NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0100 8.3393 109.7439 45.2886 0.0000 173.8278 4 S 4.3568 8.4095 120.4892 57.4469 64.1204 173.5810 5 H 4.3492 8.6744 116.7646 56.1618 29.0237 178.7034 *7 Y 4.6026 8.0842 121.5486 57.7512 40.6718 176.7568 8 L 3.8657 8.0772 119.5619 57.9501 41.4279 179.7124 9 S 4.1633 8.1070 114.1509 61.3928 62.8077 176.3494 10 K 4.0858 7.8497 120.9750 59.6540 32.2417 178.4619 11 Q 4.1332 7.8194 118.3473 58.6257 28.4782 178.9057 12 L 4.2743 7.8790 117.5420 55.1772 41.4449 178.8699 *14 F 4.6925 7.9810 122.0823 58.3760 41.0999 177.0769 15 L 3.9568 8.3830 120.6991 57.7064 41.2581 179.6662 16 F 4.0031 8.4162 117.9519 60.4270 38.7678 177.1024 17 Y 3.9593 8.0434 118.7151 60.7053 38.7281 178.2085 18 V 3.3439 7.9858 119.4489 65.9184 31.5871 177.8833 19 S 3.9680 8.0311 115.1387 61.7499 62.6786 176.7402 20 S 3.9960 8.0052 115.3989 61.3706 62.1267 176.3610 21 K 3.7220 7.9260 121.3755 59.4715 31.6096 179.2735 22 E 3.9649 8.6443 119.1508 59.2214 29.3253 179.6234 23 I 3.8186 7.7387 119.9732 64.3692 37.2499 178.2413 24 I 3.1949 7.5614 120.6240 64.2961 36.9470 177.8372 25 K 3.6669 7.8841 120.0358 59.8550 32.0121 178.3460 26 K 3.5882 7.6423 118.1175 59.8173 31.9283 178.8603 27 Y 4.0910 7.8865 116.6386 61.3847 37.7552 179.0177 28 T 3.9613 8.5184 116.8649 66.7182 68.3621 176.2767 29 N 4.1954 7.7572 116.9511 56.6623 38.6684 176.6810 30 Y 4.5801 7.3949 115.2386 59.8300 38.5261 177.1288 31 L 4.5772 8.0742 119.4201 55.8749 42.0119 178.8301 32 K 3.9746 7.9849 119.1163 59.6131 32.1127 178.8137 33 E 4.2278 8.2555 111.2903 57.1823 28.8523 176.5562 34 Y 4.6155 7.6039 113.9785 56.7736 40.3254 174.4613 35 D 4.4964 8.5883 118.7594 55.5673 40.2012 173.0256 36 L 4.9416 8.0389 115.5064 52.7041 45.2244 177.2116 37 T 4.5897 8.1160 112.1218 60.3943 72.0564 175.2275 38 Y 4.1359 8.5383 121.8087 61.5282 38.7595 178.5588 39 T 3.7720 8.0897 116.0494 66.1295 68.5237 176.9640 40 G 3.5735 7.9080 107.5823 47.9275 0.0000 175.0849 41 Y 3.9947 8.0273 121.4174 60.3801 38.8284 177.9532 42 I 3.3168 7.3414 119.6712 64.0621 37.4272 178.3273 43 V 3.6651 7.5979 118.8785 65.9058 31.1536 178.3033 44 L 3.5157 7.3457 114.5426 55.9939 42.0423 177.9995 *46 A 4.1857 7.9226 123.3162 51.7180 20.3588 177.6858 47 I 4.1088 7.3899 117.0328 60.0964 37.5719 175.7946 48 E 4.1517 9.1758 126.3736 55.6827 29.7478 176.5751 49 N 4.3493 8.5920 119.7949 54.8504 39.1418 174.8331 50 D 4.0714 8.7143 119.8820 55.5403 38.3699 173.6538 51 E 4.4085 7.7774 120.2922 54.2501 30.5058 175.6150 52 K 4.3853 8.2664 128.2334 54.5851 31.0570 175.0270 53 L 4.3184 8.4898 126.2213 53.4160 43.4724 175.6358 54 N 4.7220 8.4378 123.2502 53.2522 40.8127 175.8525 55 I 3.6566 8.1828 126.6895 64.2579 37.9483 178.3398 56 K 4.0299 7.9178 118.7080 58.7608 32.0924 179.0316 57 K 3.9224 7.9111 119.7616 59.0453 32.0783 178.5616 58 L 3.9421 7.9771 120.9266 58.1644 42.2311 179.0984 59 G 3.6322 8.1089 105.5802 47.8381 0.0000 175.5051 60 E 3.6930 7.8488 120.6448 59.1788 29.3417 179.4698 61 R 3.8105 7.4488 114.2840 58.2048 29.7282 177.8997 62 V 4.1319 7.6111 116.5231 61.4478 31.8137 175.0627 63 F 3.7026 6.7797 113.1153 59.0855 37.2054 175.0975 64 L 4.8604 7.5743 117.6407 52.8795 44.5297 176.6661 65 D 4.8831 8.1848 120.9293 52.0461 42.7428 177.8118 66 S 4.4856 8.5778 115.6960 60.9933 62.6438 176.7138 67 G 3.6220 8.1667 108.9634 47.5814 0.0000 174.4513 68 T 4.3858 8.4342 114.4577 62.7963 68.4244 176.3308 69 L 4.0209 8.3431 123.0252 58.2293 42.2102 178.9588 70 T 3.8532 7.9107 115.6716 66.4009 68.2225 174.9035 71 P 4.3038 0.0000 0.0000 65.2751 31.2865 178.5296 72 L 4.0088 7.6389 118.1213 58.1007 42.0936 178.9100 73 L 4.0185 8.0213 118.9097 57.6089 41.4473 179.7696 74 K 3.9822 7.9499 118.1486 59.3068 31.9222 179.2925 75 K 3.9649 7.7070 119.7285 59.5810 32.1523 178.9284 76 L 4.1899 8.2178 119.2235 57.5427 41.5943 179.0774 77 E 4.2669 8.1291 121.0031 58.5320 29.3209 178.9497 78 K 4.0460 7.8044 118.0168 58.9746 32.1894 178.5884 79 K 4.0279 7.5581 115.6472 55.7737 32.1247 176.4801 80 D 4.4137 7.4749 117.6773 55.8265 38.7927 174.2098 81 Y 4.9459 7.7805 117.9580 58.7101 39.5772 176.0367 82 V 5.0007 7.7655 117.5820 60.9462 36.1196 174.2407 83 V 4.6221 9.1006 124.2977 61.1839 34.5616 174.4178 84 R 5.0365 8.5008 127.1649 55.2804 30.8613 175.8591 85 T 4.4704 8.6624 115.2928 59.2506 71.2420 175.0113 86 R 4.3295 8.1638 128.6168 54.6066 28.9520 174.9291 87 E 3.9339 7.9352 124.8639 59.3799 30.2494 179.2396 *91 E 5.0808 7.7031 114.8185 56.6015 30.8138 176.7806 92 R 4.2871 8.1626 116.8338 56.3367 30.8144 176.1550 93 N 4.7349 7.7308 115.5583 51.2406 39.7748 173.3760 94 L 4.6737 8.1451 119.5169 53.5124 44.3878 175.1333 95 Q 4.9925 9.0801 125.7869 54.7821 31.5538 174.7829 96 I 5.1407 8.8568 121.9430 59.9207 40.8150 174.8475 97 S 4.9945 8.9237 121.1353 56.8769 67.8182 173.0377 98 L 4.6829 8.4063 121.6068 54.4818 43.0383 177.9666 99 T 4.3486 8.4472 113.9335 60.8888 71.9234 175.2785 100 E 4.0033 8.5931 119.8109 59.5783 29.5241 178.6641 101 Q 4.2716 8.1889 117.9980 58.5687 28.7503 178.5105 102 G 3.6461 8.4152 107.1290 47.6864 0.0000 175.9953 103 K 4.1970 8.0953 120.9370 58.4986 32.2996 179.0176 104 A 4.1242 7.9459 120.9327 55.3911 18.4077 179.4113 105 I 3.5711 7.9601 117.0164 64.2490 38.0021 177.9237 106 K 3.9785 7.7324 118.8306 58.7360 31.4959 178.9831 107 S 4.0786 7.9357 113.9674 60.8213 62.3037 174.0103 108 P 4.7903 0.0000 0.0000 65.2844 30.8073 178.2460 109 L 3.9502 7.9291 118.8050 57.5724 41.0535 179.2372 110 A 4.1650 7.9859 120.3728 55.1916 18.1670 179.5557 111 E 4.0395 7.9870 116.0015 59.2753 29.4078 179.6376 112 I 3.4895 7.3584 119.9201 64.4836 37.2774 178.1047 113 S 4.3176 8.2696 114.7148 60.8390 62.0251 176.4160 114 V 3.7036 7.5988 119.5237 65.8683 31.1830 178.1700 115 K 3.8582 7.9109 118.2614 59.3705 31.6169 179.1179 116 V 3.4127 7.8701 117.4675 66.4306 31.6301 177.9596 117 F 4.6007 8.1968 116.9651 60.4829 38.7513 177.5249 118 N 4.4793 8.5858 116.4871 56.3517 38.0764 177.0984 119 E 4.0035 7.8272 118.9908 58.8515 29.5216 178.7046 120 F 4.1683 8.0886 116.5484 57.3893 40.3704 174.9191 121 N 4.1956 7.8656 115.7044 54.3587 36.1539 173.1250 122 I 4.5589 7.2677 109.9673 58.7692 40.9741 176.6131 123 S 4.5079 9.9540 118.0598 57.8055 65.2601 175.1903 124 E 3.9576 8.5763 121.2162 59.3517 29.1058 179.6913 125 R 3.8786 7.8706 118.3855 59.5202 30.2584 178.2348 126 E 3.9500 8.2824 118.1912 59.3291 29.3448 179.2310 127 A 3.9414 8.1956 120.8993 55.2743 18.4423 179.9102 128 S 4.0417 8.1967 113.6650 61.6810 62.8577 176.5811 129 D 4.3520 8.2227 121.6260 57.4636 40.5582 178.9565 130 I 3.6585 7.9032 120.2850 64.3238 37.1037 178.5531 131 I 3.6470 7.8778 120.6451 64.4416 37.0620 178.0621 132 N 4.2936 8.5360 117.5310 56.7220 38.4890 177.2771 133 N 4.4216 8.6059 117.9533 56.2725 38.5760 177.4020 134 L 4.2944 8.3985 120.7506 57.2222 41.5477 179.5768 135 R 3.9366 8.3104 118.0350 59.2836 30.3678 178.0254 136 N 4.4397 8.0787 116.5497 56.8430 38.7150 176.4221 137 F 4.1069 7.9614 120.5785 61.3709 39.5917 176.7204 138 V 3.6888 7.9079 115.1295 64.1054 31.4866 175.9205 139 S 4.2811 7.6793 119.0700 59.6196 62.6830 173.9553 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 G 8.34 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 4 S 8.41 4.36 0.00 4.15 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 5 H 8.67 4.35 0.00 3.24 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *7 Y 8.08 4.60 0.00 3.07 3.18 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 8 L 8.08 3.87 0.00 1.78 1.71 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.11 4.16 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.85 4.09 0.00 1.73 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.51 7.81 11 Q 7.82 4.13 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 12 L 7.88 4.27 0.00 1.96 1.90 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *14 F 7.98 4.69 0.00 3.10 3.21 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 0.00 0.00 0.00 0.00 15 L 8.38 3.96 0.00 1.68 1.52 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.42 4.00 0.00 3.28 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 17 Y 8.04 3.96 0.00 3.08 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 18 V 7.99 3.34 1.70 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 0.67 0.00 0.00 0.17 0.00 0.00 19 S 8.03 3.97 0.00 3.92 3.76 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 20 S 8.01 4.00 0.00 3.93 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 21 K 7.93 3.72 0.00 1.62 1.62 0.00 1.52 0.00 0.00 1.35 0.00 0.00 2.57 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.67 0.77 7.81 22 E 8.64 3.96 0.00 2.09 2.18 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 2.32 2.47 0.00 23 I 7.74 3.82 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 1.08 0.00 0.00 24 I 7.56 3.19 1.75 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.66 0.00 0.00 25 K 7.88 3.67 0.00 1.88 1.89 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 26 K 7.64 3.59 0.00 1.73 1.62 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.44 7.81 27 Y 7.89 4.09 0.00 3.21 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 28 T 8.52 3.96 4.38 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 1.21 0.00 0.00 29 N 7.76 4.20 0.00 2.34 2.51 0.00 0.00 7.14 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 30 Y 7.39 4.58 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.07 4.58 0.00 2.09 2.05 0.92 0.49 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 32 K 7.98 3.97 0.00 1.86 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.70 7.81 33 E 8.26 4.23 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.84 0.00 34 Y 7.60 4.62 0.00 3.24 3.04 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 35 D 8.59 4.50 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 36 L 8.04 4.94 0.00 1.76 1.62 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.12 4.59 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 1.27 0.00 0.00 38 Y 8.54 4.14 0.00 3.03 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 39 T 8.09 3.77 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 1.19 0.00 0.00 40 G 7.91 3.57 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 0.00 0.00 0.00 41 Y 8.03 3.99 0.00 2.86 3.14 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 42 I 7.34 3.32 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.22 0.74 0.00 0.00 43 V 7.60 3.67 2.16 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 0.98 0.00 0.00 0.93 0.00 0.00 44 L 7.35 3.52 0.00 1.60 1.52 0.64 0.61 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 *46 A 7.92 4.19 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 47 I 7.39 4.11 1.81 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 1.25 0.68 0.88 0.00 0.00 48 E 9.18 4.15 0.00 2.05 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 2.38 2.40 0.00 49 N 8.59 4.35 0.00 2.73 2.73 0.00 0.00 7.07 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 50 D 8.71 4.07 0.00 2.81 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 51 E 7.78 4.41 0.00 1.78 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 2.17 2.17 0.00 52 K 8.27 4.39 0.00 1.75 1.72 0.00 1.64 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.37 7.81 53 L 8.49 4.32 0.00 1.75 1.47 0.94 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.44 4.72 0.00 2.85 2.63 0.00 0.00 6.78 7.97 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 55 I 8.18 3.66 2.00 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 1.50 1.16 0.89 0.00 0.00 56 K 7.92 4.03 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.46 7.81 57 K 7.91 3.92 0.00 1.78 1.91 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 58 L 7.98 3.94 0.00 1.86 1.76 0.86 0.77 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 59 G 8.11 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 0.00 0.00 0.00 60 E 7.85 3.69 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 61 R 7.45 3.81 0.00 1.90 1.95 0.00 2.99 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 62 V 7.61 4.13 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 0.86 0.00 0.00 0.87 0.00 0.00 63 F 6.78 3.70 0.00 3.25 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 64 L 7.57 4.86 0.00 1.63 1.55 0.92 0.82 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 65 D 8.18 4.88 0.00 2.94 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 66 S 8.58 4.49 0.00 4.06 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 67 G 8.17 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.39 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 1.37 0.00 0.00 69 L 8.34 4.02 0.00 1.85 1.63 0.90 0.77 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 70 T 7.91 3.85 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 1.21 0.00 0.00 71 P 0.00 4.30 0.00 2.17 2.11 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 72 L 7.64 4.01 0.00 1.81 1.83 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.02 4.02 0.00 1.90 1.71 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.95 3.98 0.00 2.01 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 75 K 7.71 3.96 0.00 1.83 1.95 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.51 7.81 76 L 8.22 4.19 0.00 1.79 1.83 0.94 0.78 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 77 E 8.13 4.27 0.00 2.29 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 2.30 2.38 0.00 78 K 7.80 4.05 0.00 1.93 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 79 K 7.56 4.03 0.00 1.27 1.33 0.00 1.93 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.76 7.81 80 D 7.47 4.41 0.00 2.73 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 81 Y 7.78 4.95 0.00 3.07 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.77 5.00 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 1.04 0.00 0.00 0.98 0.00 0.00 83 V 9.10 4.62 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 0.93 0.00 0.00 0.94 0.00 0.00 84 R 8.50 5.04 0.00 1.92 1.87 0.00 3.33 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 85 T 8.66 4.47 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 86 R 8.16 4.33 0.00 1.78 1.90 0.00 3.25 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 87 E 7.94 3.93 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 *91 E 7.70 5.08 0.00 2.02 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 2.34 2.30 0.00 92 R 8.16 4.29 0.00 1.78 1.96 0.00 3.19 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 93 N 7.73 4.73 0.00 2.79 2.82 0.00 0.00 5.84 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 94 L 8.15 4.67 0.00 1.75 1.53 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 9.08 4.99 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 96 I 8.86 5.14 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.05 0.90 0.00 0.00 97 S 8.92 4.99 0.00 3.73 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 98 L 8.41 4.68 0.00 1.53 1.60 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.45 4.35 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 1.23 0.00 0.00 100 E 8.59 4.00 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 101 Q 8.19 4.27 0.00 2.47 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 102 G 8.42 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.10 4.20 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.69 1.52 7.81 104 A 7.95 4.12 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 0.00 105 I 7.96 3.57 1.85 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 1.28 1.33 0.52 0.00 0.00 106 K 7.73 3.98 0.00 1.94 1.79 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.59 7.81 107 S 7.94 4.08 0.00 3.89 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 0.00 108 P 0.00 4.79 0.00 2.38 2.38 0.00 4.12 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 109 L 7.93 3.95 0.00 1.72 1.97 0.77 0.42 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 0.00 110 A 7.99 4.16 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 0.00 111 E 7.99 4.04 0.00 2.21 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 2.33 2.49 0.00 112 I 7.36 3.49 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.80 0.00 0.00 113 S 8.27 4.32 0.00 4.40 4.29 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 0.00 114 V 7.60 3.70 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 1.00 0.00 0.00 1.04 0.00 0.00 115 K 7.91 3.86 0.00 1.67 1.53 0.00 1.32 0.00 0.00 1.33 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.46 7.81 116 V 7.87 3.41 1.65 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 0.02 0.00 0.00 0.12 0.00 0.00 117 F 8.20 4.60 0.00 3.24 3.16 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 0.00 118 N 8.59 4.48 0.00 2.93 2.89 0.00 0.00 6.91 7.18 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 0.00 119 E 7.83 4.00 0.00 1.86 1.71 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 2.27 2.42 0.00 120 F 8.09 4.17 0.00 3.23 3.14 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 0.00 121 N 7.87 4.20 0.00 2.88 2.86 0.00 0.00 6.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.27 4.56 1.99 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 1.57 0.70 0.96 0.00 0.00 123 S 9.95 4.51 0.00 3.91 4.06 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 0.00 124 E 8.58 3.96 0.00 2.08 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 2.40 2.43 0.00 125 R 7.87 3.88 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 126 E 8.28 3.95 0.00 2.21 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 2.33 2.33 0.00 127 A 8.20 3.94 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 0.00 128 S 8.20 4.04 0.00 4.03 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 0.00 129 D 8.22 4.35 0.00 2.95 2.70 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 0.00 130 I 7.90 3.66 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.83 0.00 0.00 131 I 7.88 3.65 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.89 0.00 0.00 132 N 8.54 4.29 0.00 2.90 2.88 0.00 0.00 7.12 6.94 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 0.00 133 N 8.61 4.42 0.00 2.85 2.88 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.40 4.29 0.00 1.85 1.79 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.31 3.94 0.00 1.92 2.02 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 136 N 8.08 4.44 0.00 2.91 3.04 0.00 0.00 6.93 7.56 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 0.00 137 F 7.96 4.11 0.00 3.27 3.33 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 0.00 138 V 7.91 3.69 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 0.85 0.00 0.00 1.02 0.00 0.00 139 S 7.68 4.28 0.00 3.98 3.76 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 * Residues marked with a * may have inaccurate shift predictions.