NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2703 8.3149 120.0851 55.2911 33.6662 175.8606 4 I 4.4283 7.3802 120.7205 58.8978 38.4910 171.3680 5 R 4.7965 7.8203 125.3410 55.0236 32.9009 174.9685 6 I 4.7946 8.1375 119.3258 59.7000 40.2389 174.4754 7 K 4.4923 9.3941 127.9316 56.3527 33.3496 176.5785 8 L 5.0035 8.5586 121.6438 53.2160 41.7938 176.0243 9 R 5.4290 7.7724 119.8516 54.6518 32.0666 176.5126 10 G 3.7995 7.4712 106.0193 47.0940 0.0000 172.3179 11 F 5.0991 8.3469 115.8840 59.0770 41.2546 176.0967 12 D 4.6066 8.1273 121.4548 54.4116 41.1772 175.5168 13 H 4.7951 8.9913 122.6476 55.6263 28.7814 175.9539 14 K 4.6302 8.2969 118.3354 58.1312 37.3709 178.4731 15 T 3.9257 9.2994 113.9247 63.9728 67.6626 174.6328 16 L 4.5070 7.7557 120.1951 56.0905 43.1579 177.7342 17 D 4.5326 8.0613 115.7928 55.6887 40.8091 176.2770 18 A 4.5848 7.5511 120.2854 51.6233 20.3494 177.3592 19 S 4.3181 7.4280 111.0254 60.4798 62.2025 175.4999 20 A 4.0653 7.7265 126.3505 54.4681 18.5628 178.8166 21 Q 4.0232 8.0420 117.4876 58.7169 29.4648 177.4464 22 K 4.3344 7.7660 118.2347 57.9238 32.7101 178.2017 23 I 4.0012 7.5272 117.4348 62.4118 37.1795 176.6734 24 V 4.4465 7.7138 120.6565 61.7980 31.5322 174.5455 25 E 4.1800 8.4352 117.9124 56.5030 30.0027 176.2207 26 A 4.5894 7.6188 121.0790 51.1049 18.5927 174.8724 27 A 4.5929 7.9203 121.8830 53.7539 21.9244 178.8869 28 R 4.1751 7.9994 111.3602 57.5180 30.5594 177.5006 29 R 4.5894 7.5541 115.2224 55.6119 31.0473 175.0837 30 S 4.5693 7.6027 113.5662 58.6377 68.1535 175.7124 31 G 3.9799 7.9793 109.5974 44.2204 0.0000 172.2804 32 A 4.3391 8.4518 120.9437 53.9045 19.5361 177.6749 33 Q 4.4912 7.8819 111.4190 55.6747 35.6402 171.9283 34 V 3.2588 7.8353 122.8429 62.3109 32.2655 172.5606 35 S 4.1852 8.9220 120.3508 58.6796 62.4376 175.7181 36 G 3.5027 7.5820 109.5113 46.0009 0.0000 171.1871 37 P 4.4002 0.0000 0.0000 62.1369 31.4152 175.3561 38 I 4.2823 8.1892 117.8600 58.3391 38.8139 173.1502 39 P 4.7577 0.0000 0.0000 62.0103 30.3223 174.8639 40 L 4.5219 8.3589 129.1427 53.8053 43.2023 174.3426 41 P 4.4640 0.0000 0.0000 63.5239 31.8828 175.7648 42 T 4.5642 8.3480 118.6421 62.4538 69.7664 175.0098 43 R 4.3479 8.5356 124.5749 55.1532 30.9496 175.0132 44 V 4.2498 8.1772 124.3086 61.7684 32.9643 175.6653 45 R 4.4907 8.3800 126.1928 55.2179 33.1665 175.1116 46 R 5.3871 7.1886 117.3195 55.7222 34.0716 176.0279 47 F 4.8244 8.8306 121.7069 55.8133 39.8283 172.7185 48 T 4.4697 8.2025 117.7217 63.2292 69.3272 173.9349 49 V 4.5314 8.5915 125.8268 60.7149 35.5357 174.5255 50 I 3.5078 8.6942 127.3590 62.6638 36.7493 175.9992 51 R 3.1798 9.0401 122.8245 59.8468 30.5403 178.3824 52 G 3.9394 7.9376 110.7761 43.9549 0.0000 170.9509 53 P 4.3733 0.0000 0.0000 62.0754 32.4384 176.2808 54 F 2.9388 9.6089 114.3598 60.4045 37.8857 175.6809 55 K 3.4371 9.1436 127.3897 59.5273 33.7577 174.3729 56 H 4.2189 8.9831 116.8585 57.1600 25.4705 176.6125 57 K 3.9459 8.2902 119.0276 59.1363 32.2040 176.5436 58 D 4.7135 7.9366 117.9391 54.7506 42.7344 175.2101 59 S 4.5137 8.1161 116.0249 57.2746 60.3416 175.9303 60 R 4.9140 9.3603 116.2568 57.6950 29.2490 174.4053 61 E 4.5992 8.4053 122.0112 54.6354 33.1417 173.7556 62 H 5.2315 8.1217 118.7205 54.1721 32.2928 173.0606 63 F 5.2977 8.4056 118.5658 57.0516 43.9657 172.4208 64 E 5.3468 8.1832 115.5866 58.1438 30.8958 175.1569 65 L 4.1653 8.5959 116.7797 55.3294 43.3374 174.8932 66 R 3.6372 7.9976 116.8397 55.4720 29.2080 176.2085 67 T 5.3090 8.1125 121.0162 61.5328 69.9024 174.6671 68 H 4.6715 8.6331 123.7499 55.7467 30.5067 174.6147 69 N 5.5747 8.3331 115.0004 52.3649 43.1226 174.0254 70 R 5.3028 8.4162 119.2772 54.1318 34.4375 175.3115 71 L 4.8305 8.1053 116.9736 52.5962 44.3085 176.2721 72 V 3.2858 8.8045 118.2335 58.7896 31.3619 167.0657 73 D 5.0859 7.8531 125.5068 53.4752 41.7956 173.0813 74 I 4.6618 8.0684 126.1167 59.3755 39.8879 175.9455 75 I 3.9155 8.1516 123.9203 60.7916 36.3785 171.2678 76 N 4.1860 8.7986 132.4034 51.9656 40.5026 173.6729 77 P 4.6248 0.0000 0.0000 62.3421 29.1258 175.5943 78 N 4.4121 7.7853 118.7238 54.7872 39.5643 176.1332 79 R 4.6296 8.3955 117.5449 56.1151 30.3791 176.7896 80 K 4.6553 7.3532 118.6736 55.9736 32.8893 175.4730 81 T 4.5011 7.6843 116.3018 64.3010 75.5792 175.5190 82 I 4.1398 7.2966 122.8773 61.7267 36.5358 176.5577 83 E 4.4975 8.0796 118.9600 58.2755 31.9953 178.0616 84 Q 4.0506 7.7233 116.4035 59.1482 29.4295 177.7709 85 L 4.3464 7.5829 117.0774 54.4013 40.6874 175.3756 86 M 4.2430 7.4661 116.8054 56.0130 34.2547 176.3563 87 T 4.5778 7.7329 113.5097 60.5511 70.0490 173.4107 88 L 4.1982 7.3909 117.6320 54.2064 43.8601 173.5851 89 D 5.0896 8.3532 122.8838 51.1635 42.3758 175.4181 90 L 4.6850 8.1470 116.7769 53.8250 43.8392 174.6347 91 P 4.3361 0.0000 0.0000 63.1267 31.2435 175.0392 92 T 4.0195 7.8665 120.2277 65.4991 69.3036 175.8108 93 G 3.7875 7.7902 116.1882 45.5585 0.0000 174.4165 94 V 4.2030 7.1355 116.8075 60.9412 34.8155 174.9161 95 E 4.4348 8.6503 129.2150 55.4279 31.4899 174.8600 96 I 4.7110 8.0220 125.4726 58.5254 40.5876 174.7938 97 E 4.3612 8.7897 127.9022 55.0944 30.4886 175.5964 98 I 4.3253 8.2911 120.4205 59.3463 36.5596 175.6466 99 K 4.6023 8.3628 134.6622 58.0964 32.9129 177.7587 100 T 4.1438 7.8415 115.9046 60.9552 69.8659 178.0877 *101 V 3.9936 8.1434 114.7023 62.8846 32.3498 171.2861 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 3 K 8.31 4.27 0.00 1.72 1.88 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 4 I 7.38 4.43 2.09 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 1.23 1.01 0.91 0.00 0.00 5 R 7.82 4.80 0.00 1.89 1.94 0.00 3.37 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 6 I 8.14 4.79 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 1.22 0.69 0.91 0.00 0.00 7 K 9.39 4.49 0.00 1.68 1.77 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.43 7.81 8 L 8.56 5.00 0.00 1.66 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.77 5.43 0.00 1.75 1.85 0.00 3.46 0.00 0.00 3.08 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.42 0.00 10 G 7.47 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 0.00 0.00 0.00 11 F 8.35 5.10 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 12 D 8.13 4.61 0.00 2.76 2.62 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 13 H 8.99 4.80 0.00 3.09 3.15 0.00 5.57 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.30 4.63 0.00 1.89 1.74 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.16 0.96 7.81 15 T 9.30 3.93 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 16 L 7.76 4.51 0.00 1.75 1.67 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.06 4.53 0.00 2.61 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 18 A 7.55 4.58 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 19 S 7.43 4.32 0.00 4.19 3.82 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 20 A 7.73 4.07 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 21 Q 8.04 4.02 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 22 K 7.77 4.33 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 23 I 7.53 4.00 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.91 0.00 0.00 24 V 7.71 4.45 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 0.70 0.00 0.00 0.93 0.00 0.00 25 E 8.44 4.18 0.00 2.07 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 2.27 2.30 0.00 26 A 7.62 4.59 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 27 A 7.92 4.59 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 28 R 8.00 4.18 0.00 1.81 1.99 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 29 R 7.55 4.59 0.00 1.75 1.92 0.00 3.29 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 30 S 7.60 4.57 0.00 4.21 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 31 G 7.98 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 0.00 0.00 0.00 32 A 8.45 4.34 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 33 Q 7.88 4.49 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.06 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 34 V 7.84 3.26 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 0.99 0.00 0.00 0.93 0.00 0.00 35 S 8.92 4.19 0.00 4.36 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 36 G 7.58 3.50 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 0.00 37 P 0.00 4.40 0.00 2.19 2.09 0.00 3.75 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 1.98 1.95 0.00 38 I 8.19 4.28 1.88 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 1.47 0.90 0.97 0.00 0.00 39 P 0.00 4.76 0.00 2.11 2.15 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 40 L 8.36 4.52 0.00 1.71 1.70 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.46 0.00 2.12 2.05 0.00 3.82 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 2.00 2.01 0.00 42 T 8.35 4.56 4.27 0.00 0.00 0.00 0.00 0.00 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 43 R 8.54 4.35 0.00 1.75 1.90 0.00 3.28 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 44 V 8.18 4.25 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 0.81 0.00 0.00 0.93 0.00 0.00 45 R 8.38 4.49 0.00 1.78 1.38 0.00 3.24 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 46 R 7.19 5.39 0.00 1.45 1.64 0.00 3.22 0.00 0.00 3.93 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 47 F 8.83 4.82 0.00 2.99 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 48 T 8.20 4.47 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 49 V 8.59 4.53 2.20 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 1.05 0.00 0.00 1.14 0.00 0.00 50 I 8.69 3.51 1.90 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 1.36 0.67 1.02 0.00 0.00 51 R 9.04 3.18 0.00 1.82 1.84 0.00 3.19 0.00 0.00 3.23 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 52 G 7.94 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 0.00 0.00 0.00 53 P 0.00 4.37 0.00 2.27 2.14 0.00 3.90 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 54 F 9.61 2.94 0.00 3.15 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 55 K 9.14 3.44 0.00 2.14 2.21 0.00 1.89 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.68 7.81 56 H 8.98 4.22 0.00 3.49 3.52 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.29 3.95 0.00 1.85 1.96 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 58 D 7.94 4.71 0.00 2.66 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 59 S 8.12 4.51 0.00 3.96 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 60 R 9.36 4.91 0.00 1.94 2.13 0.00 3.27 0.00 0.00 3.82 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 61 E 8.41 4.60 0.00 1.89 1.60 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 1.54 2.02 0.00 62 H 8.12 5.23 0.00 2.88 3.03 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.41 5.30 0.00 3.20 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 64 E 8.18 5.35 0.00 2.12 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 2.27 2.29 0.00 65 L 8.60 4.17 0.00 1.72 1.59 0.96 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.00 3.64 0.00 1.78 1.85 0.00 3.41 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 67 T 8.11 5.31 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 1.38 0.00 0.00 68 H 8.63 4.67 0.00 3.12 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.33 5.57 0.00 2.62 2.66 0.00 0.00 7.36 7.66 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 70 R 8.42 5.30 0.00 1.67 1.76 0.00 3.57 0.00 0.00 3.38 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 71 L 8.11 4.83 0.00 1.54 1.63 0.93 1.11 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 72 V 8.80 3.29 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 73 D 7.85 5.09 0.00 2.96 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 74 I 8.07 4.66 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 0.77 0.91 0.00 0.00 75 I 8.15 3.92 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 1.30 0.49 0.91 0.00 0.00 76 N 8.80 4.19 0.00 2.84 2.81 0.00 0.00 7.25 7.69 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 77 P 0.00 4.62 0.00 2.21 2.09 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 78 N 7.79 4.41 0.00 2.77 2.80 0.00 0.00 6.91 7.66 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 79 R 8.40 4.63 0.00 1.79 1.94 0.00 3.14 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 80 K 7.35 4.66 0.00 1.64 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.47 7.81 81 T 7.68 4.50 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 1.26 0.00 0.00 82 I 7.30 4.14 1.92 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 1.30 0.60 0.91 0.00 0.00 83 E 8.08 4.50 0.00 1.88 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 2.19 2.34 0.00 84 Q 7.72 4.05 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.59 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 85 L 7.58 4.35 0.00 1.63 1.64 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.47 4.24 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 87 T 7.73 4.58 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 88 L 7.39 4.20 0.00 1.57 1.57 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.35 5.09 0.00 2.72 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 90 L 8.15 4.68 0.00 1.55 1.63 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.34 0.00 2.19 2.03 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 92 T 7.87 4.02 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 93 G 7.79 3.79 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 0.00 0.00 0.00 94 V 7.14 4.20 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 0.81 0.00 0.00 0.89 0.00 0.00 95 E 8.65 4.43 0.00 2.01 1.71 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 2.31 2.30 0.00 96 I 8.02 4.71 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.58 0.95 0.00 0.00 97 E 8.79 4.36 0.00 1.88 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 0.00 2.33 2.24 0.00 98 I 8.29 4.33 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 1.34 0.54 0.90 0.00 0.00 99 K 8.36 4.60 0.00 1.60 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.37 7.81 100 T 7.84 4.14 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 *101 V 8.14 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.