NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4648 8.3044 118.1953 55.1068 32.5702 174.3745 1 V 4.2711 7.9578 119.6205 60.6995 34.5651 173.5247 2 L 4.3429 8.2822 127.1716 54.0245 43.6286 176.8648 3 S 4.5688 8.5644 117.1983 57.5995 65.4565 175.1308 4 E 4.3012 8.8096 122.4481 59.4740 29.2346 179.0111 5 G 3.6321 8.1098 105.3903 47.8050 0.0000 175.4274 6 E 3.9300 7.9448 120.4230 59.0079 29.4115 179.4570 7 W 4.3643 8.1866 119.0014 59.8347 29.0792 178.6068 8 Q 4.1532 8.5754 118.3713 58.9433 28.0016 178.8307 9 L 4.0801 7.8605 119.8771 57.6603 41.6659 179.7254 10 V 3.7141 7.8350 118.0721 66.2537 31.5910 178.2198 11 L 4.3012 8.6017 118.8934 57.6185 41.1171 179.0565 12 H 4.2492 8.5063 119.0043 59.2979 29.9921 177.7251 13 V 3.6064 7.8327 120.8454 64.3071 31.3313 178.1457 14 W 3.9350 8.4104 128.9883 60.1097 30.2724 177.7341 15 A 3.9927 7.9124 120.2279 55.0329 18.0223 179.4724 16 K 3.9585 7.3221 117.0140 59.3933 32.1165 179.6984 17 V 2.9132 7.0570 118.2664 65.6664 31.0590 177.5376 18 E 3.9245 7.5697 115.9797 57.8777 29.3186 178.3346 19 A 4.2162 7.5018 120.5627 53.5395 19.9836 177.6324 20 D 4.6662 7.8236 116.6446 52.0533 42.6448 175.5058 21 V 3.4583 7.9036 123.3969 65.6728 32.1213 176.6896 22 A 4.0672 8.0252 120.0984 55.1611 18.3014 179.6627 23 G 3.7014 8.2772 105.4612 47.8376 0.0000 175.7111 24 H 4.1829 8.2597 119.0403 58.2673 28.6639 178.1317 25 G 3.6288 8.3424 107.8988 47.7092 0.0000 175.5034 26 Q 3.8539 8.0650 121.9287 59.0579 29.1089 177.8919 27 D 4.3055 7.9676 119.7828 57.5523 40.8661 179.1370 28 I 3.4997 7.7650 120.0480 64.2779 37.0964 178.5611 29 L 3.7745 7.7342 119.7693 57.7501 41.4017 179.6819 30 I 3.7487 7.7119 119.7666 64.2190 37.0113 178.4170 31 R 3.7849 8.0172 119.6954 59.1824 29.7998 178.2324 32 L 3.9287 7.7629 120.0162 58.4147 41.9944 179.0992 33 F 4.5897 7.7706 117.5447 60.5336 38.5525 177.9352 34 K 4.0471 8.1045 117.6167 59.4589 31.9502 179.3407 35 S 4.2809 7.9942 114.5946 60.3469 64.2113 174.5099 36 H 4.7353 8.3032 118.8339 51.7771 29.2470 171.7513 37 P 4.5466 0.0000 0.0000 64.6649 31.1486 177.4503 38 E 4.1746 8.2500 115.8606 59.2225 29.4986 179.0817 39 T 3.8609 8.2753 111.5230 64.5270 68.8730 176.2914 40 L 3.9457 8.0944 122.8178 57.9929 41.7520 178.7359 41 E 4.1138 7.8795 117.4721 58.9955 29.4248 178.8643 42 K 4.3575 8.2292 117.2462 57.1909 33.3205 178.0402 43 F 4.5813 8.0397 119.6553 55.2942 37.8261 175.5807 44 D 4.6548 8.3567 122.9372 56.9135 41.1311 178.3457 45 R 3.8932 7.7508 117.8913 57.9933 30.4055 176.4936 46 F 5.1306 8.3050 114.3130 56.5988 40.6464 176.7618 47 K 3.9068 8.4140 120.3953 59.6221 31.9117 177.5913 48 H 4.4171 8.2697 112.6121 57.2622 29.0432 175.5802 49 L 4.0526 7.5219 121.1771 55.0679 41.5085 176.9572 50 K 4.2649 9.4166 124.2753 57.6291 33.1010 177.1500 51 T 4.7418 7.3099 107.6216 58.8839 73.2413 174.2483 52 E 3.9335 8.6373 120.8000 59.1415 29.5116 178.5445 53 A 3.9589 7.9138 120.5495 55.2835 18.3121 179.3333 54 E 3.9545 7.8904 115.7255 59.6613 29.6942 179.2381 55 M 4.1483 7.9477 118.8671 58.3775 31.8275 178.9868 56 K 4.0947 8.1454 117.4359 59.0407 32.2730 178.5889 57 A 4.4245 7.5012 118.8777 52.1457 19.1035 177.2188 58 S 4.2096 7.4219 113.3077 57.7175 62.6254 174.4737 59 E 4.0370 8.8329 129.4302 59.0942 29.5596 177.9874 60 D 4.4477 8.1181 118.0457 57.2593 41.4511 177.8179 61 L 3.5097 8.1035 120.9452 57.7309 42.0539 178.8105 62 K 3.9317 7.9209 119.2656 59.3036 32.2166 178.6916 63 K 3.9838 8.2677 120.0037 59.8253 32.0341 178.3064 64 H 4.4442 8.4801 118.4231 59.1541 29.8175 177.4175 65 G 3.6780 8.2856 107.7029 47.8065 0.0000 175.8524 66 V 3.6532 7.8241 120.4413 66.0586 31.6700 178.2454 67 T 3.9206 7.8788 115.3269 66.6044 68.3056 176.8147 68 V 3.6170 8.0935 120.3394 66.1883 31.5869 178.2015 69 L 4.3470 8.2549 118.6805 58.0599 41.4649 179.6910 70 T 4.0246 8.2569 115.8098 66.4794 68.4006 176.6677 71 A 4.0279 8.0708 122.6156 55.0620 18.3583 179.4698 72 L 3.8867 8.2659 119.1064 58.1121 42.1590 179.3893 73 G 3.3852 8.6497 105.9329 47.7222 0.0000 175.5296 74 A 4.0459 7.7645 122.0786 54.8055 18.6349 179.6371 75 I 3.8264 7.5515 117.8757 64.5840 37.2837 178.5686 76 L 3.9969 7.8443 119.9996 57.7453 41.1993 179.5351 77 K 4.0427 7.7093 116.4991 58.1709 32.2697 178.6305 78 K 3.9947 7.8783 118.4822 55.9383 32.6237 176.5528 79 K 2.0000 8.2547 118.3267 56.4655 29.8748 175.5316 80 G 4.0033 8.0236 105.9685 45.7021 0.0000 174.0822 81 H 4.6032 7.3605 119.0597 55.0517 27.4206 174.6410 82 H 5.4649 7.2184 111.3615 54.3981 29.6274 176.2902 83 E 3.9377 8.5278 122.7747 60.1143 28.9818 178.6987 84 A 4.0175 7.8888 118.9100 55.2979 19.1842 179.0559 85 E 4.0944 8.1404 116.6228 59.2375 29.5335 179.0963 86 L 3.8678 8.1730 120.6562 57.7280 42.1068 178.5974 87 K 3.8604 7.8404 119.0475 59.3702 32.1057 177.3501 88 P 4.3109 0.0000 0.0000 65.6754 31.2229 178.2189 89 L 3.9965 7.4640 118.6101 57.9742 42.0610 178.7376 90 A 4.1114 8.2861 121.0884 55.1505 18.2155 179.4432 91 Q 3.8488 8.2010 118.3691 59.3062 29.1277 178.5998 92 S 3.9909 8.1406 115.3656 61.8164 63.1038 176.1200 93 H 4.2257 8.5069 119.3747 57.6544 28.2123 177.5304 94 A 2.6806 7.4929 121.9864 54.4109 18.7396 179.0927 95 T 4.0544 7.6445 112.7146 65.2137 68.9949 176.2554 96 K 4.1002 7.5122 119.9857 58.8066 32.8243 177.2011 97 H 4.3287 8.0113 114.2734 55.9780 29.4406 175.3941 98 K 3.6826 7.6311 117.5238 57.0572 28.5548 174.2780 99 I 4.3066 8.1536 118.6777 58.6299 38.8012 174.8969 100 P 4.6617 0.0000 0.0000 62.2033 32.1860 177.7406 101 I 3.6723 8.2025 122.1685 64.3292 36.7528 178.8345 102 K 3.9457 7.9365 120.2217 59.7325 32.0334 178.2727 103 Y 4.1433 7.9368 116.7827 60.7004 37.7345 178.2205 104 L 4.2937 7.8435 119.9004 57.6012 41.6616 179.2565 105 E 4.0979 7.9683 118.4241 59.3773 29.5115 179.0341 106 F 4.5641 7.9042 117.7499 60.3159 39.0306 177.4897 107 W 4.3506 8.4977 128.0996 60.7813 30.5685 178.2231 108 S 4.0792 8.3299 115.1210 61.4771 62.2567 176.2913 109 E 3.9402 8.3906 121.8531 59.2440 29.3979 178.7718 110 A 3.9142 7.9312 120.7872 55.0949 18.3895 179.6960 111 I 3.3721 7.2189 117.9507 64.5345 37.1886 178.7383 112 I 3.7521 7.6481 120.6364 64.5427 36.9225 177.9877 113 H 4.0884 8.2684 119.0742 59.3157 29.6580 177.5778 114 V 3.4947 7.6717 120.0286 65.8918 31.2478 178.0225 115 L 3.7263 7.7642 118.8388 57.8418 41.0494 178.9612 116 H 4.2844 7.7981 117.3250 59.3103 29.8592 177.2993 117 S 4.1797 7.7220 116.2221 61.3605 62.8107 176.2414 118 R 4.1339 7.8573 118.9686 57.1400 31.1746 176.3020 119 H 5.0103 8.2433 116.2653 53.6693 29.7272 173.0614 120 P 4.2590 0.0000 0.0000 66.0061 31.4047 179.1178 121 G 3.6292 8.1683 106.4504 47.5721 0.0000 173.6529 122 N 4.9709 8.1828 114.9036 52.8929 39.4620 174.8765 123 F 4.8900 7.8174 118.9023 56.3837 39.4706 174.1309 124 G 3.9143 7.5743 109.3981 43.5944 0.0000 171.7451 125 A 3.8933 8.4664 120.7560 55.5443 18.1743 179.6295 126 D 4.2076 7.9743 116.3072 57.5152 40.9751 178.8273 127 A 3.9169 7.7278 120.7414 55.0627 18.3365 179.3221 128 Q 3.0907 7.7955 118.4539 58.7758 29.0168 178.6374 129 G 3.4628 8.0091 106.6909 47.5998 0.0000 175.6109 130 A 3.8683 7.8745 123.2288 55.0283 18.3248 179.4439 131 M 4.0001 8.1064 116.7946 58.7324 32.2711 177.9418 132 N 4.2893 8.4244 117.5608 56.5406 39.1239 176.7598 133 K 3.8506 8.0850 120.8370 59.3672 32.2501 178.6837 134 A 3.8248 7.9032 121.0464 55.1664 18.2603 179.6788 135 L 4.0977 8.2049 117.6131 57.8040 41.5761 179.5798 136 E 4.0325 8.6306 119.2412 59.0213 29.3817 178.9917 137 L 3.9538 8.1045 120.5222 58.1137 42.1828 178.7525 138 F 4.0729 8.2752 120.5073 61.5086 39.2645 177.2786 139 R 3.7517 8.3955 117.6981 58.9869 29.8256 178.9711 140 K 3.8513 8.3161 119.7154 59.6930 32.2153 178.6865 141 D 4.3181 8.0830 119.1188 57.3145 40.6104 178.8556 142 I 3.4253 7.5217 120.2515 64.0111 37.0654 178.3036 143 A 3.6523 7.9708 121.7013 54.9717 18.1716 179.5587 144 A 3.9699 7.9184 119.3118 55.2604 18.4503 180.0856 145 K 4.0028 8.0535 117.0758 59.5907 32.0093 179.0504 146 Y 4.2559 8.3645 117.5022 61.1204 37.8901 178.7421 147 K 3.9747 8.0673 119.7996 59.7860 32.1196 178.7182 148 E 4.0515 7.8879 116.9836 59.0940 29.4468 178.6303 149 L 4.3255 7.8726 117.0385 55.2472 41.9055 177.7143 150 G 3.9227 8.0159 107.1897 45.3720 0.0000 172.2968 151 Y 4.5037 7.8049 119.7504 54.8747 40.3424 174.6947 152 Q 3.7011 7.5774 125.1326 55.6122 29.5786 177.0822 153 G 4.1697 8.3928 110.4159 45.9019 0.0000 173.3660 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 0 M 8.30 4.46 0.00 2.13 2.12 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 2.47 2.54 0.00 1 V 7.96 4.27 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 0.91 0.00 0.00 0.96 0.00 0.00 2 L 8.28 4.34 0.00 0.94 0.79 0.60 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.56 4.57 0.00 4.07 3.98 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 4 E 8.81 4.30 0.00 2.20 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 2.43 2.52 0.00 5 G 8.11 3.63 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 0.00 0.00 0.00 6 E 7.94 3.93 0.00 2.02 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 0.00 2.21 2.26 0.00 7 W 8.19 4.36 0.00 3.59 3.17 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 8 Q 8.58 4.15 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 9 L 7.86 4.08 0.00 1.83 1.74 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.83 3.71 2.44 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.60 4.30 0.00 1.84 1.82 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.51 4.25 0.00 3.43 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 3.61 2.40 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 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.41 3.93 0.00 3.68 3.30 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 15 A 7.91 3.99 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 16 K 7.32 3.96 0.00 1.45 1.70 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 V 7.06 2.91 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 -0.06 0.00 0.00 0.42 0.00 0.00 18 E 7.57 3.92 0.00 1.99 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 0.00 2.24 2.00 0.00 19 A 7.50 4.22 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 20 D 7.82 4.67 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.46 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 1.08 0.00 0.00 0.85 0.00 0.00 22 A 8.03 4.07 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 23 G 8.28 3.70 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 0.00 0.00 0.00 24 H 8.26 4.18 0.00 3.05 3.20 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.34 3.63 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 0.00 0.00 0.00 26 Q 8.06 3.85 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 27 D 7.97 4.31 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 28 I 7.77 3.50 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.15 0.00 0.00 29 L 7.73 3.77 0.00 1.57 1.34 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.71 3.75 1.86 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 1.42 0.77 0.90 0.00 0.00 31 R 8.02 3.78 0.00 1.91 1.96 0.00 3.01 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 32 L 7.76 3.93 0.00 1.85 1.52 1.18 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.77 4.59 0.00 3.11 2.94 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 34 K 8.10 4.05 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.72 7.81 35 S 7.99 4.28 0.00 3.80 3.63 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 36 H 8.30 4.74 0.00 3.00 3.04 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.55 0.00 2.16 2.14 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 38 E 8.25 4.17 0.00 2.31 2.31 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 2.32 2.53 0.00 39 T 8.28 3.86 4.51 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 8.09 3.95 0.00 1.49 1.81 0.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.11 0.00 2.22 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 0.00 2.40 2.43 0.00 42 K 8.23 4.36 0.00 1.91 1.68 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.75 1.91 7.81 43 F 8.04 4.58 0.00 3.27 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 44 D 8.36 4.65 0.00 2.61 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 45 R 7.75 3.89 0.00 1.47 1.24 0.00 2.98 0.00 0.00 2.78 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.37 0.00 46 F 8.30 5.13 0.00 2.92 2.71 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 47 K 8.41 3.91 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.97 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.76 7.81 48 H 8.27 4.42 0.00 3.29 3.43 0.00 5.53 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 49 L 7.52 4.05 0.00 1.54 1.57 0.82 0.54 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 50 K 9.42 4.26 0.00 1.67 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.55 7.81 51 T 7.31 4.74 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 52 E 8.64 3.93 0.00 2.05 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 2.36 2.36 0.00 53 A 7.91 3.96 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 54 E 7.89 3.95 0.00 2.12 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 2.34 2.34 0.00 55 M 7.95 4.15 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 56 K 8.15 4.09 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 57 A 7.50 4.42 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 58 S 7.42 4.21 0.00 3.85 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 59 E 8.83 4.04 0.00 2.14 1.96 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 2.40 2.46 0.00 60 D 8.12 4.45 0.00 2.99 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 61 L 8.10 3.51 0.00 1.31 1.58 -0.15 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.93 0.00 1.87 1.96 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 63 K 8.27 3.98 0.00 2.01 2.08 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.48 4.44 0.00 3.66 3.61 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.29 3.68 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 0.00 0.00 0.00 66 V 7.82 3.65 2.28 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 1.06 0.00 0.00 0.99 0.00 0.00 67 T 7.88 3.92 4.43 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 0.00 0.00 0.00 1.27 0.00 0.00 68 V 8.09 3.62 2.33 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 1.26 0.00 0.00 0.85 0.00 0.00 69 L 8.25 4.35 0.00 1.85 1.88 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.26 4.02 4.47 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 1.27 0.00 0.00 71 A 8.07 4.03 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.27 3.89 0.00 1.82 1.92 0.53 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.65 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 0.00 0.00 0.00 74 A 7.76 4.05 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 75 I 7.55 3.83 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 1.00 0.00 0.00 76 L 7.84 4.00 0.00 1.34 1.52 -0.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.71 4.04 0.00 1.67 1.81 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.54 7.81 78 K 7.88 3.99 0.00 1.87 1.83 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.61 7.81 79 K 8.25 2.00 0.00 1.26 0.74 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.40 0.73 7.81 80 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.36 4.60 0.00 3.18 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.22 5.46 0.00 3.31 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.53 3.94 0.00 2.07 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 2.39 2.41 0.00 84 A 7.89 4.02 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 85 E 8.14 4.09 0.00 2.25 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 2.42 2.44 0.00 86 L 8.17 3.87 0.00 2.00 1.64 0.70 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.84 3.86 0.00 1.80 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.69 7.81 88 P 0.00 4.31 0.00 2.28 2.32 0.00 3.81 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 2.22 2.04 0.00 89 L 7.46 4.00 0.00 1.80 1.88 0.83 1.08 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 90 A 8.29 4.11 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 91 Q 8.20 3.85 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 92 S 8.14 3.99 0.00 4.02 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 93 H 8.51 4.23 0.00 3.46 3.47 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.49 2.68 0.43 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.64 4.05 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 1.16 0.00 0.00 96 K 7.51 4.10 0.00 1.54 1.63 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.01 4.33 0.00 2.97 3.11 0.00 5.86 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 98 K 7.63 3.68 0.00 1.87 1.92 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.62 7.81 99 I 8.15 4.31 1.98 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 1.42 0.87 1.05 0.00 0.00 100 P 0.00 4.66 0.00 1.68 1.83 0.00 2.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.98 0.00 101 I 8.20 3.67 2.01 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.84 0.00 0.00 102 K 7.94 3.95 0.00 1.78 1.70 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 0.95 7.81 103 Y 7.94 4.14 0.00 3.19 3.07 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 0.00 0.00 0.00 104 L 7.84 4.29 0.00 1.95 1.86 0.71 0.71 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 0.00 105 E 7.97 4.10 0.00 2.05 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 2.42 2.59 0.00 106 F 7.90 4.56 0.00 3.25 2.88 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 0.00 107 W 8.50 4.35 0.00 3.63 3.37 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 0.00 108 S 8.33 4.08 0.00 4.18 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 0.00 109 E 8.39 3.94 0.00 2.16 2.29 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 2.33 2.38 0.00 110 A 7.93 3.91 1.19 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 0.00 0.00 111 I 7.22 3.37 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.06 0.87 0.00 0.00 112 I 7.65 3.75 2.06 0.00 0.00 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 1.65 1.11 1.10 0.00 0.00 113 H 8.27 4.09 0.00 3.25 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.67 3.49 1.94 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 0.93 0.00 0.00 0.90 0.00 0.00 115 L 7.76 3.73 0.00 0.50 0.51 0.73 0.65 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 0.00 116 H 7.80 4.28 0.00 3.47 3.53 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.72 4.18 0.00 3.91 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 0.00 118 R 7.86 4.13 0.00 1.54 1.62 0.00 3.07 0.00 0.00 2.95 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 119 H 8.24 5.01 0.00 3.16 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.26 0.00 2.19 2.25 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.17 3.63 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 0.00 0.00 0.00 122 N 8.18 4.97 0.00 2.79 2.92 0.00 0.00 6.69 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 0.00 123 F 7.82 4.89 0.00 2.93 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 0.00 124 G 7.57 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 0.00 125 A 8.47 3.89 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 0.00 126 D 7.97 4.21 0.00 2.67 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 0.00 127 A 7.73 3.92 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 0.00 128 Q 7.80 3.09 0.00 1.28 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 129 G 8.01 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 3.87 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 0.00 131 M 8.11 4.00 0.00 2.46 2.34 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.87 0.00 132 N 8.42 4.29 0.00 2.92 2.92 0.00 0.00 6.86 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 0.00 133 K 8.09 3.85 0.00 1.91 1.76 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 7.90 3.82 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 0.00 135 L 8.20 4.10 0.00 1.74 1.79 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.63 4.03 0.00 2.15 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 2.36 2.60 0.00 137 L 8.10 3.95 0.00 1.87 1.98 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.28 4.07 0.00 3.14 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 0.00 139 R 8.40 3.75 0.00 2.08 1.95 0.00 3.24 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 140 K 8.32 3.85 0.00 1.86 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 8.08 4.32 0.00 2.63 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 0.00 142 I 7.52 3.43 1.41 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.25 0.24 0.00 0.00 143 A 7.97 3.65 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 0.00 144 A 7.92 3.97 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 0.00 145 K 8.05 4.00 0.00 1.95 1.90 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 146 Y 8.36 4.26 0.00 3.11 3.28 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 0.00 147 K 8.07 3.97 0.00 1.91 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 148 E 7.89 4.05 0.00 2.15 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 2.36 2.58 0.00 149 L 7.87 4.33 0.00 1.78 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.02 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 0.00 151 Y 7.80 4.50 0.00 2.70 2.45 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 0.00 152 Q 7.58 3.70 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 153 G 8.39 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 0.00 0.00 0.00