NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 I 4.1295 7.8827 114.4127 60.8033 39.2390 174.0592 32 V 3.9853 8.2653 128.9514 61.4914 31.5386 174.2238 33 L 4.4198 8.7015 130.0408 54.5053 43.2933 177.2119 34 E 4.1323 8.6323 118.9299 56.1424 30.0045 175.4701 35 P 4.3873 0.0000 0.0000 62.4447 32.5388 175.8070 36 I 4.3873 8.5124 124.0484 59.9052 39.2175 174.2714 37 Y 4.7807 8.7558 125.7650 57.0068 38.7413 176.5024 38 W 4.8601 9.2340 135.0000 55.5749 29.3110 174.6438 39 N 5.2609 8.0278 120.2778 50.5212 40.0790 176.6604 40 S 4.2514 8.7400 114.2486 60.7457 63.2754 175.4893 41 S 4.1605 8.1458 114.7040 59.8662 63.1470 173.5686 42 N 4.4485 8.2768 121.6069 53.4374 38.0512 175.1910 43 S 4.2982 8.6032 122.9478 59.7893 63.8330 176.1539 44 K 3.8702 7.9463 122.6604 56.7974 31.4072 182.7751 45 F 4.6309 7.0384 115.3092 57.1756 37.7180 175.0569 46 L 4.4209 8.4058 126.0782 52.7047 42.7394 174.8658 47 P 4.1138 0.0000 0.0000 63.7761 31.0333 174.9902 48 G 4.1507 9.0122 119.3195 47.0545 0.0000 175.2015 49 Q 4.0883 7.9399 118.4341 55.3737 29.3065 180.3557 50 G 4.0649 8.3448 107.0034 45.1794 0.0000 171.2480 51 L 4.9187 9.0293 123.2274 53.6616 44.0261 176.7587 52 V 4.9278 8.3920 125.4392 61.1614 33.8748 174.3630 53 L 4.8119 8.8601 129.5361 53.9036 45.5375 175.8292 *54 Y 5.4106 8.4001 120.7930 53.8032 37.9012 172.8700 55 P 4.4113 0.0000 0.0000 61.4356 33.6808 175.8490 56 Q 4.6446 8.2265 121.1406 54.4296 30.9993 175.3237 57 I 4.1701 8.2105 122.2049 63.4150 37.5701 176.4194 58 G 4.0444 9.2918 116.2936 45.9406 0.0000 174.3730 59 D 4.9246 8.0512 120.2443 53.9742 41.3565 180.6933 60 K 5.2440 8.8086 117.2542 55.3067 36.6621 175.4893 61 L 4.9481 8.9618 125.2989 53.8065 45.9272 174.3415 62 D 5.2290 8.8401 126.1664 53.5740 42.8235 175.1693 63 I 4.7767 9.0429 124.9844 59.8216 39.3251 174.5783 64 I 4.7992 8.7589 128.7458 59.6077 40.0571 174.1962 65 C 5.1749 9.6994 126.0676 55.2852 41.1518 171.5421 66 P 5.1948 0.0000 0.0000 61.8011 32.4731 176.0079 67 K 4.2960 8.7525 123.0753 56.6093 33.1080 177.1820 68 V 4.0636 8.3878 120.5971 61.1059 31.4741 175.2619 69 D 4.8955 8.1121 130.5557 52.7861 41.0327 177.0438 70 S 4.5307 8.7404 118.6698 59.9345 63.6735 175.2211 71 K 4.6626 8.0136 121.3980 50.9822 32.0078 180.6019 72 T 4.2184 7.2605 106.6678 60.8287 71.8865 176.1369 73 V 3.8919 8.5574 128.5560 63.0746 30.9917 177.1882 *75 Q 4.2901 8.4742 115.7776 54.7476 29.8133 171.5938 76 Y 4.4211 8.2874 121.5105 58.3344 39.7318 175.2961 77 E 4.2948 7.3441 121.1741 54.0717 30.3404 175.8749 78 Y 4.2754 8.3322 124.4115 56.9858 38.3970 175.3427 79 Y 5.0233 8.5945 121.3647 56.1274 42.6811 174.6346 80 K 4.8096 8.9238 122.8985 54.8916 33.7716 175.8298 81 V 4.2927 8.3957 126.0535 61.2429 33.8592 174.1576 82 Y 4.9160 8.6218 123.7387 56.3174 42.5098 173.9234 83 M 4.9275 8.6614 122.5866 55.1207 31.8169 175.5802 84 V 4.8318 8.6633 118.6570 59.3130 36.5379 175.0080 85 D 4.8457 8.7684 121.3698 52.8765 40.6553 177.3154 86 K 3.3796 8.8951 124.3974 60.6044 32.1308 179.0160 87 D 4.2915 7.9284 119.6610 58.2633 40.0779 179.7400 88 Q 4.2722 7.9054 118.6837 58.2917 29.2132 177.2842 89 A 4.2371 8.2521 121.9764 52.8973 19.6642 176.1580 90 D 5.0943 7.7901 119.6939 52.6467 40.5975 175.2850 91 R 4.8923 7.3405 115.9288 55.2466 32.5865 176.2568 92 C 3.8482 8.9691 122.9176 56.5555 36.4240 172.2805 93 T 4.7331 7.8923 112.8055 60.4306 70.7956 171.9522 94 I 4.6873 7.9430 120.4773 60.3871 40.6305 176.1547 95 K 4.3115 7.9950 116.6947 54.9192 36.1409 170.9160 *100 P 3.6896 0.0000 0.0000 63.2785 32.0464 176.5869 101 L 3.7877 8.2196 122.5923 56.3676 42.4721 177.3946 102 L 4.5942 7.3497 117.8878 52.8002 45.2970 175.5731 103 N 4.8475 8.7296 122.7029 52.3651 39.1644 174.2927 104 C 4.7607 9.3125 124.2639 54.4783 39.3410 173.1631 105 A 4.9752 7.7289 131.3174 50.8548 18.9489 179.9886 106 R 4.4534 7.9159 119.0664 53.8017 32.1397 174.8242 107 P 2.9944 0.0000 0.0000 64.5892 31.5930 177.5119 108 D 4.6819 7.6583 114.6462 53.8311 41.0251 175.0256 109 Q 4.5387 7.3394 117.5536 54.3812 32.1762 173.6103 110 D 4.7476 8.8663 126.6685 54.3845 41.5077 175.6273 111 V 4.4736 8.7036 124.3574 61.0687 33.9222 174.4444 112 K 5.1541 8.4842 126.9538 54.8426 35.8131 174.6814 113 F 4.7128 9.1684 127.7138 56.5047 42.5497 173.2424 114 T 4.9829 7.8037 120.3578 60.3138 69.1182 173.2223 115 I 4.1874 8.5599 130.5570 60.6444 38.6348 174.6809 116 K 4.6885 8.4799 128.3422 55.0421 33.6662 176.3658 117 F 4.6910 9.2667 127.8333 56.3869 38.6168 174.3879 118 Q 5.0317 8.5713 120.5434 54.0699 31.8568 176.2502 119 E 4.3447 9.0570 120.3436 57.7606 30.1999 176.7450 120 F 4.7367 7.9585 119.9348 56.5507 41.3555 172.8044 121 S 4.5759 8.3066 122.7304 55.4890 63.9529 172.8208 122 P 4.1915 0.0000 0.0000 64.0983 31.5801 175.8863 123 N 4.3562 7.4479 117.4200 53.0642 39.2294 174.9636 124 L 3.5626 8.4310 127.9664 57.4508 41.9674 177.5544 125 W 4.7061 8.2311 115.8901 56.1219 29.3320 176.4310 126 G 4.0757 7.8710 107.5088 44.9305 0.0000 173.7953 127 L 4.1148 8.1161 120.8235 53.6458 42.6607 176.3615 128 E 4.6149 7.4549 121.4967 54.4830 32.8922 175.0615 129 F 4.9707 8.9719 121.6752 55.8811 43.7727 173.5159 130 Q 5.0268 10.0557 124.5625 54.5528 30.6949 176.1253 131 K 3.9176 8.8252 125.0791 56.5593 32.1615 173.3413 132 N 4.3511 8.7159 121.0243 53.5417 36.6894 173.8676 133 K 4.7038 7.9229 116.6375 54.8239 36.8501 174.3481 134 D 5.4335 8.2405 122.8394 52.7503 43.5150 174.8523 135 Y 4.9475 8.4662 118.3251 56.5334 42.7615 173.8915 136 Y 5.1950 8.4530 114.5481 56.9271 43.1135 174.8151 137 I 5.3058 8.8269 121.5956 60.2694 42.1294 174.3800 138 I 5.4628 8.9918 119.4903 59.5016 42.0402 173.7642 139 S 5.0719 8.6137 116.1240 57.0012 65.5539 174.1630 140 T 4.8365 8.6847 115.0245 60.7983 69.1428 174.8794 141 S 4.6636 8.1432 119.3024 58.9216 63.4938 174.0594 142 N 4.8321 8.8851 119.8810 52.7310 37.5591 176.7409 143 G 3.5632 8.4685 109.8480 45.7217 0.0000 173.8694 144 S 5.0035 7.3871 113.8849 56.1618 66.7038 174.6401 145 L 3.3810 7.8482 123.6272 58.2208 41.5338 178.7582 146 E 4.0069 8.1341 117.0647 58.8872 29.6559 178.5690 147 G 4.2151 7.5585 103.6896 43.3051 0.0000 175.3362 148 L 4.0787 7.2348 123.3095 57.8728 42.3059 177.2694 149 D 4.7593 7.6538 114.4341 52.9079 40.0562 175.5777 150 N 4.3631 8.9449 119.8789 54.1066 38.3747 175.7303 151 Q 4.2636 8.6854 122.5712 56.8862 29.1530 175.8632 152 E 4.9070 7.8909 115.2192 55.4597 33.3155 172.7343 153 G 4.0231 8.5499 107.7962 44.2824 0.0000 175.3026 154 G 4.0045 10.2918 114.7632 43.8325 0.0000 176.7345 155 V 3.1572 8.8037 114.6277 61.3504 31.5073 176.8700 156 C 3.9465 6.7652 121.3033 60.7144 44.2119 175.4352 157 Q 4.3802 7.9370 113.9639 55.1242 28.6360 177.8565 158 T 4.4333 7.7905 115.4175 66.2772 70.0578 176.3164 159 R 4.4784 7.9342 115.3345 54.7972 30.9008 176.6460 160 A 3.9155 7.8868 119.3375 54.6484 15.1504 178.0192 161 M 3.7488 7.4328 120.4403 54.9854 30.9254 175.6852 162 K 5.1034 7.5974 120.5057 55.7785 36.8142 174.9948 163 I 5.2385 9.2020 121.7363 59.5476 41.0438 174.5121 164 L 4.9698 8.7672 126.4040 52.6266 45.0793 175.0296 165 M 4.5823 8.4971 126.4861 53.8672 33.9101 175.6049 166 K 4.8706 8.5428 125.4480 54.6602 32.2056 176.4328 167 V 4.4438 8.2313 125.3549 62.2347 33.3716 176.2231 168 G 4.1825 8.5249 113.7371 46.1272 0.0000 173.4754 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 31 I 7.88 4.13 1.86 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 1.24 0.52 0.91 0.00 0.00 32 V 8.27 3.99 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 0.94 0.00 0.00 33 L 8.70 4.42 0.00 1.61 1.58 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.63 4.13 0.00 1.75 1.76 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 2.23 1.92 0.00 35 P 0.00 4.39 0.00 1.91 1.82 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 36 I 8.51 4.39 1.95 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 1.21 0.81 1.09 0.00 0.00 37 Y 8.76 4.78 0.00 2.92 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 38 W 9.23 4.86 0.00 3.52 3.01 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 39 N 8.03 5.26 0.00 3.05 3.01 0.00 0.00 5.87 7.64 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 40 S 8.74 4.25 0.00 4.02 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 41 S 8.15 4.16 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.28 4.45 0.00 2.95 3.04 0.00 0.00 6.79 7.62 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 43 S 8.60 4.30 0.00 4.00 3.96 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 44 K 7.95 3.87 0.00 1.81 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.29 7.81 45 F 7.04 4.63 0.00 3.05 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 46 L 8.41 4.42 0.00 1.75 1.58 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.11 0.00 2.06 2.03 0.00 4.03 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 48 G 9.01 4.15 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 0.00 49 Q 7.94 4.09 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 50 G 8.34 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.03 4.92 0.00 1.84 1.68 0.15 0.85 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 52 V 8.39 4.93 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 0.88 0.00 0.00 0.97 0.00 0.00 53 L 8.86 4.81 0.00 1.61 1.42 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *54 Y 8.40 5.41 0.00 2.04 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 P 0.00 4.41 0.00 0.63 1.40 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.00 56 Q 8.23 4.64 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 57 I 8.21 4.17 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.99 0.00 0.00 58 G 9.29 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.05 4.92 0.00 2.40 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 60 K 8.81 5.24 0.00 1.73 1.70 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 61 L 8.96 4.95 0.00 1.93 1.71 0.98 1.46 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 62 D 8.84 5.23 0.00 2.62 2.50 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 63 I 9.04 4.78 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 1.00 0.00 0.00 64 I 8.76 4.80 1.26 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.56 1.04 0.00 0.00 65 C 9.70 5.17 0.00 3.06 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 66 P 0.00 5.19 0.00 2.21 2.32 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.51 0.00 67 K 8.75 4.30 0.00 1.97 1.83 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 68 V 8.39 4.06 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 0.94 0.00 0.00 0.95 0.00 0.00 69 D 8.11 4.90 0.00 2.73 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 70 S 8.74 4.53 0.00 3.88 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 71 K 8.01 4.66 0.00 1.72 1.55 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.22 7.81 72 T 7.26 4.22 4.28 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 1.23 0.00 0.00 73 V 8.56 3.89 2.11 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 0.80 0.00 0.00 0.95 0.00 0.00 *75 Q 8.47 4.29 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.74 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 76 Y 8.29 4.42 0.00 2.79 2.82 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 77 E 7.34 4.29 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.87 0.00 78 Y 8.33 4.28 0.00 2.67 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 79 Y 8.59 5.02 0.00 2.97 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 80 K 8.92 4.81 0.00 1.78 1.63 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 81 V 8.40 4.29 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 -0.02 0.00 0.00 -0.04 0.00 0.00 82 Y 8.62 4.92 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 M 8.66 4.93 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 84 V 8.66 4.83 2.11 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 0.78 0.00 0.00 1.02 0.00 0.00 85 D 8.77 4.85 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 86 K 8.90 3.38 0.00 2.10 1.85 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.13 7.81 87 D 7.93 4.29 0.00 2.82 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 88 Q 7.91 4.27 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 89 A 8.25 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.79 5.09 0.00 2.59 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 91 R 7.34 4.89 0.00 1.77 1.67 0.00 3.26 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 92 C 8.97 3.85 0.00 3.14 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 93 T 7.89 4.73 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 94 I 7.94 4.69 1.20 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.49 0.00 0.00 95 K 8.00 4.31 0.00 1.76 1.67 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.98 7.81 *100 P 0.00 3.69 0.00 1.51 0.49 0.00 3.61 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 1.65 1.82 0.00 101 L 8.22 3.79 0.00 0.98 0.52 0.44 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.35 4.59 0.00 1.28 1.39 0.56 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.73 4.85 0.00 2.62 2.69 0.00 0.00 7.14 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 0.00 104 C 9.31 4.76 0.00 3.06 3.12 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 0.00 105 A 7.73 4.98 1.47 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 0.00 0.00 0.00 106 R 7.92 4.45 0.00 1.80 1.69 0.00 3.29 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 107 P 0.00 2.99 0.00 1.89 1.77 0.00 3.28 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.57 0.00 108 D 7.66 4.68 0.00 2.52 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 0.00 109 Q 7.34 4.54 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 110 D 8.87 4.75 0.00 2.63 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 0.00 111 V 8.70 4.47 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 0.95 0.00 0.00 0.96 0.00 0.00 112 K 8.48 5.15 0.00 1.74 1.57 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.38 7.81 113 F 9.17 4.71 0.00 3.05 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 0.00 114 T 7.80 4.98 4.56 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 1.09 0.00 0.00 115 I 8.56 4.19 1.58 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 -0.04 0.00 0.00 116 K 8.48 4.69 0.00 1.73 1.70 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.58 7.81 117 F 9.27 4.69 0.00 3.02 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 0.00 118 Q 8.57 5.03 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 119 E 9.06 4.34 0.00 2.04 2.13 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 2.37 2.42 0.00 120 F 7.96 4.74 0.00 2.92 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 0.00 121 S 8.31 4.58 0.00 3.73 3.43 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 0.00 122 P 0.00 4.19 0.00 2.18 2.16 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 123 N 7.45 4.36 0.00 2.71 2.76 0.00 0.00 6.67 6.54 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 0.00 124 L 8.43 3.56 0.00 1.13 0.81 0.53 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.23 4.71 0.00 3.52 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 0.00 126 G 7.87 4.08 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 0.00 0.00 0.00 127 L 8.12 4.11 0.00 1.58 1.06 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.45 4.61 0.00 1.56 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 1.96 2.25 0.00 129 F 8.97 4.97 0.00 3.04 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 0.00 130 Q 10.06 5.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 131 K 8.83 3.92 0.00 1.79 1.65 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.33 7.81 132 N 8.72 4.35 0.00 2.91 2.94 0.00 0.00 6.73 7.77 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 0.00 133 K 7.92 4.70 0.00 1.78 1.89 0.00 1.21 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.16 0.73 7.81 134 D 8.24 5.43 0.00 2.37 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 0.00 0.00 0.00 135 Y 8.47 4.95 0.00 3.01 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 0.00 136 Y 8.45 5.20 0.00 3.06 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 0.00 137 I 8.83 5.31 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.91 0.00 0.00 138 I 8.99 5.46 1.98 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 1.20 0.91 1.01 0.00 0.00 139 S 8.61 5.07 0.00 4.14 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 0.00 140 T 8.68 4.84 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 1.32 0.00 0.00 141 S 8.14 4.66 0.00 4.24 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 0.00 142 N 8.89 4.83 0.00 2.89 3.05 0.00 0.00 6.25 7.17 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 0.00 143 G 8.47 3.56 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 0.00 0.00 0.00 144 S 7.39 5.00 0.00 3.97 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 0.00 145 L 7.85 3.38 0.00 0.99 1.38 0.33 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.13 4.01 0.00 1.90 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 2.29 2.41 0.00 147 G 7.56 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 0.00 148 L 7.23 4.08 0.00 1.75 1.77 1.06 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.65 4.76 0.00 2.82 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 0.00 150 N 8.94 4.36 0.00 2.94 2.84 0.00 0.00 7.03 7.62 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 0.00 151 Q 8.69 4.26 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.82 0.00 0.00 0.00 0.00 0.00 2.62 2.28 0.00 152 E 7.89 4.91 0.00 2.11 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 2.20 2.25 0.00 153 G 8.55 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 0.00 154 G 10.29 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 0.00 155 V 8.80 3.16 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 0.71 0.00 0.00 0.93 0.00 0.00 156 C 6.77 3.95 0.00 3.14 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 0.00 157 Q 7.94 4.38 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.62 0.00 0.00 0.00 0.00 0.00 2.20 1.93 0.00 158 T 7.79 4.43 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 1.22 0.00 0.00 159 R 7.93 4.48 0.00 1.77 1.74 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 160 A 7.89 3.92 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 0.00 161 M 7.43 3.75 0.00 1.20 1.67 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.52 0.00 162 K 7.60 5.10 0.00 2.06 1.94 0.00 1.48 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.58 7.81 163 I 9.20 5.24 2.10 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 1.04 0.00 0.00 164 L 8.77 4.97 0.00 1.95 1.57 0.53 0.90 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 0.00 165 M 8.50 4.58 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 166 K 8.54 4.87 0.00 1.68 1.73 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.18 7.81 167 V 8.23 4.44 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 0.88 0.00 0.00 0.88 0.00 0.00 168 G 8.52 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.