NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2479 8.3144 120.1327 55.9708 33.5263 174.6042 3 E 3.9480 8.4255 121.7407 55.2845 30.3232 174.2505 4 D 4.6149 8.3401 126.5350 53.5629 42.6651 176.8981 5 T 3.9167 8.3744 114.1847 63.0312 69.2256 176.0722 6 I 3.5995 7.7191 122.6392 64.0506 38.0844 176.2628 7 E 3.9736 8.3674 117.1920 57.4339 29.4116 176.2099 8 I 3.9884 7.3755 121.6799 60.2490 36.8475 175.5238 9 A 4.1009 8.5127 129.5120 52.3223 19.0789 176.6950 10 G 3.8838 6.2890 101.8651 46.3995 0.0000 171.3854 11 F 5.1801 8.1740 117.3411 55.8138 43.5376 174.0347 12 H 5.3244 8.8788 118.1077 53.9994 31.7467 172.9467 13 A 5.0397 9.1562 124.7163 50.7417 21.5191 175.4035 14 H 4.7456 9.2225 120.4655 54.0267 30.8856 174.1198 15 V 3.9303 7.4833 125.0789 61.3625 31.7723 175.0646 16 Y 4.6359 8.4076 126.6349 57.8227 38.9019 174.8988 17 F 5.0870 8.1302 116.6581 56.4096 41.8915 172.1105 18 D 4.9990 9.2885 118.2330 50.6283 42.3414 175.9527 19 A 4.1478 9.0374 119.3679 55.8791 17.7929 179.5562 20 A 4.0750 7.7715 116.5481 54.4524 18.7204 178.9636 21 S 4.7103 8.1683 109.9331 58.3810 63.5672 175.9799 22 R 3.9494 7.8763 123.7892 60.0249 29.7829 178.1438 23 D 4.3663 8.1092 118.2614 57.1909 40.9009 178.5096 24 V 3.6356 7.9469 118.1282 66.1290 31.5383 177.7038 25 A 4.1528 8.4036 120.2228 55.2555 18.2133 179.4993 26 A 4.2414 8.4131 119.3968 55.4587 18.4463 180.1475 27 R 3.9725 8.2181 116.7343 59.3569 30.1276 179.4500 28 V 3.9540 8.2593 118.3103 66.0100 31.5470 178.0851 29 R 3.9325 8.2759 118.6003 59.4148 29.9089 178.1559 30 E 3.9976 8.4454 119.3174 59.1058 29.0997 178.9047 31 G 3.6244 8.3649 105.8593 47.7133 0.0000 175.6582 32 L 3.8582 8.0070 121.4973 57.5092 41.5498 179.9676 33 G 3.6105 7.9394 103.3897 47.0817 0.0000 175.0320 34 A 4.0938 7.5573 122.2926 53.9704 18.7234 178.7830 35 R 3.8684 6.7876 113.9348 55.4124 31.5998 176.1081 36 F 4.9133 6.7918 114.8244 55.3031 42.3130 175.3271 37 E 4.3818 8.9579 122.4754 55.6818 27.9081 176.4866 38 V 4.9456 7.8524 115.1952 59.5641 36.5389 174.7581 39 Q 4.6342 9.2813 121.8388 54.3423 30.9973 174.7407 40 L 4.8367 8.6302 124.9577 53.7195 42.9529 177.2577 41 G 4.2134 8.8452 113.1058 44.8604 0.0000 173.2527 42 R 4.2887 8.4818 115.5506 55.6835 31.0370 175.6412 43 W 4.6032 8.5627 130.4588 56.4735 31.4949 175.5098 44 F 4.9064 8.6314 124.8228 55.8876 39.2868 176.1935 45 D 4.8200 9.1827 126.6234 56.0748 41.1335 176.8348 46 K 4.7358 7.7906 116.7789 53.2769 35.0665 174.0319 47 P 4.3376 0.0000 0.0000 63.0090 31.9722 176.0163 48 I 4.4483 7.5091 121.3053 60.2187 42.2537 175.3122 49 G 2.3609 7.8016 115.4693 45.7714 0.0000 174.8027 50 P 4.2801 0.0000 0.0000 64.0807 30.4987 175.2564 51 H 4.8307 7.9727 118.7344 54.7227 29.3038 173.6959 52 P 4.4610 0.0000 0.0000 62.3155 31.6181 175.0711 53 K 4.4411 7.6423 117.9918 54.9381 35.0185 175.1253 54 G 3.6608 8.3224 110.8608 46.5163 0.0000 171.7375 *56 Y 5.0201 8.2302 117.4833 56.7851 39.9256 173.4594 57 Q 4.8661 8.1552 118.7889 54.6459 31.8058 174.4409 58 V 4.9407 8.8110 124.9142 61.2377 34.6725 173.8667 59 A 5.3638 9.1575 130.4877 50.5420 21.5978 175.3039 60 F 5.2750 8.3725 114.6150 55.5138 41.9250 174.2161 61 L 4.5863 8.7714 119.9173 53.8682 42.5493 176.4316 62 P 4.8255 0.0000 0.0000 65.9384 30.9703 178.1629 63 N 4.6760 8.3214 113.3068 54.5900 37.6231 175.7787 64 Q 4.3958 8.2875 120.1108 56.0548 29.5154 176.9669 65 F 4.0408 8.4430 123.5865 60.9582 39.2661 175.6710 66 D 4.5493 7.9573 114.9321 53.7897 39.8479 176.9886 67 K 4.1597 7.1533 119.2180 58.5068 33.3777 178.3776 68 V 2.3426 7.1038 118.3266 65.5228 31.0705 178.3991 69 V 3.2920 6.6629 116.3087 65.4606 31.4298 175.9074 70 P 4.2778 0.0000 0.0000 65.0748 31.4025 178.0624 71 W 4.2956 7.8581 126.9200 60.2059 31.0163 179.8686 72 L 3.9931 8.1372 121.0008 54.2759 40.3382 179.0456 *74 L 4.1970 7.9055 119.4599 54.2907 43.5002 177.8032 75 N 4.6455 7.4153 113.3749 52.3442 39.6570 176.0397 76 R 3.7006 7.9609 116.2983 57.0082 30.0165 176.2411 77 E 3.7491 8.4476 118.0775 57.5427 27.4313 175.7903 78 G 3.9950 8.1837 104.3085 45.3266 0.0000 173.7874 79 L 4.2953 7.6604 119.7572 54.6436 42.5208 176.1150 80 D 5.1866 8.6194 121.6428 53.8868 42.9323 175.6532 81 I 5.1210 9.1715 123.2365 59.7414 41.5918 173.9764 82 L 3.6852 8.5457 130.0522 53.9935 43.3578 175.3835 83 V 5.0250 8.4856 126.6041 61.3141 34.1101 173.8893 84 H 5.4342 9.1228 123.0412 53.1078 32.0692 171.3591 85 P 4.5344 0.0000 0.0000 62.5271 33.0704 175.3546 86 E 4.7188 8.5737 119.6969 54.9073 31.4262 176.6338 87 T 4.7512 8.7831 112.9252 59.8456 69.5958 175.1137 88 G 3.8966 8.6222 109.2610 45.9582 0.0000 173.8478 89 D 4.6588 7.6591 119.4663 50.6573 41.5494 175.5340 90 A 4.0434 8.3721 126.1006 54.6681 18.5524 179.2546 91 V 3.4398 7.6309 115.9722 66.3910 31.6814 178.3505 92 S 3.7827 8.2568 114.8303 61.4167 62.3099 176.2851 93 D 4.4986 8.3455 121.0595 57.8870 40.6633 178.3179 94 H 4.3164 8.0431 114.9664 58.1915 28.9708 177.0582 95 A 4.3603 8.0567 121.4095 53.2677 19.0292 177.9703 96 V 4.0925 7.7397 115.2459 64.3137 33.2622 175.8851 97 Y 4.8068 7.7020 113.7527 57.9678 38.0392 175.1493 98 S 5.0394 7.7878 115.7195 57.1592 65.4686 172.5657 99 L 5.0910 8.7991 119.3154 53.9970 44.2664 175.2570 100 W 5.4249 8.7752 118.1399 55.0015 32.7162 174.7342 101 L 4.5926 9.5198 124.6161 53.8061 43.0807 176.0676 102 G 4.0535 9.2287 109.8683 45.7503 0.0000 173.1580 103 A 4.5204 9.3184 127.2291 49.5972 20.7943 176.5255 104 A 2.0000 7.9915 126.0460 51.4430 18.8885 176.7964 105 L 4.0538 5.6200 120.2319 52.7887 43.8125 176.4084 106 A 4.3527 7.9265 123.3238 50.7684 18.6550 177.3015 107 L 4.3694 8.2085 122.2870 55.0834 41.3951 178.2311 108 N 4.6121 8.9424 121.2778 52.9690 37.9983 175.8275 109 I 3.9773 8.0034 128.5236 63.7846 37.4579 177.2783 110 E 3.9238 8.3038 119.8488 59.1213 29.1374 178.3917 111 F 4.0549 8.4342 120.2058 61.2986 39.5403 176.8563 112 L 4.0442 7.4563 116.2479 57.6428 41.3614 179.4828 113 R 3.8423 8.0343 118.0918 59.4489 29.8267 178.7082 114 Q 3.8355 8.0525 118.2014 59.2693 28.9799 178.2295 115 L 3.9456 7.0714 118.8724 57.1989 41.6292 177.1573 116 S 4.0811 8.0511 117.6998 58.4373 62.6798 173.1670 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 K 8.31 4.25 0.00 1.75 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.37 7.81 3 E 8.43 3.95 0.00 1.93 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 0.00 2.01 2.47 0.00 4 D 8.34 4.61 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.37 3.92 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 I 7.72 3.60 1.83 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 1.44 0.65 0.87 0.00 0.00 7 E 8.37 3.97 0.00 2.10 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 0.00 2.24 2.15 0.00 8 I 7.38 3.99 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.36 0.07 0.00 0.00 9 A 8.51 4.10 1.18 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 10 G 6.29 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.17 5.18 0.00 1.71 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 12 H 8.88 5.32 0.00 2.56 2.91 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 9.16 5.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 9.22 4.75 0.00 2.79 2.56 0.00 5.60 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.48 3.93 0.67 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 0.61 0.00 0.00 0.75 0.00 0.00 16 Y 8.41 4.64 0.00 3.13 2.84 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 0.00 0.00 0.00 17 F 8.13 5.09 0.00 3.11 3.06 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 18 D 9.29 5.00 0.00 2.92 2.84 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 0.00 0.00 0.00 19 A 9.04 4.15 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 20 A 7.77 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 21 S 8.17 4.71 0.00 4.22 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 22 R 7.88 3.95 0.00 2.34 2.10 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 23 D 8.11 4.37 0.00 2.77 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 24 V 7.95 3.64 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 1.12 0.00 0.00 0.98 0.00 0.00 25 A 8.40 4.15 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 26 A 8.41 4.24 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 27 R 8.22 3.97 0.00 2.12 2.07 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 28 V 8.26 3.95 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 1.33 0.00 0.00 1.15 0.00 0.00 29 R 8.28 3.93 0.00 1.75 1.99 0.00 2.21 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 30 E 8.45 4.00 0.00 2.05 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 0.00 2.27 2.45 0.00 31 G 8.36 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.01 3.86 0.00 1.92 1.76 1.14 0.84 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 33 G 7.94 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 34 A 7.56 4.09 1.25 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 0.00 0.00 0.00 35 R 6.79 3.87 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.12 0.00 36 F 6.79 4.91 0.00 2.86 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 37 E 8.96 4.38 0.00 2.04 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 2.34 2.31 0.00 38 V 7.85 4.95 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 0.78 0.00 0.00 0.97 0.00 0.00 39 Q 9.28 4.63 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 40 L 8.63 4.84 0.00 1.53 1.60 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.85 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 0.00 0.00 0.00 0.00 42 R 8.48 4.29 0.00 1.59 1.95 0.00 3.07 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.20 0.00 43 W 8.56 4.60 0.00 3.46 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 44 F 8.63 4.91 0.00 3.11 3.15 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 45 D 9.18 4.82 0.00 2.91 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 46 K 7.79 4.74 0.00 2.06 1.73 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 0.98 7.81 47 P 0.00 4.34 0.00 1.99 2.15 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 48 I 7.51 4.45 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 0.79 1.26 0.07 0.00 0.00 49 G 7.80 2.36 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 0.00 50 P 0.00 4.28 0.00 2.06 2.30 0.00 3.44 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 1.45 1.78 0.00 51 H 7.97 4.83 0.00 3.30 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.46 0.00 2.07 2.18 0.00 3.69 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 1.72 1.93 0.00 53 K 7.64 4.44 0.00 1.61 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.37 7.81 54 G 8.32 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 Y 8.23 5.02 0.00 3.03 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 57 Q 8.16 4.87 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 58 V 8.81 4.94 2.26 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 1.03 0.00 0.00 1.18 0.00 0.00 59 A 9.16 5.36 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 60 F 8.37 5.28 0.00 3.13 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 61 L 8.77 4.59 0.00 1.86 1.72 0.97 1.08 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 62 P 0.00 4.83 0.00 2.25 2.27 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 63 N 8.32 4.68 0.00 2.92 3.02 0.00 0.00 5.95 7.39 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 64 Q 8.29 4.40 0.00 2.35 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.81 0.00 65 F 8.44 4.04 0.00 3.11 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 D 7.96 4.55 0.00 2.86 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 67 K 7.15 4.16 0.00 1.58 1.73 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.42 7.81 68 V 7.10 2.34 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 0.00 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 69 V 6.66 3.29 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 0.57 0.00 0.00 0.28 0.00 0.00 70 P 0.00 4.28 0.00 2.01 2.05 0.00 3.51 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 71 W 7.86 4.30 0.00 3.51 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 72 L 8.14 3.99 0.00 1.87 1.69 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 *74 L 7.91 4.20 0.00 1.52 1.60 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.42 4.65 0.00 1.44 1.72 0.00 0.00 6.61 7.70 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 76 R 7.96 3.70 0.00 2.03 2.28 0.00 3.20 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 77 E 8.45 3.75 0.00 2.06 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 2.23 2.36 0.00 78 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 79 L 7.66 4.30 0.00 1.79 1.71 1.08 1.09 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 80 D 8.62 5.19 0.00 2.80 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 81 I 9.17 5.12 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.93 0.00 0.00 82 L 8.55 3.69 0.00 0.35 1.32 0.05 0.57 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 83 V 8.49 5.03 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 1.24 0.00 0.00 0.93 0.00 0.00 84 H 9.12 5.43 0.00 3.43 3.27 0.00 5.51 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.53 0.00 1.88 1.94 0.00 4.03 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 86 E 8.57 4.72 0.00 1.68 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 87 T 8.78 4.75 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 1.13 0.00 0.00 88 G 8.62 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.66 4.66 0.00 2.50 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.37 4.04 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 91 V 7.63 3.44 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 1.08 0.00 0.00 0.88 0.00 0.00 92 S 8.26 3.78 0.00 3.66 2.90 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 0.00 0.00 0.00 93 D 8.35 4.50 0.00 2.76 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 94 H 8.04 4.32 0.00 3.06 3.35 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.06 4.36 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 96 V 7.74 4.09 1.58 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 0.80 0.00 0.00 0.78 0.00 0.00 97 Y 7.70 4.81 0.00 3.01 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 98 S 7.79 5.04 0.00 3.84 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.80 5.09 0.00 1.81 1.85 0.94 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 100 W 8.78 5.42 0.00 3.18 3.13 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 0.00 101 L 9.52 4.59 0.00 1.65 1.62 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 G 9.23 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.32 4.52 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.99 2.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 5.62 4.05 0.00 1.26 1.27 0.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.93 4.35 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.37 0.00 1.71 1.63 1.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.94 4.61 0.00 2.67 2.66 0.00 0.00 7.27 8.06 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 0.00 109 I 8.00 3.98 1.87 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 1.68 0.76 0.89 0.00 0.00 110 E 8.30 3.92 0.00 2.08 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 0.00 2.38 2.43 0.00 111 F 8.43 4.05 0.00 3.02 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 0.00 112 L 7.46 4.04 0.00 1.80 1.63 0.66 0.90 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 0.00 113 R 8.03 3.84 0.00 1.96 1.94 0.00 3.22 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 114 Q 8.05 3.84 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 115 L 7.07 3.95 0.00 1.70 1.63 0.72 0.45 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 0.00 116 S 8.05 4.08 0.00 3.71 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.