NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4021 8.3049 120.3458 55.3239 34.0694 176.3069 2 N 4.3608 7.8592 114.2465 52.8000 39.4049 173.9517 3 A 3.8394 7.7612 122.2745 51.4935 19.4339 175.2983 4 P 4.3625 0.0000 0.0000 62.7124 32.2049 175.1131 5 D 4.4390 8.5012 118.1700 53.2223 41.7906 177.8642 6 R 3.8586 8.7505 123.9206 59.5951 29.9117 178.4937 7 F 4.2804 7.9080 108.2489 58.0411 37.4074 175.2322 8 E 4.3750 7.6347 119.8793 56.7886 29.0838 177.0015 9 L 4.6328 7.3653 118.9941 55.4658 42.4638 177.4749 10 F 4.9476 7.5258 109.3076 56.0718 40.0349 174.3479 11 L 4.3285 6.8578 121.3894 52.9928 41.7805 176.6388 12 L 4.0704 8.4623 124.3644 54.7851 42.2595 177.3845 13 G 4.0146 8.2276 111.3760 43.5959 0.0000 172.6115 14 E 3.7252 8.8484 118.4811 57.9424 29.5865 177.3864 15 G 3.9573 8.6181 112.3771 45.4682 0.0000 171.6062 16 E 4.7192 7.6266 119.2962 55.8092 33.8722 174.9827 17 S 4.8078 8.1273 116.3864 56.2795 66.6995 174.3203 18 K 4.0315 8.7177 122.3753 59.1656 32.6839 176.6940 19 L 4.9891 7.5552 116.5869 51.9997 45.1695 176.5800 20 K 4.3428 8.0176 121.7623 55.5362 35.5135 174.4073 21 I 4.8575 8.4226 128.6202 59.7722 39.3088 174.5901 22 D 5.0713 8.6590 127.7769 51.5670 43.6514 173.9629 23 P 4.7138 0.0000 0.0000 62.1270 32.0402 175.6006 24 D 4.5488 8.3227 124.8568 54.6352 41.0467 176.1250 25 T 4.3663 8.5985 115.0377 62.4827 70.2428 175.7602 26 K 3.8893 8.1053 121.4372 59.1462 32.2047 176.3243 27 A 4.7390 7.6132 117.9930 49.5715 22.3293 173.3845 28 P 4.4215 0.0000 0.0000 63.2157 32.2810 175.7723 29 N 3.9277 8.6256 114.1980 53.7677 36.7130 172.1718 30 A 4.8546 7.2819 120.5781 51.0564 22.9261 174.7857 31 V 4.5370 8.8703 118.9443 61.4373 36.3796 174.5073 32 V 4.8346 8.6416 122.6906 61.2400 33.7519 173.6915 33 I 4.6486 8.9483 129.9829 60.1865 38.8669 175.1291 34 T 4.7410 8.8832 125.2893 62.3534 70.0951 173.9320 35 F 4.4796 9.1158 126.8998 56.2634 40.2000 175.3569 36 E 4.5837 9.1023 124.1658 55.0261 30.9297 176.4514 37 K 3.9420 8.4463 119.7180 57.1826 29.6371 172.5569 38 E 4.8524 7.4219 115.9826 56.1380 34.4636 173.4314 39 D 4.7556 8.6939 115.7544 54.0215 41.8784 174.8728 40 H 4.1050 9.0198 114.6272 60.2322 28.6884 177.6312 41 T 3.7183 7.5068 113.4172 66.3844 68.8362 175.2987 42 L 4.3228 7.9642 122.0107 57.4770 42.4844 178.1125 43 G 2.7949 8.1938 106.9423 46.5013 0.0000 174.7534 44 N 3.1400 7.7277 118.8883 55.6086 39.1274 176.8411 45 L 3.7860 7.5194 120.5959 58.3569 42.2992 178.7687 46 I 3.8405 7.4652 118.4746 63.0376 36.6986 178.2029 47 R 3.8936 7.0966 119.0105 58.7803 30.3280 177.6950 48 A 4.0034 7.9142 120.7084 55.2979 18.4646 179.1775 49 E 3.8324 7.9229 116.2258 59.6900 29.4281 179.5017 50 L 4.0990 7.3538 116.9768 56.9861 42.2058 177.0732 51 L 4.3290 8.1043 119.0225 55.7229 42.5603 176.8129 52 N 4.4378 8.0738 115.2720 56.4171 38.7535 173.3121 53 D 4.4446 8.0562 121.6410 53.7649 40.5378 177.0011 54 R 3.8676 8.5420 124.9787 58.3700 30.6879 177.8461 55 K 4.1847 8.1241 116.6635 57.0700 32.4790 176.2788 56 V 4.2050 8.7115 120.8898 61.6903 30.7302 175.6569 57 L 4.3561 8.9254 129.7673 57.3005 42.3786 177.5589 58 F 5.1377 7.8123 119.3101 57.0369 43.1033 173.1640 59 A 4.8471 7.4674 121.6979 52.0397 21.5730 175.2360 60 A 4.7408 7.6263 123.2885 51.2070 23.1918 173.7945 61 Y 5.4387 8.4284 116.3215 55.8565 42.4272 173.7589 62 K 3.8589 8.3307 115.1195 56.1270 36.2040 174.9232 63 V 4.2622 7.9825 116.6359 60.2761 32.2569 176.2930 64 E 4.0748 8.9247 125.2921 59.5114 29.9176 177.1402 65 H 4.3302 7.9792 114.5033 54.3499 32.7542 172.1618 66 P 4.3010 0.0000 0.0000 66.1670 30.9557 177.1978 67 F 4.3519 8.6399 116.1730 59.5273 38.9277 175.3807 68 F 5.1323 7.9089 117.9398 55.4803 40.7370 175.0786 69 A 4.5765 8.7880 127.5469 52.4116 18.4429 176.7952 70 R 4.7842 8.3396 119.8452 57.4060 31.3023 173.2265 71 F 4.9932 7.8992 113.2311 56.3095 41.7688 172.6832 72 K 5.2382 8.8985 119.4437 54.7158 34.8861 175.1046 73 L 5.3818 9.2873 126.0977 53.3657 45.2820 174.7403 74 R 5.7599 9.1892 127.0738 54.0694 32.4079 174.5606 75 I 5.0280 8.4040 126.2857 59.5083 41.0194 174.1156 76 Q 5.0201 9.4283 127.5165 54.6068 32.3316 174.0412 77 T 5.8400 7.9472 115.0661 58.8541 72.7627 173.4153 78 T 4.1283 8.6111 118.1234 63.1474 69.4125 174.1622 79 E 3.7763 8.9615 126.5922 57.8875 30.1021 177.3707 80 G 3.9018 9.0492 111.0780 45.7914 0.0000 172.9604 81 Y 4.7702 7.6920 120.4955 54.5625 39.9931 173.7394 82 D 4.4531 8.5945 127.3501 53.4610 42.9365 174.8048 83 P 3.8949 0.0000 0.0000 65.6261 31.4606 178.5964 84 K 3.7990 9.3137 119.5285 59.6285 31.8869 178.7096 85 D 4.3459 8.1737 117.9404 57.3641 40.9401 178.3413 86 A 4.3312 7.2517 122.2030 54.4076 18.0450 179.2928 87 L 3.9099 8.0945 117.8543 59.2317 42.5044 178.6791 88 K 3.5451 8.2194 114.9862 60.2085 31.8204 178.3532 89 N 4.0966 8.3599 115.9154 57.0344 38.5968 176.9705 90 A 3.4265 8.1616 121.5700 55.4338 18.4314 179.4982 91 C 4.1297 8.6391 115.3060 62.6567 28.6394 175.5006 92 N 4.2329 8.1338 117.5816 56.6643 38.1266 176.7914 93 S 4.0904 8.8512 115.2025 61.8502 62.4817 176.4782 94 I 3.7273 7.3757 121.3729 64.2905 36.6902 178.4901 95 I 3.6794 8.2625 120.9932 64.3892 37.0386 177.8175 96 N 4.3433 8.6321 117.4703 56.6467 38.5168 177.2404 97 K 3.8696 8.1259 119.4151 59.8714 32.1771 179.2946 98 L 4.0926 7.8370 118.5000 57.6686 41.2962 179.5656 99 G 3.7872 8.5258 105.2956 48.0321 0.0000 175.2118 100 A 4.1125 8.1849 122.8801 54.7799 18.6069 179.1165 101 L 3.8756 8.0048 118.1570 58.4604 41.7998 179.4383 102 K 3.9870 8.5589 119.6947 60.4729 32.0608 178.1272 103 T 4.1473 8.3975 116.9343 65.5230 68.4510 175.9781 104 N 4.2636 8.2508 119.5662 56.3740 38.8304 177.2436 105 F 4.2539 8.2173 121.9577 61.3493 39.5907 177.0218 106 E 4.0230 8.1369 117.9879 60.1668 28.9080 178.8957 107 T 3.8391 8.1829 115.0107 67.6122 68.3334 176.0071 108 E 3.9143 7.8094 119.8697 59.1677 29.8668 179.2684 109 W 4.0162 7.8376 128.5986 60.3847 30.5385 177.9009 110 N 4.4009 8.4032 115.8298 56.0432 37.9630 176.0088 111 L 4.2555 7.2375 116.9635 55.0943 41.4776 176.5191 112 Q 4.4249 7.2886 117.9289 54.3175 30.7017 175.1996 113 T 4.2537 8.4183 116.0543 62.1316 70.7256 171.9888 114 L 3.7892 8.6363 123.0049 53.1527 42.3644 173.6627 *115 A 4.1104 8.4256 126.9281 52.3976 18.8106 175.8801 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 1 M 8.30 4.40 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 N 7.86 4.36 0.00 2.82 2.84 0.00 0.00 6.84 6.46 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 3 A 7.76 3.84 1.20 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 0.00 0.00 4 P 0.00 4.36 0.00 2.06 2.04 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 5 D 8.50 4.44 0.00 2.17 1.54 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 0.00 0.00 0.00 0.00 6 R 8.75 3.86 0.00 1.88 2.14 0.00 3.35 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 7 F 7.91 4.28 0.00 2.78 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 8 E 7.63 4.37 0.00 1.86 1.86 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 2.11 1.71 0.00 9 L 7.37 4.63 0.00 2.21 1.95 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.53 4.95 0.00 3.15 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 11 L 6.86 4.33 0.00 1.69 1.56 0.86 0.43 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 12 L 8.46 4.07 0.00 1.60 1.58 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.23 4.01 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 0.00 0.00 0.00 14 E 8.85 3.73 0.00 1.95 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 2.31 2.32 0.00 15 G 8.62 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 0.00 0.00 0.00 16 E 7.63 4.72 0.00 1.89 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 2.18 2.28 0.00 17 S 8.13 4.81 0.00 3.86 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 18 K 8.72 4.03 0.00 1.63 1.83 0.00 1.70 0.00 0.00 2.00 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.47 7.81 19 L 7.56 4.99 0.00 1.32 1.27 0.70 -0.13 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 20 K 8.02 4.34 0.00 1.69 1.52 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.42 7.81 21 I 8.42 4.86 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.88 0.00 0.00 22 D 8.66 5.07 0.00 2.59 2.54 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 0.00 0.00 0.00 0.00 23 P 0.00 4.71 0.00 2.08 2.08 0.00 3.77 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 1.98 1.96 0.00 24 D 8.32 4.55 0.00 2.81 2.66 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 25 T 8.60 4.37 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 26 K 8.11 3.89 0.00 1.97 1.94 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.58 7.81 27 A 7.61 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.42 0.00 2.20 2.06 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 29 N 8.63 3.93 0.00 2.86 2.80 0.00 0.00 6.78 8.15 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 30 A 7.28 4.85 1.27 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 0.00 0.00 0.00 31 V 8.87 4.54 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 0.99 0.00 0.00 0.92 0.00 0.00 32 V 8.64 4.83 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 0.98 0.00 0.00 0.99 0.00 0.00 33 I 8.95 4.65 2.00 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 1.16 0.58 0.30 0.00 0.00 34 T 8.88 4.74 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 1.17 0.00 0.00 35 F 9.12 4.48 0.00 1.51 2.43 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 36 E 9.10 4.58 0.00 1.86 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 2.23 2.37 0.00 37 K 8.45 3.94 0.00 1.87 1.80 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.38 7.81 38 E 7.42 4.85 0.00 1.94 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 0.00 2.53 2.41 0.00 39 D 8.69 4.76 0.00 2.83 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 40 H 9.02 4.10 0.00 3.23 3.42 0.00 5.93 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.51 3.72 4.40 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 1.21 0.00 0.00 42 L 7.96 4.32 0.00 1.81 1.77 0.98 1.07 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 43 G 8.19 2.79 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 44 N 7.73 3.14 0.00 2.62 2.73 0.00 0.00 7.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.52 3.79 0.00 1.76 1.68 0.85 0.89 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 46 I 7.47 3.84 1.73 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 1.38 1.11 0.95 0.00 0.00 47 R 7.10 3.89 0.00 1.42 1.69 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 48 A 7.91 4.00 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 49 E 7.92 3.83 0.00 2.13 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 2.30 2.46 0.00 50 L 7.35 4.10 0.00 1.90 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.10 4.33 0.00 1.67 1.78 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.07 4.44 0.00 2.89 2.85 0.00 0.00 6.82 7.55 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 53 D 8.06 4.44 0.00 2.73 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 54 R 8.54 3.87 0.00 1.84 2.03 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 55 K 8.12 4.18 0.00 2.25 2.20 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.17 7.81 56 V 8.71 4.20 2.21 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 0.87 0.00 0.00 1.07 0.00 0.00 57 L 8.93 4.36 0.00 1.67 1.79 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.81 5.14 0.00 3.10 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 59 A 7.47 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.63 4.74 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 61 Y 8.43 5.44 0.00 3.07 2.87 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 0.00 0.00 0.00 62 K 8.33 3.86 0.00 1.68 1.78 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.33 7.81 63 V 7.98 4.26 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 0.42 0.00 0.00 0.83 0.00 0.00 64 E 8.92 4.07 0.00 2.02 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 2.35 2.30 0.00 65 H 7.98 4.33 0.00 2.98 2.77 0.00 5.90 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 66 P 0.00 4.30 0.00 2.32 2.20 0.00 3.21 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 67 F 8.64 4.35 0.00 2.23 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 68 F 7.91 5.13 0.00 3.10 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 69 A 8.79 4.58 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 70 R 8.34 4.78 0.00 2.00 1.99 0.00 3.22 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 71 F 7.90 4.99 0.00 3.09 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 72 K 8.90 5.24 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 73 L 9.29 5.38 0.00 2.19 1.98 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.19 5.76 0.00 2.01 1.89 0.00 3.44 0.00 0.00 3.61 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 75 I 8.40 5.03 1.87 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 1.22 0.54 0.88 0.00 0.00 76 Q 9.43 5.02 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 77 T 7.95 5.84 4.37 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 1.10 0.00 0.00 78 T 8.61 4.13 4.36 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 1.26 0.00 0.00 79 E 8.96 3.78 0.00 1.95 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 2.34 2.38 0.00 80 G 9.05 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 81 Y 7.69 4.77 0.00 2.80 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 82 D 8.59 4.45 0.00 2.74 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 83 P 0.00 3.89 0.00 2.22 2.18 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 84 K 9.31 3.80 0.00 1.76 1.90 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.55 7.81 85 D 8.17 4.35 0.00 2.93 2.87 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 0.00 0.00 0.00 86 A 7.25 4.33 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 87 L 8.09 3.91 0.00 1.62 1.95 1.09 0.61 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 88 K 8.22 3.55 0.00 2.20 1.77 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.69 7.81 89 N 8.36 4.10 0.00 2.75 2.90 0.00 0.00 7.05 7.40 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 90 A 8.16 3.43 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 91 C 8.64 4.13 0.00 3.09 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 92 N 8.13 4.23 0.00 2.93 2.91 0.00 0.00 6.66 7.57 0.00 0.00 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 8.85 4.09 0.00 3.89 4.13 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 94 I 7.38 3.73 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.06 0.90 0.00 0.00 95 I 8.26 3.68 2.01 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 1.53 1.19 0.92 0.00 0.00 96 N 8.63 4.34 0.00 2.81 2.89 0.00 0.00 7.11 7.31 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 97 K 8.13 3.87 0.00 1.94 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.80 7.81 98 L 7.84 4.09 0.00 1.97 1.70 0.90 0.75 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 99 G 8.53 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 0.00 100 A 8.18 4.11 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 0.00 101 L 8.00 3.88 0.00 1.91 1.80 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.56 3.99 0.00 1.82 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.47 7.81 103 T 8.40 4.15 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 104 N 8.25 4.26 0.00 2.79 2.96 0.00 0.00 6.54 8.13 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 0.00 105 F 8.22 4.25 0.00 3.26 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 0.00 106 E 8.14 4.02 0.00 2.26 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 2.47 2.73 0.00 107 T 8.18 3.84 4.44 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 1.21 0.00 0.00 108 E 7.81 3.91 0.00 2.06 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 2.32 2.45 0.00 109 W 7.84 4.02 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.40 4.40 0.00 2.86 2.87 0.00 0.00 7.12 7.55 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 0.00 111 L 7.24 4.26 0.00 1.55 1.62 0.89 0.80 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 0.00 112 Q 7.29 4.42 0.00 1.49 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.11 0.00 113 T 8.42 4.25 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 1.14 0.00 0.00 114 L 8.64 3.79 0.00 1.60 1.79 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 *115 A 8.43 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.