NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4514 8.3049 120.3283 54.8411 33.4855 174.4587 2 E 3.9187 8.3158 119.0069 55.3537 30.0656 175.5902 3 A 4.0504 9.2733 126.5055 52.6888 19.7827 177.7850 4 L 4.0072 8.4810 122.3372 55.9156 41.9870 177.7345 5 G 3.7541 9.1377 105.1350 45.8457 0.0000 172.7194 6 A 4.5056 7.4595 116.1310 51.0047 21.8920 176.4969 7 D 4.7450 8.6116 121.7520 53.4303 42.5829 175.8195 8 V 4.6000 8.3907 122.3199 61.3921 34.4524 174.9576 9 T 4.4693 7.8071 121.6829 61.6987 69.2503 174.4477 10 Q 3.9246 8.8220 125.7709 56.7266 29.0223 177.3663 11 G 4.1173 8.9853 109.2141 45.8977 0.0000 172.5139 12 L 5.0922 8.0658 120.1181 52.8554 46.0589 175.0574 13 E 5.2378 8.9995 119.3637 54.0196 34.6608 175.1710 14 K 4.0265 8.3295 122.6443 58.1858 32.3783 176.9738 15 G 4.0182 9.0712 115.6375 45.1159 0.0000 173.9766 16 S 4.3350 8.1070 116.2391 58.6545 64.1822 173.1338 17 L 5.1811 8.3950 122.8512 53.1830 43.2682 175.8198 18 I 4.7629 8.9254 116.7468 59.0607 41.7777 174.6790 19 T 4.4082 8.5156 119.6793 63.7531 69.7267 173.9135 20 C 4.7520 8.6752 126.7025 57.2742 31.6886 174.1666 21 A 4.5418 8.3099 135.0000 50.3900 16.4143 174.6907 22 D 5.1268 7.7127 119.3499 53.4806 42.5437 175.1684 23 N 5.0297 8.3378 115.1809 52.8037 37.5749 175.8824 24 T 3.9673 8.3529 110.8832 63.9365 69.5297 175.3971 25 G 3.9538 8.4160 109.2366 44.9712 0.0000 172.4662 26 A 4.8086 7.3724 122.5406 50.8273 20.6350 176.6876 27 R 4.3828 8.9758 122.6192 57.5188 32.1343 176.1413 28 E 5.0699 8.0546 119.0940 54.1893 32.7760 174.3546 29 L 5.1689 9.1714 126.1178 52.7537 45.6040 175.1349 30 K 4.9475 8.7969 124.3971 54.3242 34.5597 175.4895 31 V 3.9734 8.7374 128.6166 63.4857 32.0278 176.1061 32 I 4.3754 8.4211 127.4246 62.8090 39.7330 175.8543 33 S 4.6545 7.7476 114.7569 57.5095 67.9276 173.6722 34 V 4.5811 8.1773 121.4959 61.0096 33.5143 174.5265 35 H 4.1646 9.2592 128.7388 57.9094 30.0775 174.7439 36 G 3.9119 8.4957 112.8920 46.3457 0.0000 172.1051 37 Y 4.7228 7.7128 119.3128 55.3910 40.5171 175.3575 38 S 4.3713 7.2284 119.6953 56.6976 66.8406 172.4774 39 G 4.1338 7.7494 116.2061 44.6916 0.0000 175.6455 40 T 4.3383 8.3952 118.1953 60.0078 69.7579 171.7189 41 K 3.8321 8.5428 125.3848 58.4321 32.1721 176.8093 42 N 4.5475 8.9995 121.8136 53.5482 37.2082 174.4137 43 R 4.1020 7.9604 119.3505 55.8528 30.6482 175.4892 44 H 4.5164 8.7289 123.3202 54.6211 29.4527 173.3320 45 P 4.5956 0.0000 0.0000 63.4732 31.7738 175.2291 46 K 5.0314 7.8509 121.8734 55.0935 35.3570 175.1896 47 A 4.6972 8.7456 122.7934 50.8667 23.2032 176.0693 48 G 4.1172 9.1029 108.3168 44.3440 0.0000 171.4067 49 L 4.1116 8.0853 119.1826 56.8694 41.8626 178.2345 50 G 4.1192 8.9804 111.4822 45.4501 0.0000 173.2195 51 D 4.8051 7.8487 119.8687 53.6165 42.9005 175.2960 52 K 4.8204 8.6736 123.1329 55.0812 33.8858 175.1245 53 I 4.9875 8.4466 120.8012 59.4088 41.1193 174.7335 54 T 4.8439 8.8366 120.4353 63.0381 70.3710 174.0762 55 V 5.0329 9.3128 124.4448 61.6596 36.0812 173.3778 56 S 5.1852 8.7548 117.1529 56.3494 66.6279 173.1916 57 V 4.2904 8.3394 122.6193 62.9647 31.8060 176.4575 58 T 4.2579 8.7716 125.2509 65.0207 69.6180 175.6022 59 K 4.5419 8.7087 118.8815 54.6377 36.5246 177.5600 60 G 3.5024 8.5755 109.2316 44.9252 0.0000 173.1803 61 T 3.9856 8.2732 112.5290 60.9550 70.2258 173.0348 62 P 4.1970 0.0000 0.0000 66.2334 31.5642 178.3563 63 E 4.0993 8.0946 114.9699 59.5370 29.4395 178.7721 64 M 4.1915 7.4084 116.6051 56.8715 32.7612 177.5258 65 R 4.0312 7.7205 118.1021 57.7699 30.7389 178.3182 66 R 4.0800 8.6217 118.3359 56.7892 29.7111 177.0336 67 Q 4.1507 7.6086 117.5123 55.8320 30.0694 175.5642 68 V 4.3728 8.3145 123.0427 61.7508 32.6700 174.2915 69 L 4.9391 8.8792 128.3605 52.9729 46.0585 174.8671 70 E 5.1064 8.4382 118.9269 55.2778 32.7549 174.3605 71 A 4.9617 8.4264 124.7090 51.2514 23.8072 175.0128 72 V 4.6221 8.1788 118.1872 60.9244 34.9049 174.7916 73 V 4.0395 8.4828 128.3554 63.1829 32.0067 176.2416 74 V 4.0646 9.0220 128.4171 63.8554 33.5123 175.4972 75 R 4.0799 7.4257 117.6845 54.5719 34.7049 174.0209 76 Q 4.9354 7.9787 118.4840 54.9998 31.6220 175.9319 77 R 4.4603 9.1571 120.3749 58.5883 30.4545 177.7413 78 K 4.2100 7.8763 118.7589 55.4858 31.6940 175.3344 79 P 4.9023 0.0000 0.0000 63.1657 32.7985 175.0060 80 I 4.9126 8.4782 113.6922 59.3749 41.6042 173.7421 81 R 4.9703 8.8875 124.6636 55.0520 31.9180 175.5111 82 R 4.7267 8.7949 125.3513 54.1536 32.0200 175.6913 83 P 4.0647 0.0000 0.0000 66.0874 31.3945 177.1007 84 D 4.5575 8.0274 114.1463 53.4237 39.4462 177.0424 85 G 4.0055 8.7453 110.0286 45.8131 0.0000 174.5174 86 T 4.1609 7.8051 116.1785 63.7280 69.6163 173.8241 87 R 5.1003 8.4249 122.7581 54.7318 32.9244 175.8255 88 V 4.5352 8.7944 121.7231 61.0157 34.7350 174.4444 89 K 5.0437 8.4046 125.3127 55.4519 35.8652 175.2798 90 F 4.7591 8.9704 120.2105 55.6302 41.6600 176.5893 91 E 4.0420 9.0099 120.5544 58.8473 29.6882 175.1858 92 D 4.7721 7.7619 115.7277 52.6704 42.8938 173.6037 93 N 5.2530 8.7233 114.8159 51.6953 41.0836 174.2068 94 A 5.2857 8.9721 124.2687 50.5268 23.3751 174.6235 95 A 4.9971 9.0665 120.7148 50.2194 23.6074 175.1757 96 V 4.5990 8.2898 119.1395 60.6672 34.4603 175.1570 97 I 4.3690 8.5570 129.1607 61.6055 37.8928 175.5530 98 V 4.9234 8.5194 126.1882 60.1373 34.8735 174.8130 99 D 5.0690 7.9031 121.0799 51.6957 41.8668 176.2273 100 E 3.9359 8.8922 117.1902 60.2284 29.3687 177.9776 101 N 4.5170 8.8148 113.3309 53.6643 38.9130 175.5526 102 E 3.8569 8.2622 116.9886 56.7663 27.4647 173.6933 103 D 5.0866 8.2281 118.5799 51.4033 41.0756 174.3002 104 P 4.4244 0.0000 0.0000 63.0689 31.5085 177.4052 105 R 3.9869 8.7674 123.2505 58.5226 30.2271 176.4443 106 G 4.0529 7.1282 106.5345 44.6531 0.0000 172.7031 107 T 4.4322 8.5684 113.6030 63.8689 70.3026 174.9378 108 E 4.8124 8.8548 120.0403 54.3944 33.9898 174.6577 109 L 4.9982 8.5010 122.4540 53.1473 43.6466 175.9363 110 K 4.2789 8.5111 123.9273 56.2861 33.1387 178.1156 111 G 4.0174 8.9551 110.0541 44.2115 0.0000 170.6373 112 P 4.8570 0.0000 0.0000 62.9644 32.4469 175.5749 113 I 4.7919 8.4012 118.8348 59.3781 42.0436 174.7068 114 A 4.6806 8.2347 126.5580 51.6531 18.9901 178.8143 115 R 3.8887 9.1138 119.7518 59.8445 29.3061 178.9984 116 E 3.9360 8.2945 118.3127 59.0365 29.4124 179.1567 117 V 3.7423 8.0103 117.7807 65.0867 31.5171 178.0156 118 A 4.0240 8.1879 121.3697 55.3094 18.1306 179.2222 119 Q 4.0768 7.3284 111.6896 57.3594 28.6417 177.0749 120 R 4.0742 7.7550 117.6816 57.0282 32.6636 176.0961 121 F 4.8766 7.7137 118.7858 54.4731 39.0641 175.7957 122 G 3.8168 8.4896 111.5528 48.0833 0.0000 172.3240 123 S 4.3179 8.1169 118.0565 60.0820 62.6529 176.7065 124 V 3.5863 7.8408 121.2281 65.6869 31.4156 177.7226 125 A 4.0956 8.1628 120.8504 55.1112 18.0798 179.6378 126 S 4.4161 8.7033 109.1964 59.0656 62.5280 174.8887 127 A 4.6665 7.5290 121.9321 51.7916 20.0054 176.9334 128 A 4.3083 8.2380 120.0083 52.3607 19.3635 178.2281 129 T 4.2290 8.5255 117.9773 65.8461 69.5479 175.2274 130 M 4.8511 7.8253 119.9051 53.4261 35.6771 174.5927 131 I 4.7245 8.3942 123.0159 59.5927 40.1327 175.5829 132 V 3.9652 8.6152 126.7022 62.9056 30.9905 175.6713 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 4.45 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 E 8.32 3.92 0.00 1.94 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 2.27 2.33 0.00 3 A 9.27 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.48 4.01 0.00 1.65 1.74 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.14 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 0.00 0.00 0.00 6 A 7.46 4.51 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 7 D 8.61 4.75 0.00 2.63 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 8 V 8.39 4.60 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 0.84 0.00 0.00 0.95 0.00 0.00 9 T 7.81 4.47 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 8.82 3.92 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 11 G 8.99 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 12 L 8.07 5.09 0.00 1.70 1.49 0.88 0.90 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 9.00 5.24 0.00 1.84 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 2.22 2.23 0.00 14 K 8.33 4.03 0.00 1.73 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 15 G 9.07 4.02 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 0.00 0.00 0.00 16 S 8.11 4.33 0.00 3.81 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 8.39 5.18 0.00 1.50 1.57 0.95 0.75 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 8.93 4.76 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.88 0.00 0.00 19 T 8.52 4.41 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 1.20 0.00 0.00 20 C 8.68 4.75 0.00 3.00 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 21 A 8.31 4.54 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 22 D 7.71 5.13 0.00 2.80 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 8.34 5.03 0.00 2.81 2.90 0.00 0.00 5.98 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 8.35 3.97 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 1.30 0.00 0.00 25 G 8.42 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 7.37 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.98 4.38 0.00 1.74 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 8.05 5.07 0.00 2.00 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 2.24 2.28 0.00 29 L 9.17 5.17 0.00 1.52 1.48 0.88 0.61 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 30 K 8.80 4.95 0.00 1.77 1.63 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.74 3.97 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 0.69 0.00 0.00 0.94 0.00 0.00 32 I 8.42 4.38 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 0.95 0.91 0.00 0.00 33 S 7.75 4.65 0.00 3.75 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 8.18 4.58 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 0.98 0.00 0.00 0.81 0.00 0.00 35 H 9.26 4.16 0.00 3.15 3.38 0.00 6.15 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 8.50 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 37 Y 7.71 4.72 0.00 2.93 3.03 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 38 S 7.23 4.37 0.00 3.79 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 39 G 7.75 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.34 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 8.54 3.83 0.00 1.75 1.75 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.00 4.55 0.00 2.95 3.02 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 7.96 4.10 0.00 1.80 2.07 0.00 3.37 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 44 H 8.73 4.52 0.00 3.32 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.96 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 4.60 0.00 2.12 2.43 0.00 3.70 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 46 K 7.85 5.03 0.00 1.64 1.72 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.07 1.14 7.81 47 A 8.75 4.70 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 48 G 9.10 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 49 L 8.09 4.11 0.00 1.67 1.67 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.98 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 51 D 7.85 4.81 0.00 2.78 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 8.67 4.82 0.00 1.88 1.70 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.47 7.81 53 I 8.45 4.99 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.88 0.00 0.00 54 T 8.84 4.84 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 1.27 0.00 0.00 55 V 9.31 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 1.11 0.00 0.00 0.94 0.00 0.00 56 S 8.75 5.19 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.34 4.29 2.24 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 0.94 0.00 0.00 0.91 0.00 0.00 58 T 8.77 4.26 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 1.33 0.00 0.00 59 K 8.71 4.54 0.00 1.72 1.63 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.58 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.99 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 1.24 0.00 0.00 62 P 0.00 4.20 0.00 2.03 2.19 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 2.04 2.21 0.00 63 E 8.09 4.10 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 7.41 4.19 0.00 2.02 2.22 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 2.71 0.00 65 R 7.72 4.03 0.00 2.01 1.86 0.00 3.22 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 66 R 8.62 4.08 0.00 1.98 2.10 0.00 3.16 0.00 0.00 3.22 7.32 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 4.15 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 68 V 8.31 4.37 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.88 4.94 0.00 1.54 1.51 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.44 5.11 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 71 A 8.43 4.96 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 72 V 8.18 4.62 1.69 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 0.73 0.00 0.00 -0.29 0.00 0.00 73 V 8.48 4.04 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 0.83 0.00 0.00 0.88 0.00 0.00 74 V 9.02 4.06 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 0.80 0.00 0.00 0.94 0.00 0.00 75 R 7.43 4.08 0.00 1.49 1.26 0.00 3.22 0.00 0.00 3.60 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 76 Q 7.98 4.94 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 77 R 9.16 4.46 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.03 7.12 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 7.88 4.21 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.90 0.00 2.13 1.98 0.00 3.61 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 2.13 2.11 0.00 80 I 8.48 4.91 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.99 0.00 0.00 81 R 8.89 4.97 0.00 1.90 1.83 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 1.54 1.59 0.00 82 R 8.79 4.73 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.18 7.23 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 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 84 D 8.03 4.56 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 8.75 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 0.00 0.00 0.00 86 T 7.81 4.16 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 1.19 0.00 0.00 87 R 8.42 5.10 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 V 8.79 4.54 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 0.77 0.00 0.00 0.90 0.00 0.00 89 K 8.40 5.04 0.00 2.00 1.72 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.41 7.81 90 F 8.97 4.76 0.00 3.27 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 91 E 9.01 4.04 0.00 1.96 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 2.31 2.26 0.00 92 D 7.76 4.77 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 8.72 5.25 0.00 2.62 2.71 0.00 0.00 6.47 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 94 A 8.97 5.29 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 95 A 9.07 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.29 4.60 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 0.99 0.00 0.00 0.92 0.00 0.00 97 I 8.56 4.37 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 1.24 0.40 0.90 0.00 0.00 98 V 8.52 4.92 1.90 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 0.60 0.00 0.00 0.81 0.00 0.00 99 D 7.90 5.07 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 0.00 100 E 8.89 3.94 0.00 1.97 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 8.81 4.52 0.00 2.94 2.87 0.00 0.00 7.22 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 8.26 3.86 0.00 2.23 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 2.22 2.30 0.00 103 D 8.23 5.09 0.00 2.88 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 4.42 0.00 2.19 2.17 0.00 3.70 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 2.07 1.96 0.00 105 R 8.77 3.99 0.00 1.76 1.98 0.00 3.22 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.13 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 0.00 107 T 8.57 4.43 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 1.21 0.00 0.00 108 E 8.85 4.81 0.00 1.83 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 2.21 2.26 0.00 109 L 8.50 5.00 0.00 1.51 1.57 0.96 0.93 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 8.51 4.28 0.00 1.65 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.38 7.81 111 G 8.96 4.02 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 0.00 0.00 0.00 112 P 0.00 4.86 0.00 2.26 2.16 0.00 3.78 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 2.17 2.11 0.00 113 I 8.40 4.79 1.90 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 1.14 0.68 0.92 0.00 0.00 114 A 8.23 4.68 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 0.00 115 R 9.11 3.89 0.00 2.07 2.26 0.00 3.00 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 116 E 8.29 3.94 0.00 2.11 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 0.00 2.42 2.60 0.00 117 V 8.01 3.74 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 1.23 0.00 0.00 1.00 0.00 0.00 118 A 8.19 4.02 1.37 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 0.00 119 Q 7.33 4.08 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.75 4.07 0.00 1.17 0.66 0.00 2.87 0.00 0.00 2.85 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.00 121 F 7.71 4.88 0.00 3.15 2.89 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 0.00 122 G 8.49 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 0.00 0.00 0.00 123 S 8.12 4.32 0.00 4.07 4.18 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 0.00 124 V 7.84 3.59 2.37 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 1.04 0.00 0.00 0.89 0.00 0.00 125 A 8.16 4.10 1.41 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 0.00 126 S 8.70 4.42 0.00 4.03 4.11 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 0.00 127 A 7.53 4.67 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 0.00 128 A 8.24 4.31 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 0.00 129 T 8.53 4.23 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 0.00 130 M 7.83 4.85 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 2.58 2.54 0.00 131 I 8.39 4.72 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 8.62 3.97 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 0.65 0.00 0.00 0.96 0.00 0.00