NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3266 8.3449 118.8261 55.3494 29.9654 174.8582 4 L 4.1654 8.4752 120.6434 53.7135 42.3408 175.9025 5 T 4.5859 8.9881 113.7430 59.6477 73.2988 175.0563 6 E 3.9764 8.8259 124.1319 60.5463 29.4036 179.5936 7 E 4.0254 8.1315 117.3668 61.2264 29.7474 180.8201 8 Q 4.3778 7.8797 119.8968 58.3294 28.7462 178.7590 9 I 4.0236 8.3512 121.1289 64.5043 37.1626 178.3875 10 A 4.0126 8.1107 121.5813 55.0459 18.0685 179.4502 11 E 3.9066 8.5008 117.5516 59.7710 29.4663 179.6837 12 F 4.6992 8.2833 117.9271 60.5528 38.9723 177.7032 13 K 3.7410 8.5979 119.6195 59.2413 31.6945 178.5302 14 E 3.9646 8.2400 118.6448 59.1965 29.9241 178.2851 15 A 4.3463 8.4803 120.9493 55.2506 18.4741 179.2840 16 F 3.3672 8.7270 119.7058 61.2831 39.2308 177.5166 17 S 4.1244 8.1397 112.3856 61.0764 62.7793 176.0920 18 L 4.0965 7.6738 121.9686 57.1539 41.3555 178.7941 19 F 4.3136 8.0017 116.8092 59.4155 40.8773 176.7834 20 D 4.5021 7.7169 119.4629 52.5740 37.4777 176.3364 21 K 3.8453 7.9114 122.6637 59.2174 32.6796 178.0959 22 D 4.4768 8.2799 115.0582 53.1052 39.7407 176.7655 23 G 3.8936 8.0816 108.1305 46.8138 0.0000 174.0951 24 D 4.5453 8.2970 117.2977 52.8856 39.7472 177.3499 25 G 4.1786 9.4751 109.0331 45.6866 0.0000 173.3474 26 T 5.1462 8.0150 108.2592 59.9534 72.3162 173.3241 27 I 4.6443 8.9064 124.8605 60.1686 39.1572 175.7350 28 T 4.7872 8.8002 118.1226 60.3257 71.0353 175.9160 29 T 3.8649 8.6397 112.1042 65.2080 68.3272 176.3773 30 K 3.9926 7.9861 120.5279 59.2818 32.1679 179.0619 31 E 4.0040 8.2052 118.8743 59.1664 29.3520 179.0815 32 L 4.2598 8.3770 120.8488 58.1116 42.0934 179.1351 33 G 3.7031 8.4876 106.0597 48.1999 0.0000 175.5649 34 T 3.8476 7.9377 118.2890 66.3045 68.6269 176.7999 35 V 3.3947 7.8261 119.8288 66.2720 31.4840 177.8249 36 M 4.0657 8.3979 118.7786 58.6940 31.7691 179.0840 37 R 4.4764 8.5958 119.9519 58.6970 29.9871 179.2067 38 S 4.1638 7.8668 113.0651 60.3746 63.0122 175.4199 39 L 4.4812 7.3465 120.9807 54.1029 41.7074 177.1101 40 G 3.8512 8.0033 106.3267 45.8288 0.0000 173.8785 41 Q 4.6054 8.2340 121.1491 54.9364 31.4319 175.6499 42 N 5.4130 8.1414 114.1475 50.5165 38.3505 174.0346 43 P 4.4910 0.0000 0.0000 62.7606 32.8186 177.7360 44 T 4.2530 8.2257 111.5191 60.8997 71.1202 175.2566 45 E 3.9066 8.8037 119.8161 60.0524 29.1961 179.3356 46 A 4.0135 7.9207 121.0909 54.5241 18.4786 179.1259 47 E 3.9303 8.2628 117.1699 59.6918 29.5647 179.5752 48 L 4.0031 8.2046 119.0559 57.9688 41.5994 179.5991 49 Q 4.0182 8.2406 117.8824 59.1407 28.5649 178.6941 50 D 4.3572 8.2468 119.8032 57.5278 40.6079 178.8145 51 M 4.0414 8.0638 118.2706 58.5649 32.3436 178.4876 52 I 3.8474 7.8798 119.9234 64.5128 37.3467 178.0198 53 N 4.3481 8.4991 118.0101 56.7297 38.4798 176.7571 54 E 4.0407 7.9570 119.0240 58.5454 29.6025 178.6155 55 V 4.2569 7.5054 110.3132 60.9438 33.9375 176.7679 56 D 4.6231 7.3410 118.7356 52.3049 39.0252 175.9414 57 A 3.9761 8.1756 126.9238 54.4489 18.8682 178.5440 58 D 4.5028 8.4096 112.5353 53.0558 39.9636 177.2742 59 G 3.9033 8.1065 107.8220 46.4305 0.0000 174.2561 60 N 4.4749 8.3397 115.2520 53.0698 37.6573 176.1750 61 G 3.9953 9.7575 108.7565 45.3636 0.0000 172.8519 62 T 4.8753 7.8140 108.1555 60.0971 72.8282 173.2711 63 I 4.7814 8.7441 123.3407 59.8647 39.1991 175.6525 64 D 5.2935 9.0886 127.4775 51.9706 41.8170 177.5536 65 F 3.3942 8.4296 119.7395 60.8005 39.1712 175.0715 66 P 4.0526 0.0000 0.0000 65.4241 31.0762 178.4613 67 E 3.9195 8.9731 118.0553 59.1097 29.2798 179.0314 68 F 4.0215 8.3925 121.0624 61.2421 39.4690 177.0149 69 L 3.5024 7.8529 120.3542 58.0797 41.6535 178.9328 70 T 3.6816 7.6891 115.8115 66.7008 68.1304 176.2037 71 M 3.9324 7.5126 118.8159 58.8573 32.4387 177.9346 72 M 3.7492 7.6414 118.7348 57.8718 31.6847 178.2047 73 A 3.9196 7.8085 120.5272 55.5045 18.5885 179.8135 74 R 3.8395 7.3291 110.9598 58.7085 30.1033 178.6810 75 K 3.4182 7.4822 118.8345 57.5682 31.0355 174.1583 76 M 4.4453 8.7096 126.1265 55.6457 33.9308 175.4323 77 K 4.4581 7.9838 121.9821 53.7894 35.4936 175.0117 *78 D 4.3082 8.7805 117.3103 56.5124 38.5140 173.0930 *81 S 4.4717 8.5391 123.5151 56.9428 64.8280 173.7919 82 E 4.1394 8.2533 119.4350 62.9385 29.2498 184.1692 83 E 4.2882 8.3181 121.7713 59.5988 29.7380 179.3277 84 E 4.3847 8.1479 119.4475 60.5887 29.7303 182.0358 85 I 4.1941 7.6363 119.2584 64.5356 37.2040 178.7293 86 R 4.1619 8.2145 118.8015 59.4003 29.3742 178.9450 87 E 4.0184 8.5612 118.2028 59.3935 29.1641 179.3140 88 A 4.1802 8.5636 121.0501 55.0177 18.4215 179.2400 89 F 3.1065 8.6073 119.4413 61.5381 39.1839 177.7350 90 R 3.8273 8.0888 115.9059 58.8780 29.8098 178.7122 91 V 3.5719 7.3011 117.3490 65.8951 31.4491 177.5401 92 F 4.2703 7.2783 115.5500 59.2308 40.8228 177.0541 93 D 4.5204 7.6976 119.6990 53.1547 37.4260 176.8219 94 K 4.0256 7.8233 121.4217 58.7702 32.8938 178.1668 95 D 4.4482 8.1989 116.1331 53.2436 39.7382 177.3472 96 G 3.9268 8.1399 108.2849 46.1913 0.0000 173.9917 97 N 4.5871 8.4606 115.4126 53.0839 37.3828 176.1319 98 G 4.0522 9.9675 108.9357 45.4617 0.0000 172.4825 99 Y 5.1222 7.9968 116.0595 56.2275 42.0311 174.9352 100 I 4.4724 9.0192 125.8998 60.4618 38.4496 175.8318 101 S 4.8705 9.1528 122.4476 57.1307 64.7985 175.3745 102 A 3.9631 8.7024 121.9361 55.2198 18.0238 179.9336 103 A 3.8196 7.8956 118.8505 55.2594 18.5796 179.3696 104 E 3.9426 8.1970 117.1267 59.6344 29.5684 179.4691 105 L 4.2024 8.2066 120.3720 58.2493 42.1150 179.0052 106 R 3.9360 8.2995 118.9107 59.6112 29.9025 178.2439 107 H 4.2753 8.2897 116.1925 58.7612 28.7006 177.8066 108 V 3.5084 7.8814 119.9994 66.4681 31.2768 178.0830 109 M 4.1466 8.2778 118.3202 58.5900 31.7767 178.9616 110 T 3.8534 8.3638 116.4835 66.6335 68.4381 176.2859 111 N 4.3477 8.3323 118.0722 56.1354 38.9854 175.8922 112 L 4.3072 7.6287 118.1756 54.2370 41.9065 177.2187 113 G 3.7706 7.7999 107.0515 45.9250 0.0000 172.8580 114 E 4.3908 8.2433 120.7674 53.9907 30.3941 175.4318 115 K 4.4263 8.5790 126.4285 55.0273 32.8261 175.8445 116 L 4.9505 8.1524 123.9538 52.7122 44.4446 177.2712 117 T 4.2235 8.5468 112.4872 61.4688 70.8782 175.6279 118 D 4.3279 8.5429 121.4354 57.3780 40.7291 178.6040 119 E 3.9257 8.1449 119.3975 59.3436 29.6824 178.6529 120 E 3.9353 8.0716 118.2215 59.3649 29.5721 179.4789 121 V 3.6538 8.0989 120.7909 66.7888 31.5368 178.3308 122 D 4.4170 8.4666 121.2083 58.5098 39.5882 180.0612 123 E 4.1543 8.4968 120.3306 59.5765 29.5111 179.4731 124 M 4.0090 8.1591 118.4713 58.5189 31.9919 178.7324 125 I 3.7979 7.8070 119.8643 64.5498 37.0684 178.4145 126 R 3.8826 8.0582 118.4874 59.5177 29.9442 177.5585 127 E 4.0217 8.0662 117.2552 58.8701 29.6043 177.8224 128 A 4.3127 7.3997 118.6159 53.0525 19.6352 177.0686 129 D 4.5182 8.2426 116.6747 54.4582 41.8338 175.4277 130 I 4.2940 8.9602 127.3052 62.8366 38.7018 176.7820 131 D 4.4249 8.3964 117.2196 53.9589 39.8613 177.2794 132 G 3.9267 8.3715 108.1414 45.7471 0.0000 173.9321 133 D 4.3940 8.2946 117.9708 53.6786 39.5327 177.3344 134 G 3.9331 8.9051 108.3272 45.9732 0.0000 172.8449 135 Q 4.7961 8.3913 116.7943 54.0181 33.6307 174.6493 136 V 4.6863 8.7233 120.7559 61.4945 33.6185 175.2295 137 N 5.0728 9.2736 126.6421 51.2070 39.4931 175.6698 138 Y 3.1917 8.2190 120.8244 61.0938 38.6408 177.9592 139 E 3.9003 8.0940 118.8428 61.0272 29.9487 180.9942 140 E 4.1374 8.8783 119.6149 59.2330 29.3056 179.1750 141 F 4.0071 8.0519 119.7023 61.2473 39.6376 176.8767 142 V 3.5450 7.7598 118.2304 66.2490 31.2930 178.0864 143 Q 3.9755 7.8761 117.5470 58.8492 28.2504 178.2753 144 M 3.9893 7.5810 118.5536 58.6825 32.5498 177.7408 145 M 4.1169 7.6471 118.6398 56.7238 32.0226 176.5617 146 T 4.2790 7.1679 112.7946 61.5745 69.0543 173.9149 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 Q 8.34 4.33 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 4 L 8.48 4.17 0.00 1.79 1.74 0.95 0.86 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 5 T 8.99 4.59 4.25 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 1.22 0.00 0.00 6 E 8.83 3.98 0.00 2.07 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 2.40 2.42 0.00 7 E 8.13 4.03 0.00 2.01 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 2.31 1.97 0.00 8 Q 7.88 4.38 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 9 I 8.35 4.02 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.85 1.13 0.00 0.00 10 A 8.11 4.01 1.37 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 0.00 0.00 0.00 11 E 8.50 3.91 0.00 1.89 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 2.27 2.40 0.00 12 F 8.28 4.70 0.00 3.53 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 3.74 0.00 1.31 1.84 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 1.29 7.81 14 E 8.24 3.96 0.00 2.02 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 2.36 2.43 0.00 15 A 8.48 4.35 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 0.00 0.00 0.00 0.00 0.00 16 F 8.73 3.37 0.00 2.82 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 17 S 8.14 4.12 0.00 4.10 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 18 L 7.67 4.10 0.00 1.81 1.65 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.00 4.31 0.00 2.75 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 20 D 7.72 4.50 0.00 2.08 2.25 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 21 K 7.91 3.85 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.36 7.81 22 D 8.28 4.48 0.00 2.80 2.77 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 0.00 0.00 0.00 23 G 8.08 3.89 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 0.00 0.00 0.00 24 D 8.30 4.55 0.00 2.76 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 25 G 9.48 4.18 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 0.00 26 T 8.01 5.15 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 1.29 0.00 0.00 27 I 8.91 4.64 1.85 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.27 0.94 0.00 0.00 28 T 8.80 4.79 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 29 T 8.64 3.86 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 30 K 7.99 3.99 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.54 7.81 31 E 8.21 4.00 0.00 2.21 2.23 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 2.32 2.31 0.00 32 L 8.38 4.26 0.00 1.85 1.87 1.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.49 3.70 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 0.00 0.00 0.00 34 T 7.94 3.85 4.41 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 1.17 0.00 0.00 35 V 7.83 3.39 2.15 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 0.63 0.00 0.00 0.63 0.00 0.00 36 M 8.40 4.07 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.97 0.00 37 R 8.60 4.48 0.00 1.81 1.96 0.00 3.12 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 38 S 7.87 4.16 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 4.48 0.00 1.75 1.59 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.00 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 0.00 0.00 0.00 41 Q 8.23 4.61 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 42 N 8.14 5.41 0.00 2.67 2.56 0.00 0.00 6.73 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.49 0.00 2.19 2.10 0.00 3.74 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 2.00 1.98 0.00 44 T 8.23 4.25 4.25 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 1.22 0.00 0.00 45 E 8.80 3.91 0.00 2.18 2.29 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 2.38 2.35 0.00 46 A 7.92 4.01 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 47 E 8.26 3.93 0.00 2.37 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 0.00 2.33 2.23 0.00 48 L 8.20 4.00 0.00 1.87 1.74 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.24 4.02 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 50 D 8.25 4.36 0.00 2.89 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 51 M 8.06 4.04 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 52 I 7.88 3.85 1.89 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 1.62 0.94 0.98 0.00 0.00 53 N 8.50 4.35 0.00 2.92 2.98 0.00 0.00 7.25 8.45 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 54 E 7.96 4.04 0.00 2.07 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 2.57 2.49 0.00 55 V 7.51 4.26 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 0.72 0.00 0.00 1.01 0.00 0.00 56 D 7.34 4.62 0.00 3.08 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 57 A 8.18 3.98 1.26 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 0.00 0.00 58 D 8.41 4.50 0.00 2.79 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 59 G 8.11 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 60 N 8.34 4.47 0.00 2.90 2.95 0.00 0.00 7.06 6.29 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 61 G 9.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.88 4.41 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 1.24 0.00 0.00 63 I 8.74 4.78 1.96 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 1.32 0.90 1.09 0.00 0.00 64 D 9.09 5.29 0.00 2.83 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 65 F 8.43 3.39 0.00 1.97 2.73 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 66 P 0.00 4.05 0.00 2.13 2.01 0.00 3.84 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 2.10 2.18 0.00 67 E 8.97 3.92 0.00 2.22 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 0.00 2.30 2.39 0.00 68 F 8.39 4.02 0.00 3.18 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 69 L 7.85 3.50 0.00 0.77 1.27 0.90 0.70 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 70 T 7.69 3.68 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 1.12 0.00 0.00 71 M 7.51 3.93 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 72 M 7.64 3.75 0.00 0.51 0.84 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 73 A 7.81 3.92 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 74 R 7.33 3.84 0.00 1.96 1.99 0.00 3.14 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 75 K 7.48 3.42 0.00 2.08 2.01 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.26 7.81 76 M 8.71 4.45 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 77 K 7.98 4.46 0.00 1.70 1.55 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.98 7.81 *78 D 8.78 4.31 0.00 2.69 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 *81 S 8.54 4.47 0.00 3.67 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 82 E 8.25 4.14 0.00 1.96 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 2.33 1.98 0.00 83 E 8.32 4.29 0.00 2.09 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 0.00 2.39 2.46 0.00 84 E 8.15 4.38 0.00 2.01 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 0.00 2.31 1.83 0.00 85 I 7.64 4.19 2.23 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 1.61 0.68 1.16 0.00 0.00 86 R 8.21 4.16 0.00 2.08 2.00 0.00 3.10 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.67 0.00 87 E 8.56 4.02 0.00 2.25 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 0.00 2.37 2.48 0.00 88 A 8.56 4.18 1.78 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 0.00 0.00 89 F 8.61 3.11 0.00 2.87 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 90 R 8.09 3.83 0.00 2.00 1.98 0.00 3.25 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 91 V 7.30 3.57 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 0.26 0.00 0.00 0.94 0.00 0.00 92 F 7.28 4.27 0.00 2.93 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 93 D 7.70 4.52 0.00 2.04 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 0.00 0.00 0.00 94 K 7.82 4.03 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.33 7.81 95 D 8.20 4.45 0.00 2.82 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 96 G 8.14 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 97 N 8.46 4.59 0.00 3.00 3.01 0.00 0.00 7.08 6.89 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 98 G 9.97 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 99 Y 8.00 5.12 0.00 3.00 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 0.00 100 I 9.02 4.47 1.87 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.17 0.91 0.00 0.00 101 S 9.15 4.87 0.00 3.92 4.02 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 0.00 0.00 0.00 102 A 8.70 3.96 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 0.00 103 A 7.90 3.82 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 0.00 104 E 8.20 3.94 0.00 2.29 2.27 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 2.37 2.36 0.00 105 L 8.21 4.20 0.00 1.81 1.86 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.30 3.94 0.00 1.98 2.01 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 107 H 8.29 4.28 0.00 3.42 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.88 3.51 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 0.74 0.00 0.00 0.81 0.00 0.00 109 M 8.28 4.15 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.02 0.00 110 T 8.36 3.85 4.41 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 1.21 0.00 0.00 111 N 8.33 4.35 0.00 2.77 2.79 0.00 0.00 7.29 7.46 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 0.00 112 L 7.63 4.31 0.00 1.77 1.58 0.88 0.76 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 0.00 113 G 7.80 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.24 4.39 0.00 1.90 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 0.00 2.26 2.31 0.00 115 K 8.58 4.43 0.00 2.04 1.75 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.01 7.81 116 L 8.15 4.95 0.00 1.61 1.56 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.55 4.22 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 0.00 118 D 8.54 4.33 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.93 0.00 2.03 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 0.00 2.38 2.41 0.00 120 E 8.07 3.94 0.00 2.27 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 2.33 2.32 0.00 121 V 8.10 3.65 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 1.05 0.00 0.00 1.02 0.00 0.00 122 D 8.47 4.42 0.00 2.69 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 0.00 123 E 8.50 4.15 0.00 2.24 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 0.00 2.33 2.49 0.00 124 M 8.16 4.01 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 125 I 7.81 3.80 2.02 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 1.59 0.99 0.98 0.00 0.00 126 R 8.06 3.88 0.00 2.00 1.96 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 127 E 8.07 4.02 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 128 A 7.40 4.31 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 0.00 129 D 8.24 4.52 0.00 2.82 2.60 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 0.00 130 I 8.96 4.29 1.99 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 1.35 0.93 0.92 0.00 0.00 131 D 8.40 4.42 0.00 2.80 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 0.00 132 G 8.37 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 0.00 133 D 8.29 4.39 0.00 2.80 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 0.00 134 G 8.91 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 0.00 135 Q 8.39 4.80 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 136 V 8.72 4.69 2.19 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 1.20 0.00 0.00 0.98 0.00 0.00 137 N 9.27 5.07 0.00 2.53 2.73 0.00 0.00 6.47 8.08 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 0.00 138 Y 8.22 3.19 0.00 2.03 2.60 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 0.00 139 E 8.09 3.90 0.00 2.01 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 0.00 2.31 1.97 0.00 140 E 8.88 4.14 0.00 2.18 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 0.00 2.34 2.47 0.00 141 F 8.05 4.01 0.00 3.17 3.02 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 0.00 0.00 0.00 142 V 7.76 3.55 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.24 0.00 0.00 143 Q 7.88 3.98 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 144 M 7.58 3.99 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 145 M 7.65 4.12 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 146 T 7.17 4.28 4.20 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.