NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.4910 8.4249 118.1130 53.0234 38.8591 172.0132 -4 L 4.5183 7.3993 121.4469 52.6107 44.2444 173.4524 -3 Y 5.3258 8.4454 119.8830 56.7015 42.3603 174.3991 -2 F 5.1548 9.5187 116.4795 56.2189 41.1973 174.5316 -1 Q 3.9067 9.1056 115.4862 56.9879 28.3453 178.1081 0 G 2.9062 5.4262 104.4296 47.0075 0.0000 173.7579 -3 N 5.5158 8.7254 118.2830 51.9015 43.4603 173.6991 -2 D 5.1748 9.5587 116.5795 52.7189 42.6973 175.0316 -1 T 3.9167 8.9356 109.2862 63.0879 68.7453 176.8081 0 I 3.1162 5.4200 115.5296 63.0075 38.1565 175.2579 6 A 4.2433 7.8943 121.1459 55.3912 18.2383 179.7189 7 R 3.8676 7.9246 116.0260 59.3925 30.1403 178.5160 8 Y 3.9926 7.7833 118.7998 60.8643 38.7908 178.0604 9 F 4.3937 8.0146 118.1811 60.5181 39.1073 177.2874 10 D 4.3955 8.6299 118.8150 57.3871 40.5830 178.7978 11 A 3.9796 8.2348 121.3098 54.8911 18.3732 179.3182 12 F 3.8572 8.0217 119.1966 61.7365 39.2934 177.2769 13 N 4.4366 8.5051 114.2765 55.7307 38.4011 176.3855 14 A 4.3597 7.7851 120.0225 51.5674 19.0165 177.7195 15 G 3.6077 7.6226 105.1479 46.1882 0.0000 174.4017 16 D 4.6500 8.0956 122.4802 52.1828 39.7557 176.8671 17 T 4.1129 8.1043 115.2554 64.0273 69.6408 176.3667 18 D 4.5061 8.4101 122.3831 57.3657 40.8293 179.2456 19 G 3.8638 7.9282 104.7040 45.3968 0.0000 175.2236 *21 L 4.0820 8.0421 121.9303 54.3100 43.5551 179.2248 22 A 4.0708 7.9658 120.4373 54.8542 18.5721 177.9159 23 C 4.3432 7.7006 112.1747 60.3165 28.6689 173.1358 24 L 4.9468 7.2824 120.2798 52.5416 43.4325 176.5844 25 S 4.4394 8.4581 116.8002 57.6530 63.8078 175.3479 26 E 3.9997 8.7338 120.8194 58.8069 29.3691 178.2071 27 D 4.8705 7.8286 116.9264 52.5504 40.0323 176.3779 28 V 3.8080 7.4638 119.3871 63.2911 32.3833 174.6023 29 A 4.9506 8.9019 126.9443 50.6415 20.9672 175.0171 30 H 5.1096 9.3035 124.2660 55.7784 31.3048 174.0624 31 H 4.7182 9.2274 125.7097 54.3099 28.9075 174.5052 32 V 3.7071 8.3312 124.5163 62.0683 32.3978 174.9247 33 N 4.3079 8.8745 126.3960 55.1178 39.1247 174.3246 34 E 3.9443 9.0781 123.0275 57.0315 27.9913 174.6873 35 G 4.0964 8.0704 109.0501 45.2463 0.0000 171.3647 36 N 4.8865 8.4993 119.5511 51.8531 42.2377 173.4736 37 I 4.6378 8.0600 120.2267 60.2086 38.6476 175.7868 38 R 4.6050 9.1625 127.1046 54.3606 32.4357 175.1467 39 V 4.6852 8.6733 124.0457 62.3813 33.4394 176.2880 40 G 4.1292 9.5401 113.1093 45.3190 0.0000 174.4704 41 K 4.1874 8.4548 117.8356 58.9973 32.0405 179.7146 42 E 4.0284 8.2092 118.7821 59.4574 29.4332 179.3336 43 K 4.1125 8.0967 118.0612 59.3358 32.1068 179.1008 44 F 4.0976 8.3460 120.8450 61.1610 39.2888 177.0772 45 A 4.1242 8.6371 120.5472 55.1880 18.2347 179.4407 46 A 3.9668 8.1055 119.2917 55.2367 18.2189 179.6515 47 F 3.9107 8.1448 118.2986 61.5994 39.5279 176.8378 48 C 4.2889 8.2676 115.3723 62.7820 28.3390 175.5864 49 A 4.1822 8.2215 122.4612 55.2651 17.9606 179.3528 50 H 4.0525 7.9715 113.2279 57.2658 29.3666 176.7847 *52 S 4.3520 7.9904 115.4117 57.9955 64.0000 174.3969 53 H 4.3631 7.9708 118.9911 58.8162 29.9264 175.9005 54 C 4.2173 7.7355 115.9375 60.7635 28.4268 172.9139 55 Y 5.5629 7.4448 114.3551 56.0932 42.0191 174.7674 56 K 4.6531 9.2524 123.2827 54.8494 34.7090 174.7606 57 E 5.3670 8.8135 125.6164 54.8145 33.8498 174.8149 58 E 5.0330 9.4014 121.1427 54.7668 34.0448 174.4693 59 L 5.2046 9.3542 124.2704 53.7347 43.3260 175.9126 60 T 4.6364 8.5512 112.9372 59.9802 73.5363 170.0982 61 D 4.1271 8.5390 123.4198 54.2968 40.4247 173.1066 *63 V 3.5211 8.0400 121.9720 62.7921 32.9479 173.9520 64 I 4.7211 8.0672 129.2676 59.6016 38.1085 175.7678 65 F 4.4145 8.9247 126.6486 56.8963 39.5125 175.8473 66 A 4.3605 8.7294 123.9756 52.5233 18.9834 176.6412 67 T 5.0265 8.7224 114.4757 59.8046 70.2322 172.2521 68 P 4.7210 0.0000 0.0000 63.0650 32.4038 175.6883 69 D 4.7208 8.5152 119.7029 52.8447 44.0679 175.5911 70 A 3.9335 9.1525 130.2056 55.0608 18.6255 177.7632 71 T 4.5448 8.6979 104.8279 61.3091 69.3100 174.2929 72 R 5.3534 8.0328 120.0509 55.1454 34.3203 174.0722 73 A 4.9302 9.0653 121.6832 51.3559 23.5542 174.9446 74 A 5.2417 8.6612 118.8810 50.9692 22.8960 175.3066 75 A 5.4831 9.2922 121.8655 50.5657 23.2361 174.8404 76 E 4.9916 9.0201 121.4045 54.8351 32.9913 174.2807 77 Y 4.9290 7.8350 122.3829 57.8613 42.2390 172.4893 78 T 4.9095 8.9200 116.2632 61.8510 71.2651 173.9243 79 V 4.4584 8.8734 127.3189 61.7346 33.3256 174.1053 80 N 5.2960 9.1493 126.0397 51.5995 41.4012 174.2080 81 G 3.8949 8.3123 109.7346 45.6159 0.0000 171.4473 82 T 5.2191 8.7232 115.8521 61.8653 72.4313 173.5309 83 Y 5.3818 9.4858 128.5002 57.2083 38.3586 175.5501 84 L 4.4802 9.4711 127.3960 56.5457 42.4881 177.6516 85 A 4.4274 7.4013 118.4398 50.3301 22.6771 176.1970 86 T 3.6654 8.3683 118.5286 63.9459 69.2504 173.2169 87 D 4.6636 9.5176 128.8577 52.9724 41.8173 175.8991 88 E 4.1158 8.9227 122.6195 58.3233 29.6946 173.8474 89 G 4.0866 9.2983 113.1261 44.0260 0.0000 172.7383 90 L 4.8124 7.8591 119.0253 51.9916 43.9830 174.3355 91 P 4.4895 0.0000 0.0000 62.4522 31.7789 176.3372 92 E 3.9733 8.5559 120.9851 56.1173 30.1935 176.2495 93 A 3.9028 7.8969 129.1270 51.5526 19.1980 178.2526 94 R 4.5507 8.9726 120.6361 55.6321 29.8088 175.0253 95 Q 3.8194 8.3487 113.9778 58.0886 26.7839 173.7755 96 Q 4.2840 8.1375 115.9715 56.4040 30.0906 175.5194 97 S 5.1639 8.6592 117.7890 57.5020 63.7176 172.6090 98 Y 5.2420 8.6821 124.2520 55.5405 42.0332 174.1046 99 K 5.1169 9.2106 121.4131 55.3264 35.4876 175.0251 100 L 4.9590 9.1968 129.2964 52.7552 45.8620 173.4269 101 P 4.9545 0.0000 0.0000 63.0791 32.4866 174.9792 102 A 4.7996 8.7224 122.4317 51.1865 23.3316 175.0306 103 G 4.2233 8.7836 104.8587 45.2674 0.0000 172.4373 104 S 5.1544 9.1256 116.6511 56.5536 67.6052 173.2229 105 F 5.3653 8.7392 121.5436 55.8581 42.6994 174.2662 106 F 5.4918 9.5093 119.6054 56.1342 43.8307 173.2122 107 D 5.5671 8.9800 120.9516 52.7991 43.6455 175.5323 108 L 5.2593 8.8922 121.3159 53.0120 46.6376 175.8276 109 R 4.2988 8.8248 121.2830 55.6970 32.4797 175.0895 110 D 4.5377 9.9926 126.2984 55.4106 38.4655 174.8826 111 G 3.9270 8.4725 105.9740 45.1764 0.0000 173.7561 112 L 4.7140 7.5740 120.0685 52.6816 43.7398 175.6292 113 I 4.4156 8.6761 124.6811 61.6901 37.6129 176.5674 114 T 4.4346 9.1382 116.8150 61.1646 71.1390 174.2350 115 R 5.1612 7.6479 122.5148 55.1207 33.9107 173.6503 116 V 4.6359 8.8845 125.4665 60.1293 34.5850 174.4128 117 T 4.7535 8.6491 122.1317 61.9296 71.2333 172.9194 118 T 4.9102 7.7770 123.8778 61.9083 70.5745 173.7808 119 Y 5.2118 9.1629 123.9325 55.7694 41.2257 174.2858 120 Y 4.8598 8.0420 118.4775 55.5045 41.0040 174.3011 121 N 4.6078 8.6797 119.0227 52.2844 38.9855 175.0042 122 L 4.2551 8.2454 130.3042 58.3879 42.3816 178.6744 123 S 4.2207 8.2211 114.5720 61.6179 62.5548 176.2336 124 D 4.4016 8.5011 121.0147 57.0575 40.8920 178.3095 125 W 4.2107 8.2850 128.7294 60.6416 30.8277 177.9148 126 I 3.3674 8.3494 120.0915 64.4599 36.2914 178.5779 127 K 3.9939 7.8306 118.2979 59.4077 31.8910 179.1250 128 Q 4.0730 7.7779 117.7168 58.0389 28.7693 177.8941 129 V 3.9529 6.9317 110.2613 60.5297 32.6401 176.1567 130 S 4.2506 7.0354 114.8175 57.5669 63.7869 174.1240 *131 A 4.1104 8.4123 125.3267 52.5510 18.6117 176.5525 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 -5 N 8.42 4.49 0.00 2.77 2.83 0.00 0.00 6.87 6.97 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 -4 L 7.40 4.52 0.00 1.53 1.48 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.45 5.33 0.00 2.91 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 -2 F 9.52 5.15 0.00 3.07 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 -1 Q 9.11 3.91 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 0 G 5.43 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 0.00 0.00 0.00 -3 N 8.73 5.52 0.00 2.71 2.69 0.00 0.00 6.78 7.45 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 -2 D 9.56 5.17 0.00 2.65 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 -1 T 8.94 3.92 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 0 I 5.42 3.12 1.87 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 1.41 0.60 0.91 0.00 0.00 6 A 7.89 4.24 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 7 R 7.92 3.87 0.00 2.00 1.99 0.00 3.12 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 8 Y 7.78 3.99 0.00 2.84 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 9 F 8.01 4.39 0.00 3.10 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 10 D 8.63 4.40 0.00 2.91 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 11 A 8.23 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 3.86 0.00 2.95 3.26 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 13 N 8.51 4.44 0.00 2.79 2.98 0.00 0.00 7.07 8.04 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 14 A 7.79 4.36 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 15 G 7.62 3.61 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 0.00 0.00 0.00 16 D 8.10 4.65 0.00 2.70 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 17 T 8.10 4.11 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 1.23 0.00 0.00 18 D 8.41 4.51 0.00 2.90 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 19 G 7.93 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 0.00 0.00 0.00 *21 L 8.04 4.08 0.00 1.92 1.80 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.97 4.07 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 23 C 7.70 4.34 0.00 2.87 2.85 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 0.00 0.00 0.00 24 L 7.28 4.95 0.00 1.47 1.36 -0.11 0.56 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 25 S 8.46 4.44 0.00 4.01 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 26 E 8.73 4.00 0.00 2.01 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 2.39 2.24 0.00 27 D 7.83 4.87 0.00 2.76 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 28 V 7.46 3.81 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 0.68 0.00 0.00 0.82 0.00 0.00 29 A 8.90 4.95 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 30 H 9.30 5.11 0.00 3.33 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 9.23 4.72 0.00 3.10 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.33 3.71 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 1.07 0.00 0.00 0.56 0.00 0.00 33 N 8.87 4.31 0.00 2.86 2.41 0.00 0.00 7.22 7.65 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 34 E 9.08 3.94 0.00 2.09 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 2.07 2.16 0.00 35 G 8.07 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 0.00 0.00 0.00 36 N 8.50 4.89 0.00 2.65 2.73 0.00 0.00 6.78 7.43 0.00 0.00 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 I 8.06 4.64 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.38 0.74 0.00 0.00 38 R 9.16 4.61 0.00 1.68 1.86 0.00 3.15 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 39 V 8.67 4.69 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 0.79 0.00 0.00 0.93 0.00 0.00 40 G 9.54 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 41 K 8.45 4.19 0.00 1.85 1.93 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 42 E 8.21 4.03 0.00 2.06 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 2.44 2.44 0.00 43 K 8.10 4.11 0.00 2.04 1.96 0.00 1.91 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.55 7.81 44 F 8.35 4.10 0.00 3.28 3.10 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 45 A 8.64 4.12 1.50 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 46 A 8.11 3.97 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 47 F 8.14 3.91 0.00 3.08 2.99 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 48 C 8.27 4.29 0.00 3.17 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 49 A 8.22 4.18 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 50 H 7.97 4.05 0.00 3.25 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 S 7.99 4.35 0.00 3.90 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 53 H 7.97 4.36 0.00 3.08 3.38 0.00 5.99 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.74 4.22 0.00 2.14 1.67 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 55 Y 7.44 5.56 0.00 2.89 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 56 K 9.25 4.65 0.00 1.87 1.68 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.42 7.81 57 E 8.81 5.37 0.00 2.09 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 2.33 2.52 0.00 58 E 9.40 5.03 0.00 1.81 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 2.41 0.00 59 L 9.35 5.20 0.00 1.33 1.30 0.14 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.55 4.64 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 61 D 8.54 4.13 0.00 2.86 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 *63 V 8.04 3.52 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 0.08 0.00 0.00 0.77 0.00 0.00 64 I 8.07 4.72 1.86 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 1.50 0.76 0.96 0.00 0.00 65 F 8.92 4.41 0.00 2.96 2.99 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 66 A 8.73 4.36 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 67 T 8.72 5.03 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 1.16 0.00 0.00 68 P 0.00 4.72 0.00 2.20 1.98 0.00 3.58 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 69 D 8.52 4.72 0.00 2.73 2.58 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 0.00 0.00 0.00 0.00 70 A 9.15 3.93 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 71 T 8.70 4.54 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 1.26 0.00 0.00 72 R 8.03 5.35 0.00 1.74 1.91 0.00 3.45 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 73 A 9.07 4.93 1.24 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 74 A 8.66 5.24 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 75 A 9.29 5.48 1.57 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 0.00 0.00 76 E 9.02 4.99 0.00 2.16 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 0.00 2.14 2.28 0.00 77 Y 7.84 4.93 0.00 2.98 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 78 T 8.92 4.91 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 1.24 0.00 0.00 79 V 8.87 4.46 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 1.18 0.00 0.00 0.98 0.00 0.00 80 N 9.15 5.30 0.00 2.70 2.62 0.00 0.00 6.23 7.93 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 81 G 8.31 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 82 T 8.72 5.22 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 1.35 0.00 0.00 83 Y 9.49 5.38 0.00 3.40 3.22 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 84 L 9.47 4.48 0.00 1.56 1.64 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.40 4.43 0.93 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 0.00 0.00 86 T 8.37 3.67 4.21 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 1.34 0.00 0.00 87 D 9.52 4.66 0.00 2.84 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 88 E 8.92 4.12 0.00 2.02 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 2.24 1.92 0.00 89 G 9.30 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 0.00 0.00 0.00 0.00 90 L 7.86 4.81 0.00 2.08 2.04 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.49 0.00 2.11 2.02 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 92 E 8.56 3.97 0.00 1.90 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 2.25 2.29 0.00 93 A 7.90 3.90 0.35 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 0.00 0.00 0.00 94 R 8.97 4.55 0.00 1.80 1.90 0.00 3.18 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 95 Q 8.35 3.82 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 96 Q 8.14 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 97 S 8.66 5.16 0.00 3.88 3.77 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 98 Y 8.68 5.24 0.00 3.16 2.99 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 99 K 9.21 5.12 0.00 1.78 1.73 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 100 L 9.20 4.96 0.00 1.93 1.52 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.95 0.00 2.10 2.02 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 102 A 8.72 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.78 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 0.00 0.00 0.00 0.00 104 S 9.13 5.15 0.00 4.04 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 0.00 105 F 8.74 5.37 0.00 2.83 2.86 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 0.00 106 F 9.51 5.49 0.00 2.85 2.73 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 0.00 107 D 8.98 5.57 0.00 2.60 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 0.00 108 L 8.89 5.26 0.00 1.53 1.50 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.82 4.30 0.00 1.72 1.70 0.00 3.23 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 110 D 9.99 4.54 0.00 2.80 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 0.00 111 G 8.47 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 0.00 0.00 0.00 112 L 7.57 4.71 0.00 1.77 1.50 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.68 4.42 1.70 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.36 0.91 0.00 0.00 114 T 9.14 4.43 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 0.00 115 R 7.65 5.16 0.00 1.87 1.87 0.00 2.82 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 116 V 8.88 4.64 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 0.89 0.00 0.00 0.72 0.00 0.00 117 T 8.65 4.75 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 0.55 0.00 0.00 118 T 7.78 4.91 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 1.42 0.00 0.00 119 Y 9.16 5.21 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 4.86 0.00 2.88 2.86 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 0.00 121 N 8.68 4.61 0.00 2.81 2.86 0.00 0.00 6.51 6.66 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 0.00 122 L 8.25 4.26 0.00 1.73 1.66 1.12 1.00 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 0.00 123 S 8.22 4.22 0.00 4.06 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 0.00 124 D 8.50 4.40 0.00 2.95 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 0.00 125 W 8.28 4.21 0.00 3.35 3.40 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 0.00 126 I 8.35 3.37 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.26 0.91 0.00 0.00 127 K 7.83 3.99 0.00 1.91 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.76 7.81 128 Q 7.78 4.07 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 129 V 6.93 3.95 1.89 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 -0.14 0.00 0.00 -0.16 0.00 0.00 130 S 7.04 4.25 0.00 3.82 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 *131 A 8.41 4.11 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 * Residues marked with a * may have inaccurate shift predictions.