 7.59 4.70 0.00 2.69 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 47 P 0.00 4.42 0.00 2.27 2.19 0.00 3.87 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 2.05 1.98 0.00 48 F 7.83 4.36 0.00 3.00 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 49 H 9.37 4.76 0.00 2.77 3.22 0.00 5.80 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 50 A 8.09 4.35 1.45 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 0.00 0.00 51 Q 8.42 5.59 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 52 R 8.52 4.00 0.00 1.13 1.53 0.00 3.06 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.00 53 W 9.04 4.86 0.00 3.75 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.78 4.86 0.00 2.17 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 0.00 0.00 0.00 0.00 55 Y 7.50 4.85 0.00 3.24 2.91 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 56 T 8.81 4.54 4.33 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 1.29 0.00 0.00 57 S 9.35 4.80 0.00 4.33 3.93 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 0.00 0.00 0.00 0.00 58 T 8.19 5.11 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 59 Q 8.90 4.65 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 60 R 8.49 4.14 0.00 1.96 2.00 0.00 3.09 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 61 V 7.73 3.70 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 0.90 0.00 0.00 62 D 7.96 4.53 0.00 2.68 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 63 R 8.31 4.61 0.00 1.92 1.95 0.00 3.14 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 64 L 8.79 4.23 0.00 1.76 1.76 0.95 0.66 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 65 A 7.72 4.38 1.32 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 66 R 8.34 4.68 0.00 1.74 1.69 0.00 3.26 0.00 0.00 3.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 67 T 7.55 4.68 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 E 9.13 4.49 0.00 2.14 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 0.00 2.65 2.61 0.00 69 I 7.78 4.41 1.30 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.39 0.83 0.00 0.00 70 K 9.21 4.80 0.00 2.02 2.09 0.00 1.85 0.00 0.00 1.98 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.66 7.81 71 N 8.46 5.12 0.00 2.79 2.79 0.00 0.00 6.59 8.15 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 72 F 8.28 4.37 0.00 2.59 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 0.00 0.00 0.00 0.00 73 T 8.09 4.13 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 0.93 0.00 0.00 74 V 7.75 4.37 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 0.00 0.00 0.28 0.00 0.00 0.67 0.00 0.00 75 F 8.90 4.62 0.00 2.88 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 76 F 8.55 5.33 0.00 3.16 2.91 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 77 E 9.26 4.37 0.00 2.04 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 0.00 2.33 2.32 0.00 78 N 7.74 5.17 0.00 2.68 2.74 0.00 0.00 7.44 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 79 E 8.14 4.26 0.00 2.05 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 0.00 2.33 2.22 0.00 80 Q 7.94 4.35 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 81 V 8.52 4.74 2.67 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 1.38 0.00 0.00 1.35 0.00 0.00 82 V 8.85 4.10 2.22 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 0.76 0.00 0.00 1.01 0.00 0.00 83 R 7.64 4.72 0.00 1.98 1.78 0.00 2.67 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 84 W 8.32 5.25 0.00 2.14 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 85 E 8.93 4.26 0.00 1.71 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 2.36 2.35 0.00 86 G 8.56 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 0.00 0.00 0.00 0.00 87 D 8.02 5.14 0.00 2.50 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.54 4.45 0.00 3.36 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 89 F 8.58 3.71 0.00 3.18 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 90 P 0.00 4.89 0.00 2.22 2.31 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 91 S 8.01 4.42 0.00 3.83 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 92 Q 8.17 4.24 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 93 D 7.25 4.46 0.00 2.70 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 94 E 8.38 4.17 0.00 2.09 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 2.24 2.33 0.00 95 Q 7.84 4.30 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 96 L 7.17 4.38 0.00 1.53 1.47 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.40 4.15 1.27 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 0.00 0.00 98 K 8.01 4.54 0.00 1.67 1.61 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.43 7.81 99 A 8.44 4.31 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 0.00 100 A 7.29 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.57 0.00 2.23 2.12 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 102 K 7.45 4.03 0.00 1.53 1.53 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.56 7.81 103 Q 7.76 4.27 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 104 F 6.98 4.65 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 0.00 106 R 7.54 4.42 0.00 1.79 1.91 0.00 3.50 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 107 N 8.89 4.99 0.00 2.88 2.90 0.00 0.00 6.49 7.92 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 0.00 108 L 7.60 4.92 0.00 1.70 1.57 1.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.68 3.98 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 0.00 110 R 7.85 4.65 0.00 1.82 1.77 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 111 D 8.23 4.64 0.00 2.76 2.67 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 0.00 112 K 7.93 4.19 0.00 1.16 0.75 0.00 1.33 0.00 0.00 1.41 0.00 0.00 2.59 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.65 7.81 113 K 8.70 4.51 0.00 1.57 1.75 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.28 7.81 114 K 7.89 4.57 0.00 1.77 1.65 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.28 7.81 115 Q 8.32 4.13 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 116 R 7.73 4.48 0.00 1.74 1.76 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 0.00 117 G 8.17 3.41 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 0.00 118 R 7.46 3.48 0.00 1.72 1.78 0.00 3.33 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00