NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3517 0.0000 0.0000 62.6656 32.7776 176.4309 6 T 4.1218 7.9703 110.6914 60.4251 71.1581 174.3240 7 I 3.6099 8.3557 121.8930 64.7167 37.4758 179.0983 8 N 4.2247 8.2140 117.0814 56.9483 38.6687 176.3378 9 Q 3.9931 8.3649 119.5210 59.1838 28.8759 179.0694 10 L 3.9775 7.8267 119.6299 58.0239 41.4799 179.8823 11 V 3.6602 7.7921 116.9233 65.8123 31.4745 176.9777 12 R 3.9891 8.3463 117.8891 57.1425 29.5275 177.7147 13 K 3.8216 6.9086 123.2530 59.8857 33.0005 178.9385 14 G 4.0136 7.7335 102.0336 45.1500 0.0000 172.7558 15 R 4.3056 8.0983 117.2526 54.9175 31.2705 176.0583 16 E 4.4454 8.3803 121.9598 54.0142 30.4155 175.6476 17 K 4.0732 8.4731 128.1551 56.0519 32.2633 176.1441 18 V 3.3202 7.6478 119.0010 60.2532 32.0160 172.2408 19 R 4.0833 8.0687 127.7659 55.9120 31.2779 175.9621 20 K 4.6079 8.2930 122.9220 54.6296 35.3930 175.9262 21 K 4.0454 8.4200 120.2056 55.4161 31.8951 176.1918 22 S 4.0091 8.7286 120.2022 58.1640 61.7331 174.7237 23 K 3.9240 8.4664 129.1931 58.2285 32.0408 177.0503 24 V 4.0745 7.3042 117.7617 61.6419 32.8500 172.9251 25 P 4.5354 0.0000 0.0000 62.0144 29.5951 176.4219 26 A 4.1245 7.8660 121.7824 52.5431 18.8778 177.9615 27 L 3.3831 6.7708 122.2925 55.8933 41.5886 175.7454 28 K 4.1677 9.2950 116.2026 61.6217 29.4286 175.9864 29 G 3.7253 7.7210 106.6397 46.5329 0.0000 174.5725 30 A 4.4007 7.8180 123.7468 50.4156 20.3299 176.6048 31 P 4.0225 0.0000 0.0000 65.2164 31.5155 176.9277 32 F 5.1248 7.6304 112.8312 56.0731 43.3200 173.7281 33 R 4.7440 8.7335 120.1772 54.6331 33.5636 174.2922 34 R 4.9414 8.5423 124.8672 55.7706 32.3946 175.0116 35 G 4.5113 8.6686 110.7678 45.6973 0.0000 171.6869 36 V 4.9867 8.5875 119.5556 60.7263 34.6929 174.6741 37 C 4.6208 8.9641 125.3150 60.6988 28.2324 172.3112 38 T 4.3858 9.0823 116.5012 63.3011 68.7350 174.0428 39 V 4.4759 7.6578 119.8023 61.2790 35.2674 174.3470 40 V 4.6623 8.2465 124.1575 61.5441 32.6235 173.3441 41 R 4.9268 8.4642 128.2211 54.2496 34.0006 172.8769 42 T 5.0681 8.3519 112.5473 61.0950 70.0426 174.5746 43 V 4.5247 8.7489 122.4054 60.1895 34.7415 174.6564 44 T 4.9646 8.1220 111.4223 59.3983 70.9141 172.6541 45 P 4.6850 0.0000 0.0000 61.8588 32.2874 177.0376 46 K 4.4691 8.1460 121.4941 55.6768 30.5322 176.8726 47 K 3.5275 8.3695 112.5712 58.9965 31.9069 173.9041 48 P 4.7474 0.0000 0.0000 62.5266 32.2446 175.1816 49 N 5.0060 7.0262 116.4266 52.5904 41.2215 173.6721 50 S 4.4268 7.5074 108.4609 57.7787 65.0203 175.3144 51 A 4.3551 7.8126 127.1116 52.8134 22.7848 175.8601 52 L 4.9754 8.1816 111.6315 53.0750 42.3373 176.0350 53 R 4.2386 8.9897 121.4056 56.0542 31.9211 175.8804 54 K 4.7952 8.6313 122.9845 55.9282 33.4676 176.3492 55 V 5.0476 8.7036 117.1950 59.7496 37.0697 174.2553 56 A 4.8299 9.0263 122.8010 50.4508 22.6287 175.6650 57 K 4.6225 8.6670 122.9335 56.1041 33.6856 176.2712 58 V 4.7430 9.0349 125.2491 60.8675 34.5823 174.3291 59 R 4.4835 9.1599 129.3108 55.7548 30.7453 176.0334 60 L 4.6499 7.9914 126.1518 54.4539 42.2688 177.7615 61 T 4.0595 8.3114 109.9011 64.3075 69.1311 174.9561 62 S 4.5814 7.9917 117.3940 58.4782 63.6034 176.8030 63 G 3.4973 8.4100 108.3668 48.2643 0.0000 174.8759 64 Y 4.1713 8.6265 117.6680 59.8032 38.3390 173.6476 65 E 5.4798 8.1942 116.1550 57.1858 32.5348 177.0273 66 V 4.8154 7.8614 119.2013 59.5911 35.4125 174.7807 67 T 4.6629 8.5895 113.0170 61.9755 70.2959 173.1627 68 A 5.1455 9.0518 124.7476 50.7173 23.3809 174.4710 69 Y 4.6078 8.8365 121.0556 56.9654 40.7756 174.8274 70 I 4.3279 7.0164 127.0711 58.8812 37.6867 174.0435 71 P 4.5684 0.0000 0.0000 63.1552 31.8794 177.2557 72 G 4.1862 8.9317 108.9856 45.2328 0.0000 172.3155 73 E 4.3973 8.6628 118.1140 55.5751 30.4645 176.5481 74 G 4.1613 9.8449 111.8669 46.0332 0.0000 172.3368 75 H 4.7468 7.9228 113.3065 55.4565 30.9463 172.9161 76 N 5.0219 8.4994 112.3120 52.5862 37.0054 174.4145 77 L 4.7160 8.0177 116.8012 53.7932 44.9629 176.5154 78 Q 4.8129 8.9296 122.9295 53.6374 31.8437 175.6579 79 E 4.1459 8.8325 118.3108 59.3832 29.5660 176.9351 80 H 4.9918 7.9942 113.4152 55.8138 31.0765 173.0809 81 S 4.7590 8.0778 115.9359 57.7527 64.1651 173.9878 82 V 4.3457 8.8091 126.1450 63.0033 32.5311 175.2155 83 V 4.9658 9.2481 126.3129 60.4456 35.4434 173.0817 84 L 5.0070 8.4792 123.4325 53.9303 44.3711 174.8842 85 I 4.9150 8.6717 125.7820 60.0150 39.5878 175.7232 86 R 4.3438 10.1272 128.1698 57.7199 31.4721 175.3173 87 G 3.8042 10.4798 110.5700 45.9207 0.0000 171.8499 88 G 3.9399 7.8529 110.7911 44.0534 0.0000 172.6953 89 R 4.0682 8.2991 122.2246 56.0270 30.1625 176.2954 90 V 4.0313 7.6571 116.2622 61.2948 32.7923 175.1287 91 K 4.6239 8.3939 131.5860 54.7173 29.9280 174.5019 92 D 4.5465 7.1846 128.8924 54.0952 44.1673 174.8040 93 L 4.4944 7.2547 120.4262 51.5381 41.3255 172.9811 94 P 4.3677 0.0000 0.0000 64.1632 31.9512 175.1907 95 G 4.2798 9.1587 113.8092 46.2421 0.0000 174.4538 96 V 3.8643 7.8373 120.7698 62.1555 31.7135 176.0470 97 R 4.6621 8.2508 123.2139 55.8465 33.0086 174.5087 98 Y 4.9344 7.9101 116.1993 56.6849 42.6641 173.7780 99 H 5.3987 9.0180 118.3123 54.2720 32.2329 173.5484 100 I 4.6634 8.3912 122.4018 60.4926 38.3588 176.2043 101 V 3.6963 8.8943 127.9637 62.5383 31.6585 175.3340 102 R 3.7601 8.3199 128.3818 57.8938 30.0786 177.6513 103 G 4.1257 8.8437 110.4328 44.1246 0.0000 173.0169 104 V 4.0174 6.8921 118.3431 61.7883 34.3011 176.3557 105 Y 3.7244 8.2359 123.6167 58.4628 36.0031 170.4459 106 D 4.4228 8.3735 121.1223 57.3152 41.0152 176.5653 107 A 4.0358 8.0045 123.3849 51.3122 18.2882 177.6074 108 A 4.3118 8.6635 127.1361 52.5553 19.6096 176.0777 109 G 4.1232 8.1809 106.4492 46.0029 0.0000 173.4564 110 V 4.4362 8.8477 123.6166 60.5850 33.6553 176.5234 111 K 3.8602 8.6990 129.9191 57.7756 32.4124 175.9888 112 D 4.5288 8.8438 125.9559 55.1020 37.9033 173.2861 113 R 4.4032 7.6129 119.4593 55.0452 30.8237 176.1159 114 K 4.6169 8.3948 122.8237 56.4601 35.4595 178.0786 115 K 4.5802 7.5589 124.9935 55.3664 30.9679 178.5647 116 S 4.2027 8.7630 124.3140 60.4819 62.8161 174.0947 117 R 4.9025 8.3676 121.0243 54.4129 32.1176 176.2003 118 S 4.0970 7.9576 112.7474 61.2878 62.7795 173.8813 119 K 4.0013 7.7674 119.1067 58.3897 32.5211 177.6768 120 Y 3.6904 8.2793 118.1240 57.5826 35.6210 169.8587 121 G 4.1378 7.5345 106.0757 45.2933 0.0000 173.4097 122 T 4.2954 7.4329 116.8807 61.6786 69.2841 175.5957 123 K 4.0979 8.4896 125.7604 56.0012 32.7920 176.4520 124 K 4.1039 8.3576 121.5163 55.8684 32.6423 174.2227 125 P 4.8678 0.0000 0.0000 60.8732 33.9151 173.5812 126 K 4.5455 8.1782 118.5414 54.9693 33.5797 175.8676 127 E 4.0212 8.7872 123.7052 56.7014 30.5623 176.3472 128 A 3.4828 7.7793 119.7205 52.8709 15.5798 176.6713 *129 A 4.1172 7.6530 126.3230 51.8561 18.9464 177.0460 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 5 P 0.00 4.35 0.00 2.19 2.12 0.00 3.72 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 1.88 1.96 0.00 6 T 7.97 4.12 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 7 I 8.36 3.61 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 1.52 0.92 0.91 0.00 0.00 8 N 8.21 4.22 0.00 2.75 2.83 0.00 0.00 7.07 7.12 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 9 Q 8.36 3.99 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 10 L 7.83 3.98 0.00 1.88 1.72 0.92 0.85 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 11 V 7.79 3.66 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 0.83 0.00 0.00 0.93 0.00 0.00 12 R 8.35 3.99 0.00 1.91 1.75 0.00 3.24 0.00 0.00 3.22 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 13 K 6.91 3.82 0.00 1.86 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 G 7.73 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 15 R 8.10 4.31 0.00 1.81 1.86 0.00 3.35 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 16 E 8.38 4.45 0.00 1.91 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 2.27 0.00 17 K 8.47 4.07 0.00 1.75 1.69 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.65 3.32 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.07 4.08 0.00 1.95 2.00 0.00 3.17 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 K 8.29 4.61 0.00 1.84 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.34 7.81 21 K 8.42 4.05 0.00 1.74 1.81 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 22 S 8.73 4.01 0.00 3.84 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 23 K 8.47 3.92 0.00 1.70 1.74 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 24 V 7.30 4.07 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 0.99 0.00 0.00 0.59 0.00 0.00 25 P 0.00 4.54 0.00 2.20 2.23 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 26 A 7.87 4.12 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 27 L 6.77 3.38 0.00 1.68 1.61 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.30 4.17 0.00 1.81 2.20 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 29 G 7.72 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.82 4.40 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 31 P 0.00 4.02 0.00 2.05 1.81 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 32 F 7.63 5.12 0.00 2.88 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 33 R 8.73 4.74 0.00 1.87 1.67 0.00 3.25 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 34 R 8.54 4.94 0.00 2.06 1.79 0.00 2.88 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 35 G 8.67 4.51 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 0.00 0.00 0.00 36 V 8.59 4.99 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 0.88 0.00 0.00 0.90 0.00 0.00 37 C 8.96 4.62 0.00 3.03 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 38 T 9.08 4.39 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 1.34 0.00 0.00 39 V 7.66 4.48 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 0.94 0.00 0.00 0.94 0.00 0.00 40 V 8.25 4.66 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 0.94 0.00 0.00 0.96 0.00 0.00 41 R 8.46 4.93 0.00 1.84 1.78 0.00 3.27 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 42 T 8.35 5.07 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 1.23 0.00 0.00 43 V 8.75 4.52 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 0.82 0.00 0.00 1.00 0.00 0.00 44 T 8.12 4.96 4.26 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 1.23 0.00 0.00 45 P 0.00 4.68 0.00 1.97 2.31 0.00 3.68 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 2.04 2.11 0.00 46 K 8.15 4.47 0.00 2.00 1.27 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.35 7.81 47 K 8.37 3.53 0.00 1.74 1.67 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 48 P 0.00 4.75 0.00 2.21 2.10 0.00 3.77 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 1.91 1.96 0.00 49 N 7.03 5.01 0.00 2.72 2.80 0.00 0.00 6.64 7.23 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 50 S 7.51 4.43 0.00 3.77 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 51 A 7.81 4.36 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 52 L 8.18 4.98 0.00 1.51 1.59 0.94 0.88 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 53 R 8.99 4.24 0.00 1.98 2.21 0.00 3.26 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.96 0.00 54 K 8.63 4.80 0.00 1.62 1.64 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.58 7.81 55 V 8.70 5.05 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 0.89 0.00 0.00 1.03 0.00 0.00 56 A 9.03 4.83 1.15 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 57 K 8.67 4.62 0.00 1.69 1.76 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 58 V 9.03 4.74 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 0.94 0.00 0.00 0.98 0.00 0.00 59 R 9.16 4.48 0.00 1.92 1.89 0.00 3.19 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 60 L 7.99 4.65 0.00 1.68 1.69 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.31 4.06 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 1.23 0.00 0.00 62 S 7.99 4.58 0.00 4.18 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 63 G 8.41 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 64 Y 8.63 4.17 0.00 2.90 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 65 E 8.19 5.48 0.00 1.93 1.79 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 2.12 2.11 0.00 66 V 7.86 4.82 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 0.84 0.00 0.00 0.61 0.00 0.00 67 T 8.59 4.66 4.31 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 1.25 0.00 0.00 68 A 9.05 5.15 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 69 Y 8.84 4.61 0.00 3.06 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 70 I 7.02 4.33 1.68 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 0.91 0.42 0.77 0.00 0.00 71 P 0.00 4.57 0.00 1.80 1.75 0.00 3.69 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 2.02 2.11 0.00 72 G 8.93 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 73 E 8.66 4.40 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 74 G 9.84 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 0.00 0.00 0.00 0.00 75 H 7.92 4.75 0.00 3.21 3.28 0.00 5.53 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.50 5.02 0.00 2.81 2.85 0.00 0.00 5.68 7.79 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 77 L 8.02 4.72 0.00 1.54 1.58 0.88 1.00 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 78 Q 8.93 4.81 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 79 E 8.83 4.15 0.00 1.97 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 2.33 2.60 0.00 80 H 7.99 4.99 0.00 2.96 3.24 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.08 4.76 0.00 3.81 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 82 V 8.81 4.35 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 0.69 0.00 0.00 0.85 0.00 0.00 83 V 9.25 4.97 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 0.70 0.00 0.00 0.95 0.00 0.00 84 L 8.48 5.01 0.00 1.41 1.38 0.57 1.11 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 85 I 8.67 4.91 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 1.06 0.81 0.92 0.00 0.00 86 R 10.13 4.34 0.00 1.91 2.17 0.00 3.38 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 87 G 10.48 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 88 G 7.85 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 89 R 8.30 4.07 0.00 1.92 1.86 0.00 2.98 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 90 V 7.66 4.03 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 0.78 0.00 0.00 0.55 0.00 0.00 91 K 8.39 4.62 0.00 1.69 1.71 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.47 7.81 92 D 7.18 4.55 0.00 2.71 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 93 L 7.25 4.49 0.00 1.75 1.62 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.37 0.00 2.04 2.04 0.00 3.65 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 2.04 2.12 0.00 95 G 9.16 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 0.00 0.00 0.00 0.00 96 V 7.84 3.86 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 1.19 0.00 0.00 1.00 0.00 0.00 97 R 8.25 4.66 0.00 1.56 1.40 0.00 3.05 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 98 Y 7.91 4.93 0.00 2.91 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 99 H 9.02 5.40 0.00 3.16 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.39 4.66 2.02 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 1.13 0.52 0.89 0.00 0.00 101 V 8.89 3.70 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.97 0.00 0.00 102 R 8.32 3.76 0.00 1.77 1.82 0.00 3.46 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 103 G 8.84 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 0.00 0.00 0.00 104 V 6.89 4.02 1.48 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 -0.32 0.00 0.00 0.62 0.00 0.00 105 Y 8.24 3.72 0.00 3.38 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 0.00 106 D 8.37 4.42 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.04 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 0.00 108 A 8.66 4.31 1.39 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 0.00 0.00 109 G 8.18 4.12 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 0.00 0.00 0.00 110 V 8.85 4.44 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 0.99 0.00 0.00 1.22 0.00 0.00 111 K 8.70 3.86 0.00 1.81 1.73 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 112 D 8.84 4.53 0.00 2.88 2.80 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 0.00 113 R 7.61 4.40 0.00 1.65 1.87 0.00 2.97 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 114 K 8.39 4.62 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.39 7.81 115 K 7.56 4.58 0.00 1.66 1.38 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.36 7.81 116 S 8.76 4.20 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.37 4.90 0.00 1.76 2.11 0.00 3.46 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 118 S 7.96 4.10 0.00 3.87 3.85 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 0.00 119 K 7.77 4.00 0.00 2.23 1.61 0.00 1.89 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.63 7.81 120 Y 8.28 3.69 0.00 3.29 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 0.00 121 G 7.53 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 0.00 0.00 0.00 122 T 7.43 4.30 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 1.32 0.00 0.00 123 K 8.49 4.10 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.38 7.81 124 K 8.36 4.10 0.00 1.69 1.70 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 125 P 0.00 4.87 0.00 2.18 2.03 0.00 3.79 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 1.88 1.90 0.00 126 K 8.18 4.55 0.00 1.70 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.60 7.81 127 E 8.79 4.02 0.00 1.99 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 2.28 2.24 0.00 128 A 7.78 3.48 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 *129 A 7.65 4.12 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 * Residues marked with a * may have inaccurate shift predictions.