NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.5239 8.1776 115.3184 58.3221 64.3046 174.4396 15 S 4.2122 8.1123 114.0626 58.7953 62.7402 173.0770 16 H 4.7122 8.2672 118.0393 57.2316 30.1416 176.5561 17 T 4.4074 7.2119 107.0896 63.2201 70.4291 176.0469 18 V 3.6603 7.9401 122.4831 65.1492 31.9888 177.3909 19 G 3.9185 8.2450 108.0169 48.4753 0.0000 175.0144 20 P 4.4337 0.0000 0.0000 62.1217 31.8356 178.6680 *22 L 4.0656 8.2057 118.9171 54.8923 43.4955 178.8028 23 A 3.1907 8.2658 120.1135 55.0011 18.0245 179.1746 24 A 3.2014 7.8699 118.3115 55.4300 18.5966 179.4920 25 N 4.1568 7.9939 113.7887 56.5141 38.5476 177.3721 26 A 3.9426 8.0052 122.4206 55.0115 18.4456 179.4423 27 F 4.3350 7.8949 120.8572 60.8796 38.8804 177.1396 28 L 3.9299 8.2182 118.9871 58.1857 41.3708 179.6882 29 Q 4.0063 7.8951 117.2860 58.5336 28.6771 178.3321 30 L 3.8611 8.0793 121.7583 58.1480 42.1039 179.0008 31 L 3.8916 7.6366 118.8740 57.6661 41.4970 179.4927 32 E 3.9257 7.7268 117.4095 59.4570 29.3492 178.8661 33 Q 4.0147 8.5202 118.6024 58.4329 29.0511 177.7260 34 K 4.3959 7.6685 116.0035 54.7385 32.8245 175.3656 35 N 4.1963 7.8629 116.4837 54.7512 37.6722 174.3316 36 L 4.5455 7.6429 113.8447 54.0086 42.8547 178.5503 37 F 3.9092 8.2435 122.4842 61.3417 39.5787 176.8935 38 D 4.3307 8.1813 118.7715 57.1013 40.8241 177.3503 39 K 4.0624 7.6248 118.6781 57.8691 32.4961 176.1872 40 T 4.4064 7.2156 115.7290 63.8933 68.4686 174.1535 41 Q 4.6752 9.0072 125.0603 55.6583 31.3377 175.9302 42 R 4.8462 7.9692 118.5833 54.6458 33.9200 173.6344 43 V 5.2359 8.7328 124.2012 61.0751 34.8385 174.3068 44 K 4.9462 9.6383 127.9255 54.6172 35.5836 174.7128 45 V 4.3111 8.7545 126.4345 60.8700 34.4789 174.0029 46 E 4.6856 7.9356 125.3997 54.4922 32.7701 174.9980 47 L 4.7596 8.2568 124.4707 53.1828 44.8974 175.0978 48 Y 4.7862 8.5914 118.5801 55.2870 42.7957 177.4998 49 G 4.1528 9.2136 109.7501 45.3924 0.0000 177.3256 50 S 4.2915 9.0918 117.7461 60.9244 62.8032 176.1834 51 L 4.2880 8.0544 122.4634 57.8768 41.2761 179.0552 52 A 4.3547 7.8177 119.5066 54.9880 18.3950 179.0609 53 L 4.3001 7.8708 117.6012 56.3590 43.0995 177.5388 54 T 4.4822 7.2639 112.0608 61.0284 67.1461 174.1721 55 G 3.5860 7.9950 115.7865 43.5020 0.0000 169.6140 56 K 3.6344 7.3103 119.1796 58.2720 32.0117 177.5050 57 G 3.9385 9.5000 114.3700 46.0997 0.0000 173.2954 58 H 4.7409 8.1807 115.9753 55.9043 29.2382 174.8943 59 G 4.1460 7.4435 111.1835 46.9622 0.0000 177.3377 60 T 4.2610 8.2405 116.7510 65.8362 68.5139 176.8384 61 D 4.0434 8.0813 120.9444 56.2318 39.6210 178.0889 62 K 3.7358 8.1221 120.9505 59.1344 32.0533 178.2926 63 A 4.0117 8.1395 120.7384 55.2353 18.3014 179.7519 64 I 3.8236 8.2026 118.6303 64.4808 37.0286 178.6746 65 L 4.0011 8.0055 118.7250 58.0402 41.7971 178.9555 66 N 4.5546 8.0361 116.1991 56.4306 38.4354 177.7692 67 G 3.9333 8.1775 106.9791 47.1324 0.0000 175.1704 68 L 4.2159 8.2549 121.7550 56.7695 41.9666 177.5255 69 E 4.5371 7.8368 116.5802 56.1984 29.8380 175.9448 70 N 4.5638 8.0388 117.0546 53.3119 38.7395 174.3588 71 K 4.1643 7.6869 115.5792 56.7973 33.0156 175.7888 72 A 4.6531 7.9886 121.2976 51.2263 21.7597 175.5622 73 P 4.4817 0.0000 0.0000 63.4024 32.3394 176.8556 74 E 4.2485 8.1086 118.3121 58.7195 30.3847 176.9225 75 T 4.0234 8.1036 114.0264 66.6070 68.5456 174.9440 76 V 3.8187 7.5715 118.8311 61.2172 32.3132 174.7845 77 D 4.7380 8.3405 120.8579 52.0896 41.9035 175.4928 78 P 4.2303 0.0000 0.0000 65.5954 31.7185 177.6114 79 A 4.0600 8.1587 120.9391 54.5492 18.9814 177.4273 80 S 4.4174 7.6187 112.4863 58.1831 62.9904 175.8618 *82 I 4.0384 7.6233 121.9061 61.9210 39.4260 176.0714 83 P 4.2980 0.0000 0.0000 65.6713 31.4276 179.9894 84 R 4.2097 7.8732 117.7297 56.6994 29.4445 178.0363 *86 H 4.7015 8.3975 114.5584 55.4951 30.7951 175.6306 87 E 4.0442 8.4178 118.9423 59.4312 29.0109 179.6475 88 I 3.8213 7.7451 119.6776 64.4028 37.0285 178.2767 89 L 4.1040 7.9104 117.8369 57.9284 41.5828 178.6047 90 D 4.5073 8.2526 117.0871 57.5443 41.3364 178.2644 91 S 4.3208 8.2569 112.0467 58.6588 63.6576 173.5672 92 N 4.5320 7.7199 118.6043 52.9007 36.7419 173.2238 93 L 5.2072 8.0468 116.4468 52.7931 44.5297 175.8853 94 L 4.5450 9.0782 125.8128 53.3519 44.5080 176.1054 95 N 4.7645 8.7846 127.2811 51.4036 37.6288 173.8214 96 L 3.8035 8.1832 118.9878 56.3209 42.4585 177.9198 97 A 3.4956 10.1287 125.2449 52.6382 16.7744 178.2403 98 G 4.0448 8.6690 105.3581 46.5952 0.0000 175.3582 99 K 4.2930 7.9974 118.2112 57.5477 33.2450 177.0594 100 K 4.6693 7.8341 119.3927 54.5777 35.6794 174.6673 101 E 4.9984 8.9759 128.9258 55.5041 30.5760 175.2654 102 I 4.7798 8.7996 120.3153 58.0703 41.2642 173.0848 103 P 4.8472 0.0000 0.0000 63.6073 31.9763 175.5226 104 F 5.0808 9.4662 125.5468 57.0092 43.1312 173.1548 105 H 4.5991 8.6862 122.5803 53.7371 31.9671 173.9161 106 E 3.6274 8.7769 125.7789 59.0138 29.8282 178.3530 107 A 4.0484 7.9428 120.1792 54.9208 18.3850 177.9888 108 T 4.4221 7.5994 109.7194 63.8134 70.9852 174.3726 109 D 4.8427 8.0989 118.7507 53.8412 43.2124 175.7979 110 F 4.7593 8.3540 120.1749 56.3819 41.2206 173.0779 111 L 4.8030 8.7481 126.3024 52.7623 44.4319 175.8635 112 F 4.5276 9.0141 121.9504 55.9468 40.0791 176.2155 113 L 4.5108 7.9535 128.4321 52.8998 39.2124 177.7867 114 Q 4.0550 8.1735 119.1313 58.8026 29.1644 178.6680 115 K 4.2761 7.9856 115.3382 56.9388 32.8108 176.0970 116 E 4.8815 8.2489 118.9040 54.3007 32.5770 174.7750 117 L 4.9734 8.1967 121.5523 53.2149 43.6387 176.2360 118 L 4.0072 8.2063 126.1946 53.9306 42.2821 176.3507 119 P 4.5111 0.0000 0.0000 65.2605 31.9591 177.9911 120 K 3.5648 7.8554 117.9123 59.1319 31.8529 176.0025 121 H 4.5322 6.7684 114.7113 55.1745 33.2786 173.2224 122 S 4.2247 7.6880 117.2177 60.9060 63.3980 173.5623 123 N 5.0802 8.2814 118.8246 52.2436 36.8729 173.9279 124 G 4.0484 7.8661 109.6202 43.9800 0.0000 169.5246 *126 R 4.5248 8.2256 118.3800 56.1919 31.4993 174.1207 127 F 4.6809 9.3309 125.3931 55.8277 41.3011 175.0637 128 S 5.2750 9.2568 118.4407 56.6877 67.1398 172.8240 129 A 5.4147 8.7816 124.6981 50.2586 22.1149 175.1659 130 F 5.3619 9.3129 119.3777 55.6258 43.5252 175.1831 131 D 5.2610 8.5235 121.9751 51.5845 40.6033 177.4279 132 G 3.7392 8.5248 107.2239 47.7848 0.0000 173.9074 133 N 4.6334 8.5207 116.7036 52.9522 38.4877 175.3807 134 A 3.7632 7.9667 118.8829 52.7728 16.9602 178.2526 135 N 4.7580 8.0905 115.6046 53.0986 39.5767 174.4858 136 L 3.9719 8.5679 124.8262 55.2097 42.8071 176.2726 137 L 4.3549 8.6955 126.7885 57.0291 42.6336 176.7498 138 I 4.4427 7.1051 115.9673 60.0580 41.4990 172.5984 139 E 5.1849 8.6457 126.2113 54.5822 32.7935 174.4348 140 Q 4.4426 9.3229 127.3748 54.6628 33.0570 173.2259 141 V 4.4006 8.1958 125.9947 61.6667 33.7360 173.9636 142 Y 5.3795 8.3313 123.5130 56.4681 42.3500 173.8138 143 Y 5.3504 9.6782 119.1199 56.3102 42.0734 174.6221 144 S 5.4710 8.7098 118.0501 56.7796 65.0209 173.3417 145 I 4.5707 8.3150 117.0072 59.6209 41.0877 176.0430 146 G 4.0469 8.6640 109.5549 45.5331 0.0000 174.7868 147 G 3.9894 9.2113 108.1792 47.7884 0.0000 172.1532 148 G 3.4597 7.3997 107.9999 45.4792 0.0000 174.2323 149 F 4.4363 8.7475 118.8499 57.0349 40.4552 174.9406 150 I 5.2023 8.3438 120.5141 60.2410 40.2303 175.0021 151 T 4.9912 9.0669 118.5847 60.9657 71.2178 173.4656 152 T 4.5832 8.7114 116.8025 60.6774 70.3086 175.0091 153 E 4.1530 8.5594 124.6022 59.6534 29.4642 178.5849 154 E 4.2316 8.1050 113.5590 58.1230 30.1382 176.8037 155 D 4.6617 7.9677 118.5215 54.6522 41.6761 177.9371 156 F 3.9839 8.0430 121.7886 61.2886 39.3971 175.9159 157 D 4.5747 8.1944 117.9941 56.2725 41.3972 176.4937 158 K 4.0185 7.3924 122.1824 57.0049 32.1133 176.2452 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 14 S 8.18 4.52 0.00 3.93 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 15 S 8.11 4.21 0.00 4.15 4.10 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 16 H 8.27 4.71 0.00 3.19 3.47 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.21 4.41 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 1.26 0.00 0.00 18 V 7.94 3.66 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00 19 G 8.25 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.43 0.00 2.28 2.21 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 *22 L 8.21 4.07 0.00 1.83 1.67 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.27 3.19 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 24 A 7.87 3.20 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 25 N 7.99 4.16 0.00 2.85 2.81 0.00 0.00 6.94 8.12 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 26 A 8.01 3.94 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 27 F 7.89 4.34 0.00 2.44 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 28 L 8.22 3.93 0.00 1.84 1.66 1.01 1.08 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 29 Q 7.90 4.01 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 30 L 8.08 3.86 0.00 1.91 1.69 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.64 3.89 0.00 1.93 1.80 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.73 3.93 0.00 2.06 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 2.36 2.31 0.00 33 Q 8.52 4.01 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 34 K 7.67 4.40 0.00 1.83 1.78 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.52 7.81 35 N 7.86 4.20 0.00 2.82 2.85 0.00 0.00 7.02 7.17 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 36 L 7.64 4.55 0.00 1.71 1.62 0.88 0.97 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 37 F 8.24 3.91 0.00 3.08 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 38 D 8.18 4.33 0.00 2.75 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 39 K 7.62 4.06 0.00 1.78 1.77 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 40 T 7.22 4.41 4.09 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 1.18 0.00 0.00 41 Q 9.01 4.68 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 42 R 7.97 4.85 0.00 1.89 1.83 0.00 3.21 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 43 V 8.73 5.24 2.34 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 1.16 0.00 0.00 1.19 0.00 0.00 44 K 9.64 4.95 0.00 1.92 1.87 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.28 7.81 45 V 8.75 4.31 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 0.00 0.00 -0.21 0.00 0.00 0.62 0.00 0.00 46 E 7.94 4.69 0.00 1.69 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 2.04 2.07 0.00 47 L 8.26 4.76 0.00 1.12 1.37 0.67 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.59 4.79 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 49 G 9.21 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 0.00 0.00 0.00 0.00 50 S 9.09 4.29 0.00 4.23 4.11 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 51 L 8.05 4.29 0.00 2.07 1.82 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.82 4.35 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 53 L 7.87 4.30 0.00 1.98 1.88 0.93 0.97 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 54 T 7.26 4.48 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 1.41 0.00 0.00 55 G 7.99 3.59 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 0.00 0.00 0.00 56 K 7.31 3.63 0.00 1.20 1.57 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.40 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.29 7.81 57 G 9.50 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 58 H 8.18 4.74 0.00 3.30 3.34 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.44 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 0.00 0.00 0.00 0.00 60 T 8.24 4.26 4.45 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 0.00 0.00 0.00 1.35 0.00 0.00 61 D 8.08 4.04 0.00 2.25 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 62 K 8.12 3.74 0.00 1.82 1.98 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.52 7.81 63 A 8.14 4.01 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 64 I 8.20 3.82 2.35 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.87 1.23 0.00 0.00 65 L 8.01 4.00 0.00 1.55 1.61 0.76 1.08 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 66 N 8.04 4.55 0.00 2.87 2.87 0.00 0.00 6.99 8.94 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 67 G 8.18 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.25 4.22 0.00 2.18 1.74 1.17 1.06 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 69 E 7.84 4.54 0.00 2.19 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 2.43 2.45 0.00 70 N 8.04 4.56 0.00 2.73 3.03 0.00 0.00 7.14 6.20 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 71 K 7.69 4.16 0.00 1.92 1.70 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.37 7.81 72 A 7.99 4.65 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 73 P 0.00 4.48 0.00 2.01 2.08 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 74 E 8.11 4.25 0.00 1.87 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 2.21 2.36 0.00 75 T 8.10 4.02 4.33 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 1.21 0.00 0.00 76 V 7.57 3.82 2.07 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 0.67 0.00 0.00 0.92 0.00 0.00 77 D 8.34 4.74 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 78 P 0.00 4.23 0.00 2.21 2.16 0.00 3.82 0.00 0.00 3.78 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 79 A 8.16 4.06 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 80 S 7.62 4.42 0.00 3.96 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 0.00 *82 I 7.62 4.04 1.77 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 1.38 0.77 0.79 0.00 0.00 83 P 0.00 4.30 0.00 2.15 2.07 0.00 3.66 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 2.17 2.03 0.00 84 R 7.87 4.21 0.00 1.96 1.90 0.00 3.16 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 *86 H 8.40 4.70 0.00 3.47 3.36 0.00 5.70 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 87 E 8.42 4.04 0.00 2.14 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 0.00 2.35 2.58 0.00 88 I 7.75 3.82 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.75 0.00 0.00 89 L 7.91 4.10 0.00 1.78 1.77 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.25 4.51 0.00 2.72 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 91 S 8.26 4.32 0.00 4.08 4.04 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 0.00 0.00 0.00 92 N 7.72 4.53 0.00 2.88 2.77 0.00 0.00 7.02 7.96 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 93 L 8.05 5.21 0.00 1.63 1.58 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 L 9.08 4.55 0.00 1.47 1.54 0.72 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.78 4.76 0.00 2.83 2.82 0.00 0.00 6.81 6.77 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 96 L 8.18 3.80 0.00 2.05 1.98 0.91 0.84 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 97 A 10.13 3.50 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 98 G 8.67 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.00 4.29 0.00 1.95 1.94 0.00 1.05 0.00 0.00 1.40 0.00 0.00 2.17 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.33 1.38 7.81 100 K 7.83 4.67 0.00 2.02 1.74 0.00 1.15 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.42 7.81 101 E 8.98 5.00 0.00 2.05 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 2.29 2.33 0.00 102 I 8.80 4.78 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.89 0.00 0.00 103 P 0.00 4.85 0.00 2.03 2.15 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 104 F 9.47 5.08 0.00 3.11 2.91 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 0.00 105 H 8.69 4.60 0.00 3.05 3.03 0.00 5.87 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.78 3.63 0.00 2.04 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 2.53 2.46 0.00 107 A 7.94 4.05 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 0.00 108 T 7.60 4.42 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 1.11 0.00 0.00 109 D 8.10 4.84 0.00 1.98 2.93 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 0.00 0.00 0.00 110 F 8.35 4.76 0.00 3.29 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 0.00 111 L 8.75 4.80 0.00 1.36 1.43 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.01 4.53 0.00 2.92 3.05 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 0.00 113 L 7.95 4.51 0.00 1.15 1.43 0.54 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.17 4.05 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 115 K 7.99 4.28 0.00 1.79 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 116 E 8.25 4.88 0.00 2.16 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 2.28 2.25 0.00 117 L 8.20 4.97 0.00 1.56 1.50 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.21 4.01 0.00 1.67 1.48 0.32 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.51 0.00 2.10 2.12 0.00 3.75 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 1.91 1.92 0.00 120 K 7.86 3.56 0.00 0.79 0.74 0.00 1.43 0.00 0.00 1.33 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.12 0.51 7.81 121 H 6.77 4.53 0.00 3.02 2.91 0.00 5.94 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.69 4.22 0.00 3.90 3.71 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 0.00 123 N 8.28 5.08 0.00 3.12 2.91 0.00 0.00 6.85 7.74 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 0.00 124 G 7.87 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 *126 R 8.23 4.52 0.00 1.90 1.82 0.00 3.35 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 127 F 9.33 4.68 0.00 1.76 1.45 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 0.00 0.00 0.00 0.00 128 S 9.26 5.28 0.00 3.73 3.38 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 0.00 129 A 8.78 5.41 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 0.00 130 F 9.31 5.36 0.00 2.95 2.92 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 0.00 0.00 0.00 131 D 8.52 5.26 0.00 2.92 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 0.00 132 G 8.52 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 0.00 133 N 8.52 4.63 0.00 2.74 2.85 0.00 0.00 6.97 6.95 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 0.00 134 A 7.97 3.76 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 0.00 135 N 8.09 4.76 0.00 3.05 2.79 0.00 0.00 6.68 6.74 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 0.00 136 L 8.57 3.97 0.00 1.61 1.58 0.38 0.95 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 0.00 137 L 8.70 4.35 0.00 1.56 1.66 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.11 4.44 1.86 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 1.12 0.92 0.00 0.00 139 E 8.65 5.18 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 2.14 2.23 0.00 140 Q 9.32 4.44 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.20 1.41 0.00 141 V 8.20 4.40 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 0.51 0.00 0.00 0.76 0.00 0.00 142 Y 8.33 5.38 0.00 3.02 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 0.00 143 Y 9.68 5.35 0.00 3.03 2.99 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 0.00 144 S 8.71 5.47 0.00 3.89 3.95 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 0.00 0.00 0.00 145 I 8.32 4.57 1.83 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.73 0.00 0.00 146 G 8.66 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 0.00 147 G 9.21 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 0.00 148 G 7.40 3.46 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 0.00 149 F 8.75 4.44 0.00 2.97 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 0.00 150 I 8.34 5.20 1.91 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 1.26 0.74 0.99 0.00 0.00 151 T 9.07 4.99 4.34 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 1.57 0.00 0.00 152 T 8.71 4.58 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 153 E 8.56 4.15 0.00 1.96 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 2.33 2.37 0.00 154 E 8.10 4.23 0.00 2.14 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 0.00 2.28 2.28 0.00 155 D 7.97 4.66 0.00 2.88 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 0.00 156 F 8.04 3.98 0.00 3.14 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 0.00 157 D 8.19 4.57 0.00 2.77 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 0.00 158 K 7.39 4.02 0.00 1.79 1.76 0.00 1.97 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.