NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.8071 8.1827 115.7799 56.2454 39.9140 176.7710 13 V 3.4635 8.1134 122.9315 66.8085 31.0297 175.0728 14 A 4.0042 8.7624 120.1561 55.3200 18.9198 178.4434 15 E 4.1050 8.2565 116.4703 59.7702 29.6378 179.5937 16 L 4.0262 8.1847 118.8787 57.7010 41.5136 179.0170 17 N 4.5066 8.3706 117.1264 56.5580 38.6223 176.0958 18 N 4.5217 7.9102 117.1990 55.2219 39.3425 175.6915 19 L 4.5576 7.9990 119.6645 53.5969 42.1285 175.9367 20 L 4.3857 7.0958 120.6756 56.2550 41.8953 177.7909 21 G 3.9784 9.1882 112.1092 45.1099 0.0000 173.1416 22 R 4.7126 7.6795 118.4195 54.0735 33.4408 174.9122 23 E 4.7425 8.5830 121.9245 56.3944 30.6425 175.8877 24 V 4.7454 8.9484 118.7566 59.9411 37.2895 173.5954 25 Q 5.0534 8.9487 122.1137 54.3893 32.2131 174.0835 26 V 4.7998 9.2986 125.9987 61.1833 34.5070 174.0623 27 V 4.4294 8.4784 128.6154 61.6642 33.1326 174.9221 28 L 5.3581 8.8361 128.3083 53.1022 43.9332 177.8898 29 S 4.3597 9.1610 115.9932 60.3796 63.1929 174.7088 30 N 4.6402 8.2448 117.8009 52.9169 37.2664 175.9487 31 G 3.9731 8.1261 107.5787 45.3567 0.0000 173.8407 32 E 4.4188 8.3804 119.4559 55.7625 31.7941 175.7728 33 V 4.7835 7.9411 120.6157 61.5478 34.8616 173.5338 34 Y 4.9472 9.0521 125.6605 56.0499 40.8348 174.7023 35 K 4.9187 8.8086 124.0062 54.7360 35.9291 175.5650 36 G 4.3079 8.2209 112.2575 46.0974 0.0000 171.5816 37 V 4.3518 7.8005 120.5484 61.9904 32.7202 175.2918 38 L 4.2430 9.1073 131.1351 56.3076 42.2095 176.3209 39 H 4.6710 9.3248 127.3540 57.6679 31.4536 174.8531 40 A 4.7133 7.5767 117.1584 50.8253 22.4972 175.4744 41 V 5.0217 8.3250 119.7640 61.3599 34.9932 174.1650 42 D 5.0764 8.2770 125.4248 51.1221 42.0088 176.5681 43 N 4.2377 8.6109 115.4230 56.1980 38.4394 176.2301 44 Q 3.9315 7.9977 114.3794 55.2590 29.1081 175.4843 45 L 3.8004 7.9495 117.1328 55.7447 39.1143 174.4864 46 N 4.8718 8.6872 115.8750 53.5259 39.9371 174.4180 47 I 4.8731 8.7885 121.9845 59.5233 41.4749 174.6366 48 V 4.6414 8.6018 125.2937 61.2176 34.0529 174.1924 49 L 5.1910 8.6162 127.7816 53.1234 44.3826 175.3225 50 A 4.9369 9.0908 124.0685 50.5857 21.6828 176.3261 51 N 4.1031 8.2536 117.4070 54.5076 36.8962 173.3885 52 A 5.2161 7.9716 119.8521 50.4783 22.9869 177.2909 53 S 5.8218 9.3950 112.9190 56.1571 67.3065 173.2470 54 N 5.4292 8.1738 118.0337 50.2928 39.9298 175.1653 55 K 3.9737 8.4982 116.5007 58.9456 32.2498 177.7454 56 A 4.2786 8.0461 120.3731 51.8551 18.5009 178.2857 57 G 3.9799 7.8721 105.7763 45.8016 0.0000 174.5504 58 E 4.0265 7.8913 119.6623 56.4009 30.5393 176.2029 59 K 5.1035 7.9291 121.4784 54.6697 35.6406 175.5533 60 F 4.8377 9.2601 121.1666 55.7380 43.0901 175.4184 61 N 4.4392 9.1107 121.0866 56.5408 40.0283 174.8852 62 R 4.9314 7.8044 115.3308 54.4127 34.5693 174.8644 63 V 3.9573 8.2371 122.7354 60.9560 34.3960 174.1129 64 F 4.9108 8.6759 126.9502 56.5032 39.8950 174.9809 65 I 4.3973 8.7545 130.8058 60.4337 39.7790 176.2388 *67 Y 4.7208 8.4865 119.0125 58.0676 39.7587 177.5343 68 R 3.6198 7.0406 118.1002 58.4769 30.2676 176.6746 69 Y 4.2559 7.7426 113.2965 57.6295 38.5832 174.5564 70 I 4.3501 7.5015 122.1125 61.0618 37.3360 176.0446 71 V 4.0443 9.0468 128.9106 65.4989 31.9788 175.4783 72 H 4.9645 7.7070 113.3085 54.7990 31.7246 171.8534 73 I 5.0974 8.2618 119.3092 59.6466 40.1564 174.7698 74 D 5.0621 9.4136 126.0745 52.4903 44.3365 174.9355 75 S 4.9831 8.5928 115.9727 56.3351 65.5514 173.5685 76 T 4.5846 8.5226 115.3501 61.3193 69.0415 173.5195 77 E 4.7230 7.7288 120.3796 54.8311 31.8556 175.5023 78 R 3.6018 7.9739 120.3062 54.0113 30.2840 173.6736 79 R 3.7684 8.1072 135.0000 55.7007 28.5286 176.0935 80 I 3.9584 8.2077 116.7685 60.2824 38.7461 174.8243 81 D 5.0257 8.6120 122.8551 52.3871 44.4166 175.9786 *83 R 3.8081 8.3262 117.0138 56.0697 32.0623 177.8575 84 E 3.9301 8.1452 117.0545 59.2298 29.5890 178.5796 85 F 3.3066 8.2131 120.4313 60.8598 39.2979 176.7551 86 A 3.8674 8.0264 119.8193 55.2219 17.9675 179.4839 87 K 3.8439 7.8860 115.6329 59.8719 32.3003 179.3308 88 Q 4.0341 8.1246 118.0284 58.7687 28.5729 178.5720 89 A 3.8881 8.0063 122.1667 54.9128 18.1818 179.1777 90 E 3.9680 8.2505 118.0022 59.4517 29.4001 179.1873 91 K 4.0115 7.6876 117.6213 58.5477 32.1309 178.5705 92 I 3.8942 7.3232 118.5864 61.6493 39.1217 176.0446 93 F 4.9455 8.2711 116.5058 54.5293 38.9008 173.5406 94 P 4.5524 0.0000 0.0000 63.6986 32.0443 176.9844 95 G 3.5857 8.7895 109.2246 46.4722 0.0000 173.9576 *97 V 4.1412 7.4367 116.2606 62.4770 33.1288 175.0363 98 K 4.6410 8.8266 127.8847 54.9090 35.5551 174.1172 99 Y 4.8649 8.8189 128.6603 56.9939 40.2758 174.6728 100 I 4.1297 7.7432 127.9033 59.0898 38.4928 176.1488 101 E 3.8411 8.4475 126.2862 58.9941 29.9082 178.4655 102 E 4.0555 8.2393 118.4767 58.8601 29.4852 177.6530 103 T 4.3265 7.5233 104.3332 60.2678 69.9113 172.9221 104 N 4.0872 7.8536 119.5027 55.3533 37.8097 172.9710 105 V 4.6660 7.0714 115.1151 60.9329 36.4343 174.0696 106 V 4.8545 8.6995 123.8856 61.0919 34.0808 174.1335 107 L 4.9311 8.9640 128.7683 53.7124 43.4895 175.6307 108 I 4.3004 8.4129 124.8905 60.2582 39.3476 176.6747 109 G 3.8780 8.4063 118.5209 45.4046 0.0000 171.5606 110 D 4.5437 8.5821 116.5782 54.9723 41.6957 177.9845 111 K 4.5257 7.9423 115.2378 55.9500 33.7086 175.3367 112 V 4.5816 7.5678 120.2699 60.9197 34.5208 174.2563 113 R 4.9630 8.8920 127.2855 54.4457 33.5333 173.8340 114 V 4.5843 8.6446 125.9268 61.2723 34.3584 174.6317 115 S 4.9589 8.1061 123.7924 56.1908 65.8786 174.5527 116 E 4.3203 8.9107 116.4896 58.6199 29.3786 177.4138 117 I 4.1171 8.2051 119.4720 61.0767 38.0208 174.7384 118 G 3.1132 6.6199 106.7138 42.9263 0.0000 172.8059 119 V 4.0395 7.5071 119.5585 61.9079 32.3740 174.9948 120 E 4.4463 10.3369 127.4241 53.1527 31.5872 175.8939 121 G 4.6028 7.5925 112.7674 44.1374 0.0000 171.1535 122 V 4.3587 7.4198 112.5809 60.1291 35.7831 175.6633 123 G 3.9454 8.5802 107.3074 44.4753 0.0000 172.4923 124 P 4.2599 0.0000 0.0000 65.6093 31.1089 179.0867 125 V 3.7035 7.8193 116.0865 66.1595 31.5122 177.7323 126 A 4.0863 7.9947 119.9336 55.1970 18.2161 179.3540 127 E 3.9535 8.3687 117.1618 59.5438 29.4988 179.4678 128 R 3.9868 8.7965 118.8953 59.4154 30.0638 178.3931 129 A 4.3929 8.9014 121.0004 55.0992 18.3777 179.4074 130 K 4.1032 8.5396 118.5065 59.8299 32.4079 179.0614 131 R 4.0038 8.2054 118.2067 59.2972 29.9644 178.8112 132 L 4.0968 8.4376 120.2607 58.2769 42.2896 178.7092 133 F 4.4816 9.5340 121.8538 61.5332 39.0442 176.9382 134 E 3.9427 8.4176 117.4411 59.5008 29.5323 178.9126 135 E 4.1484 8.3372 118.3304 58.9320 29.2841 178.9149 136 F 4.3490 8.2597 120.5515 61.3799 39.5463 176.6857 137 L 3.7083 7.3534 113.6691 54.3429 41.1823 177.2874 138 K 4.1566 8.2257 125.0460 56.9699 32.8267 174.7767 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 12 F 8.18 4.81 0.00 3.26 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 3.46 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 1.02 0.00 0.00 0.91 0.00 0.00 14 A 8.76 4.00 1.32 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 0.00 0.00 0.00 15 E 8.26 4.11 0.00 2.03 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 2.67 2.50 0.00 16 L 8.18 4.03 0.00 1.93 1.78 1.11 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.37 4.51 0.00 3.05 2.93 0.00 0.00 6.79 6.08 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 18 N 7.91 4.52 0.00 2.83 3.04 0.00 0.00 7.14 7.63 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 19 L 8.00 4.56 0.00 1.80 1.65 0.89 0.56 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 20 L 7.10 4.39 0.00 1.67 1.62 1.02 1.01 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 21 G 9.19 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 22 R 7.68 4.71 0.00 1.87 2.00 0.00 3.30 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 23 E 8.58 4.74 0.00 1.99 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 2.29 2.49 0.00 24 V 8.95 4.75 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 0.62 0.00 0.00 1.01 0.00 0.00 25 Q 8.95 5.05 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.30 4.80 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 1.02 0.00 0.00 0.98 0.00 0.00 27 V 8.48 4.43 1.74 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 0.93 0.00 0.00 0.86 0.00 0.00 28 L 8.84 5.36 0.00 1.91 1.73 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.16 4.36 0.00 4.04 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 30 N 8.24 4.64 0.00 2.85 2.95 0.00 0.00 6.28 7.00 0.00 0.00 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 8.13 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.38 4.42 0.00 2.11 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 2.33 2.44 0.00 33 V 7.94 4.78 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 0.91 0.00 0.00 34 Y 9.05 4.95 0.00 2.97 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 35 K 8.81 4.92 0.00 1.79 1.60 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.33 1.59 7.81 36 G 8.22 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 0.00 0.00 0.00 0.00 37 V 7.80 4.35 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 0.70 0.00 0.00 0.94 0.00 0.00 38 L 9.11 4.24 0.00 1.80 1.73 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.32 4.67 0.00 3.20 3.37 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.58 4.71 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 41 V 8.32 5.02 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 0.94 0.00 0.00 0.97 0.00 0.00 42 D 8.28 5.08 0.00 2.90 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 43 N 8.61 4.24 0.00 2.68 2.86 0.00 0.00 6.82 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 44 Q 8.00 3.93 0.00 1.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 45 L 7.95 3.80 0.00 1.76 1.89 1.04 1.00 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 46 N 8.69 4.87 0.00 3.01 2.86 0.00 0.00 6.82 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 47 I 8.79 4.87 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.28 0.94 0.00 0.00 48 V 8.60 4.64 2.14 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 0.70 0.00 0.00 1.17 0.00 0.00 49 L 8.62 5.19 0.00 1.56 1.54 0.98 0.43 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 50 A 9.09 4.94 1.11 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 0.00 0.00 51 N 8.25 4.10 0.00 2.81 2.84 0.00 0.00 6.80 7.48 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 52 A 7.97 5.22 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 53 S 9.39 5.82 0.00 3.89 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 54 N 8.17 5.43 0.00 2.41 1.85 0.00 0.00 6.76 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 55 K 8.50 3.97 0.00 1.69 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.35 7.81 56 A 8.05 4.28 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 57 G 7.87 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 58 E 7.89 4.03 0.00 2.12 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 2.29 2.28 0.00 59 K 7.93 5.10 0.00 1.40 1.56 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.48 7.81 60 F 9.26 4.84 0.00 2.95 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 61 N 9.11 4.44 0.00 2.80 2.85 0.00 0.00 6.90 7.65 0.00 0.00 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 R 7.80 4.93 0.00 1.51 0.94 0.00 3.09 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 63 V 8.24 3.96 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 0.31 0.00 0.00 0.69 0.00 0.00 64 F 8.68 4.91 0.00 2.89 2.97 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 0.00 0.00 0.00 65 I 8.75 4.40 1.97 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 1.10 0.56 0.95 0.00 0.00 *67 Y 8.49 4.72 0.00 3.25 3.47 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 0.00 68 R 7.04 3.62 0.00 1.35 1.44 0.00 2.96 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.00 69 Y 7.74 4.26 0.00 3.09 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 70 I 7.50 4.35 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 1.01 0.00 0.00 71 V 9.05 4.04 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 0.87 0.00 0.00 0.99 0.00 0.00 72 H 7.71 4.96 0.00 3.18 3.37 0.00 5.45 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 73 I 8.26 5.10 1.76 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 1.38 0.73 0.89 0.00 0.00 74 D 9.41 5.06 0.00 2.51 2.51 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 75 S 8.59 4.98 0.00 3.79 3.63 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 76 T 8.52 4.58 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 77 E 7.73 4.72 0.00 1.94 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 2.22 2.22 0.00 78 R 7.97 3.60 0.00 1.75 1.73 0.00 3.30 0.00 0.00 3.18 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 79 R 8.11 3.77 0.00 1.96 2.02 0.00 3.36 0.00 0.00 3.47 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 80 I 8.21 3.96 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.91 0.00 0.00 81 D 8.61 5.03 0.00 2.89 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 *83 R 8.33 3.81 0.00 1.89 1.74 0.00 3.03 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.78 0.00 84 E 8.15 3.93 0.00 2.23 2.38 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 2.48 2.40 0.00 85 F 8.21 3.31 0.00 1.65 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 86 A 8.03 3.87 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 0.00 0.00 0.00 0.00 0.00 87 K 7.89 3.84 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 88 Q 8.12 4.03 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 89 A 8.01 3.89 1.08 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 0.00 0.00 0.00 0.00 0.00 90 E 8.25 3.97 0.00 2.09 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 0.00 2.30 2.39 0.00 91 K 7.69 4.01 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.57 7.81 92 I 7.32 3.89 1.47 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.62 -0.17 0.00 0.00 93 F 8.27 4.95 0.00 2.92 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 94 P 0.00 4.55 0.00 2.18 2.08 0.00 3.55 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 8.79 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 *97 V 7.44 4.14 2.28 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 0.79 0.00 0.00 1.04 0.00 0.00 98 K 8.83 4.64 0.00 1.83 1.57 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.38 7.81 99 Y 8.82 4.86 0.00 3.01 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 0.00 100 I 7.74 4.13 1.63 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 1.18 0.60 0.86 0.00 0.00 101 E 8.45 3.84 0.00 2.20 2.37 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 2.28 2.34 0.00 102 E 8.24 4.06 0.00 1.89 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 2.29 2.35 0.00 103 T 7.52 4.33 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 1.16 0.00 0.00 104 N 7.85 4.09 0.00 2.93 2.92 0.00 0.00 6.81 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 0.00 105 V 7.07 4.67 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 0.98 0.00 0.00 0.91 0.00 0.00 106 V 8.70 4.85 2.35 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 1.08 0.00 0.00 1.30 0.00 0.00 107 L 8.96 4.93 0.00 1.58 1.52 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.41 4.30 1.55 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.76 -0.14 0.00 0.00 109 G 8.41 3.88 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 0.00 0.00 0.00 110 D 8.58 4.54 0.00 2.62 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 0.00 111 K 7.94 4.53 0.00 1.70 1.72 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.57 4.58 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 0.88 0.00 0.00 0.84 0.00 0.00 113 R 8.89 4.96 0.00 1.81 1.62 0.00 3.02 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 114 V 8.64 4.58 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 0.07 0.00 0.00 0.86 0.00 0.00 115 S 8.11 4.96 0.00 3.87 3.88 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 0.00 116 E 8.91 4.32 0.00 2.23 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 2.32 2.38 0.00 117 I 8.21 4.12 1.84 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 1.27 0.60 0.91 0.00 0.00 118 G 6.62 3.11 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 0.00 0.00 0.00 119 V 7.51 4.04 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 0.79 0.00 0.00 0.78 0.00 0.00 120 E 10.34 4.45 0.00 1.84 1.75 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 0.00 2.13 2.15 0.00 121 G 7.59 4.60 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 0.00 0.00 0.00 122 V 7.42 4.36 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.58 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 0.00 0.00 0.00 124 P 0.00 4.26 0.00 2.22 2.16 0.00 3.63 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 2.14 2.18 0.00 125 V 7.82 3.70 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 0.67 0.00 0.00 0.98 0.00 0.00 126 A 7.99 4.09 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 0.00 127 E 8.37 3.95 0.00 2.20 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 2.57 2.49 0.00 128 R 8.80 3.99 0.00 2.05 2.41 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 129 A 8.90 4.39 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 0.00 0.00 130 K 8.54 4.10 0.00 2.09 2.00 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.54 7.81 131 R 8.21 4.00 0.00 2.19 2.05 0.00 3.22 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 132 L 8.44 4.10 0.00 1.97 2.18 0.96 1.08 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 0.00 133 F 9.53 4.48 0.00 2.99 3.23 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 0.00 134 E 8.42 3.94 0.00 2.22 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 2.44 2.73 0.00 135 E 8.34 4.15 0.00 2.15 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 2.36 2.53 0.00 136 F 8.26 4.35 0.00 3.24 3.28 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 0.00 137 L 7.35 3.71 0.00 1.62 1.48 0.63 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.23 4.16 0.00 1.70 1.68 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.