NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.6032 8.3027 116.7895 56.2180 31.6282 175.7961 3 Y 4.5289 9.3674 125.9561 59.1042 39.1897 176.4756 4 K 4.1110 8.6144 125.6484 60.6100 32.2532 180.9431 5 K 4.2587 8.1173 124.6367 59.4298 31.7407 180.6685 6 F 4.3691 7.6428 121.4867 61.1665 39.2218 177.4865 7 V 3.2544 7.7476 120.2774 66.6455 31.3225 178.5915 8 E 3.9104 8.0447 117.7419 60.9398 29.5029 180.7157 9 A 4.1372 7.7727 120.8235 54.8391 18.3983 179.7961 10 R 3.6895 7.6821 119.5279 60.0884 30.1754 179.3193 11 R 3.9737 8.1130 123.1442 62.4274 29.3480 181.0617 12 E 4.2755 8.4357 121.7936 61.1662 29.6599 181.6740 13 L 4.1744 7.8783 123.0314 59.6746 40.8361 181.5153 14 N 4.5531 8.1516 118.8688 56.6837 38.5016 177.6912 *15 E 4.1306 7.9913 118.9279 60.8896 29.9705 181.2053 16 K 4.2900 8.0361 120.4799 59.1637 32.2824 180.2820 17 V 3.5949 8.1228 119.4622 64.1965 31.1662 178.3589 *19 S 4.4503 8.5001 114.6390 57.8761 64.3266 177.6310 20 R 4.2916 8.0719 122.7992 56.7848 30.3520 179.8325 21 G 3.7356 7.5779 106.4328 46.2867 0.0000 174.3340 22 T 4.2544 8.0833 111.7239 60.6516 71.3169 175.6125 23 L 4.0182 8.3967 120.5955 58.0790 41.5089 179.6089 24 N 4.4212 8.1215 115.9477 56.5647 38.5604 177.3931 25 T 4.0302 7.9087 117.0057 66.6670 68.5721 176.8893 26 K 3.9897 8.1161 120.3788 59.4587 32.0475 179.5780 27 R 3.9675 8.2160 118.3649 59.2053 29.9494 178.8304 28 F 3.8983 8.4694 120.2966 61.4245 39.5488 177.1401 29 F 4.0783 8.8945 117.4461 60.6333 38.5839 177.2276 30 N 4.3846 8.4421 116.7795 56.5119 38.7447 176.7540 31 L 3.8259 8.0055 121.9154 58.0064 41.9047 178.2999 32 D 4.1802 7.6867 117.2814 57.4024 41.2543 178.0466 33 S 4.3489 8.0763 113.0705 61.2679 62.4459 175.8295 34 A 4.0285 8.2008 123.8053 55.3470 17.9359 179.8252 35 V 3.6100 7.6289 108.9775 63.4037 31.6350 177.1674 36 Y 4.4709 7.3578 114.6901 56.9797 38.7030 176.0960 37 R 4.2009 7.3632 120.2055 55.0735 30.8544 174.9025 38 P 4.7718 0.0000 0.0000 63.1126 33.1303 175.8878 39 G 4.1912 8.2344 111.7432 45.0504 0.0000 176.0550 40 K 4.0939 9.0055 124.4782 58.1652 32.2066 176.7628 41 L 4.5194 7.6820 119.2327 53.2748 43.0910 176.0799 42 D 5.0032 8.3571 123.2741 52.5149 41.9563 177.9429 43 V 3.6583 8.1899 119.8081 64.8174 31.2901 178.1768 44 K 3.9075 8.0653 119.8260 59.5289 32.0303 178.6733 45 T 3.8685 8.4617 116.0374 66.7169 68.3378 176.8318 46 K 4.0809 8.2808 120.3990 59.5939 32.0591 179.3722 47 E 4.0478 8.8123 119.3651 59.3014 29.3076 179.3633 48 L 4.0290 8.2646 119.3603 57.9997 41.5608 179.4411 49 M 4.1925 8.4150 118.9130 58.2866 31.8117 178.8888 50 G 3.5549 8.5822 106.2718 47.6714 0.0000 175.4264 51 L 3.9549 7.9247 122.6806 57.8222 42.1807 179.1253 52 V 3.5711 7.9566 117.9518 66.0543 31.5676 177.7685 53 A 4.0229 8.2356 120.5800 55.4884 18.2766 179.8728 54 S 4.1665 8.4108 113.7879 61.7682 62.8189 177.2181 55 T 3.9218 8.1058 118.6790 66.7834 68.1176 177.4986 56 V 3.7295 7.7231 112.7641 63.7503 31.6231 177.6775 57 L 4.2659 7.6851 116.1275 53.6987 42.5709 176.3744 58 R 3.3879 7.6101 116.9848 57.5083 27.7381 176.8385 59 C 4.7289 7.9880 118.6622 54.8251 45.4694 173.5595 60 D 4.3053 8.7076 128.2430 57.6603 40.5277 178.5226 61 D 4.3118 8.0386 118.7496 57.3866 40.8157 179.4334 62 C 4.4032 8.1243 116.8141 59.8639 40.3685 175.7767 63 I 3.7035 8.0125 121.7059 64.5467 36.7180 178.5144 64 R 3.4641 7.8237 118.7426 59.1868 29.7354 178.3676 65 Y 4.2235 7.8312 119.0081 61.3840 38.8682 178.1284 66 H 4.1253 8.4870 116.9054 58.4288 28.6692 177.9053 67 L 3.9845 8.2597 121.4404 57.6924 41.4190 179.4059 68 V 3.6122 7.9591 118.1685 66.3438 31.4610 178.3371 69 R 3.9716 7.6261 117.4419 59.2828 29.7521 178.8131 70 C 4.0805 8.4411 116.9876 62.7885 28.1427 176.3132 71 V 3.4974 7.8699 119.7436 66.2218 30.9017 177.9643 72 Q 4.0157 8.1230 116.7229 58.7626 28.5745 177.8840 73 E 4.4697 8.0424 116.9110 55.9487 29.6021 177.0754 74 G 3.8113 7.9405 106.7213 45.5082 0.0000 174.0467 75 A 4.2504 7.8298 122.5446 51.7849 19.0220 179.1408 76 S 4.4821 9.0284 117.4697 57.4944 65.7960 175.4067 77 D 3.7732 8.3232 122.4848 57.3174 40.4496 178.6962 78 E 3.9559 7.9359 119.1520 59.3455 29.6507 178.6283 79 E 3.9356 8.0923 118.4060 59.5003 29.4707 179.3482 80 I 3.6606 7.6654 119.8106 64.5548 37.0984 178.6025 81 F 4.5625 8.2929 118.9175 60.6177 38.3158 177.6551 82 E 4.0222 8.5856 118.2872 59.2167 29.3385 179.2725 83 A 4.0862 8.1114 120.9630 55.2246 18.4238 179.7512 84 L 4.0588 8.3466 117.7324 57.9387 41.6299 179.4703 85 D 4.3930 8.4340 119.1842 57.2498 40.7019 178.8584 86 I 3.6903 7.5298 118.8355 64.3246 37.0738 178.1822 87 A 4.0036 7.8630 121.2194 55.0911 18.1855 179.4010 88 L 3.8746 8.2567 119.0584 58.3542 41.9927 179.4236 89 V 3.5779 7.6467 116.7440 66.0101 31.5629 177.8884 90 V 3.8300 7.8456 117.0269 65.6563 31.5438 177.6251 91 G 3.8615 8.3587 103.4891 44.4140 0.0000 174.2091 92 G 3.9896 8.1788 107.8991 44.8179 0.0000 174.3806 93 S 4.1749 8.4011 112.6006 60.6697 62.6202 176.0119 94 I 3.8141 7.7258 115.6580 63.3875 37.4919 177.7522 95 V 3.8755 8.0292 114.5356 63.4820 31.3108 178.0397 96 I 3.6938 7.7227 120.4850 64.2435 37.0652 176.3336 97 P 4.2041 0.0000 0.0000 65.9436 31.0328 178.4157 98 H 4.2173 8.0785 114.6281 58.5430 28.6614 177.3947 99 L 3.9730 8.2161 122.4458 57.9307 41.8966 178.9189 100 R 3.8701 8.2807 119.0021 59.6723 30.0550 178.7768 101 R 3.9611 7.9833 117.4166 59.0596 29.9199 178.9137 102 A 4.0753 8.3106 120.8848 55.2851 18.4008 179.9095 103 V 3.7779 8.2558 117.1455 65.9967 31.5734 178.4499 104 G 3.6657 8.2285 105.6413 47.8160 0.0000 175.4996 105 F 4.2454 8.4906 123.2785 60.8657 39.3574 176.9009 106 L 3.8296 8.3399 120.2955 58.2438 41.8489 178.8113 107 E 3.9205 8.3802 118.5280 59.3071 29.3761 178.9085 108 E 3.8451 8.0616 119.3153 59.2374 29.5926 178.9111 109 L 3.6405 7.5542 118.9024 57.8025 41.6070 179.7663 110 R 3.8090 8.1404 118.3046 59.0260 29.8891 178.8063 111 E 3.8914 8.2276 119.2890 59.2923 29.5503 178.5468 112 M 4.0808 7.9347 118.8012 58.4435 32.0570 178.2164 113 E 3.8034 8.1900 119.3519 59.2372 29.5749 178.4922 114 K 3.7991 8.0528 118.5006 59.7512 32.3051 177.6060 115 N 4.6657 8.1024 113.0881 52.9662 38.6324 175.6572 116 G 3.8337 7.6331 108.4295 46.2159 0.0000 173.1720 117 E 4.4092 8.0879 119.4412 54.4959 30.4898 176.6632 118 T 3.8082 8.4324 120.9429 63.7868 68.9752 173.7872 119 I 4.0676 8.1388 127.3926 59.9867 37.3997 174.9258 120 S 4.7847 8.6948 118.7259 56.6688 65.7330 173.8181 121 L 4.3812 8.4707 122.8889 54.9396 41.9336 176.6190 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 2 E 8.30 4.60 0.00 1.91 1.93 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 2.21 1.88 0.00 3 Y 9.37 4.53 0.00 3.26 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 4 K 8.61 4.11 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.08 7.81 5 K 8.12 4.26 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 6 F 7.64 4.37 0.00 3.24 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 7 V 7.75 3.25 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 0.97 0.00 0.00 0.61 0.00 0.00 8 E 8.04 3.91 0.00 2.05 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 0.00 2.24 2.20 0.00 9 A 7.77 4.14 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 10 R 7.68 3.69 0.00 1.42 1.77 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 11 R 8.11 3.97 0.00 1.84 1.94 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 12 E 8.44 4.28 0.00 1.97 1.99 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 2.24 2.19 0.00 13 L 7.88 4.17 0.00 1.66 1.70 0.92 0.74 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 14 N 8.15 4.55 0.00 2.68 2.91 0.00 0.00 7.01 7.28 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 *15 E 7.99 4.13 0.00 2.08 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 2.26 2.19 0.00 16 K 8.04 4.29 0.00 1.93 1.95 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 17 V 8.12 3.59 1.75 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 0.35 0.00 0.00 0.17 0.00 0.00 *19 S 8.50 4.45 0.00 3.70 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 20 R 8.07 4.29 0.00 1.77 1.85 0.00 3.24 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 21 G 7.58 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.08 4.25 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 1.20 0.00 0.00 23 L 8.40 4.02 0.00 1.72 1.78 0.92 0.61 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 24 N 8.12 4.42 0.00 2.76 2.92 0.00 0.00 7.16 7.05 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 25 T 7.91 4.03 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 1.21 0.00 0.00 26 K 8.12 3.99 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.54 7.81 27 R 8.22 3.97 0.00 2.17 2.02 0.00 3.25 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 28 F 8.47 3.90 0.00 3.19 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 29 F 8.89 4.08 0.00 3.26 3.14 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 30 N 8.44 4.38 0.00 2.91 2.99 0.00 0.00 6.83 6.41 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 31 L 8.01 3.83 0.00 1.78 1.47 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.69 4.18 0.00 2.44 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 33 S 8.08 4.35 0.00 4.03 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 34 A 8.20 4.03 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 35 V 7.63 3.61 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 0.61 0.00 0.00 0.50 0.00 0.00 36 Y 7.36 4.47 0.00 3.02 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 37 R 7.36 4.20 0.00 1.95 1.89 0.00 3.19 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 38 P 0.00 4.77 0.00 2.19 2.07 0.00 3.75 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 1.98 0.00 39 G 8.23 4.19 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 0.00 40 K 9.01 4.09 0.00 1.75 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.40 7.81 41 L 7.68 4.52 0.00 1.70 1.58 0.91 1.04 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 42 D 8.36 5.00 0.00 2.96 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 43 V 8.19 3.66 2.12 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 1.03 0.00 0.00 1.04 0.00 0.00 44 K 8.07 3.91 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 45 T 8.46 3.87 4.46 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 1.23 0.00 0.00 46 K 8.28 4.08 0.00 1.94 2.03 0.00 1.90 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.69 7.81 47 E 8.81 4.05 0.00 1.97 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 2.56 2.50 0.00 48 L 8.26 4.03 0.00 1.86 1.73 0.92 0.95 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 49 M 8.42 4.19 0.00 2.10 2.33 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 2.83 2.58 0.00 50 G 8.58 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.92 3.95 0.00 1.88 1.91 0.97 0.78 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 52 V 7.96 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.07 0.00 0.00 53 A 8.24 4.02 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 54 S 8.41 4.17 0.00 4.07 3.97 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 55 T 8.11 3.92 4.38 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 1.24 0.00 0.00 56 V 7.72 3.73 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 0.87 0.00 0.00 1.01 0.00 0.00 57 L 7.69 4.27 0.00 1.72 1.70 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.61 3.39 0.00 1.88 1.68 0.00 3.13 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 59 C 7.99 4.73 0.00 2.93 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 60 D 8.71 4.31 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 61 D 8.04 4.31 0.00 2.73 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 62 C 8.12 4.40 0.00 3.13 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 63 I 8.01 3.70 2.00 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 1.54 0.88 0.93 0.00 0.00 64 R 7.82 3.46 0.00 1.14 0.66 0.00 2.53 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 65 Y 7.83 4.22 0.00 3.34 3.09 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 66 H 8.49 4.13 0.00 3.25 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.26 3.98 0.00 2.04 1.84 1.14 1.09 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 68 V 7.96 3.61 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 1.26 0.00 0.00 1.38 0.00 0.00 69 R 7.63 3.97 0.00 1.75 1.83 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.91 0.00 70 C 8.44 4.08 0.00 3.04 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 71 V 7.87 3.50 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 0.94 0.00 0.00 0.88 0.00 0.00 72 Q 8.12 4.02 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 73 E 8.04 4.47 0.00 1.97 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 2.47 2.46 0.00 74 G 7.94 3.81 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 0.00 0.00 0.00 75 A 7.83 4.25 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 76 S 9.03 4.48 0.00 3.96 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 77 D 8.32 3.77 0.00 2.48 1.99 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 78 E 7.94 3.96 0.00 2.03 1.92 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 2.52 2.47 0.00 79 E 8.09 3.94 0.00 2.16 1.95 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 2.31 2.32 0.00 80 I 7.67 3.66 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.87 0.00 0.00 81 F 8.29 4.56 0.00 3.00 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 82 E 8.59 4.02 0.00 2.19 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 2.38 2.58 0.00 83 A 8.11 4.09 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 84 L 8.35 4.06 0.00 1.96 1.81 1.13 1.42 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 85 D 8.43 4.39 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.53 3.69 2.06 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 1.47 0.75 0.93 0.00 0.00 87 A 7.86 4.00 1.35 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 88 L 8.26 3.87 0.00 1.84 1.86 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.65 3.58 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 0.86 0.00 0.00 1.00 0.00 0.00 90 V 7.85 3.83 2.17 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 0.88 0.00 0.00 0.95 0.00 0.00 91 G 8.36 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 92 G 8.18 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.40 4.17 0.00 4.06 4.14 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 94 I 7.73 3.81 1.89 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 1.65 0.48 0.92 0.00 0.00 95 V 8.03 3.88 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 0.75 0.00 0.00 0.97 0.00 0.00 96 I 7.72 3.69 1.98 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 1.52 0.78 0.90 0.00 0.00 97 P 0.00 4.20 0.00 2.03 2.04 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 98 H 8.08 4.22 0.00 3.34 3.36 0.00 5.62 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 99 L 8.22 3.97 0.00 1.78 1.85 0.96 0.68 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 0.00 100 R 8.28 3.87 0.00 1.90 2.10 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 101 R 7.98 3.96 0.00 2.05 1.95 0.00 3.15 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 102 A 8.31 4.08 1.46 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 0.00 103 V 8.26 3.78 2.12 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 1.05 0.00 0.00 1.00 0.00 0.00 104 G 8.23 3.67 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 0.00 0.00 0.00 105 F 8.49 4.25 0.00 3.21 3.24 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 0.00 106 L 8.34 3.83 0.00 1.91 1.91 0.86 1.26 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 0.00 107 E 8.38 3.92 0.00 2.22 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 2.36 2.49 0.00 108 E 8.06 3.85 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 109 L 7.55 3.64 0.00 1.63 1.45 0.70 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.14 3.81 0.00 1.87 1.92 0.00 3.25 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 111 E 8.23 3.89 0.00 2.10 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 2.27 2.35 0.00 112 M 7.93 4.08 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 113 E 8.19 3.80 0.00 2.06 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 0.00 2.25 2.26 0.00 114 K 8.05 3.80 0.00 1.79 2.00 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 115 N 8.10 4.67 0.00 2.88 2.92 0.00 0.00 7.11 7.21 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 0.00 116 G 7.63 3.83 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 0.00 0.00 0.00 117 E 8.09 4.41 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 118 T 8.43 3.81 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 119 I 8.14 4.07 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.46 0.83 0.00 0.00 120 S 8.69 4.78 0.00 3.83 3.76 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 0.00 121 L 8.47 4.38 0.00 1.71 1.56 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.