NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.5811 8.1927 119.0321 57.9870 65.9293 172.5506 7 F 4.6546 8.3273 119.1837 56.5403 40.8153 172.0296 8 H 4.5738 8.0794 126.9554 53.8105 30.2338 176.2878 9 K 3.6306 8.6210 126.9008 59.6110 32.7045 177.9978 10 N 4.6469 7.8857 114.7456 51.9135 38.1026 178.7397 11 C 4.5193 7.5443 120.3985 58.4480 32.7520 174.0114 12 E 3.8932 8.8059 128.3457 59.1093 29.3133 177.9645 13 L 4.2867 7.5863 115.6590 55.5431 42.2709 177.1637 14 C 4.3652 7.7625 116.7377 61.4563 28.4597 174.6423 15 T 4.5633 7.7151 107.4632 61.6820 69.6876 174.4680 16 T 4.6706 7.5042 110.9966 59.2132 71.5801 173.8438 17 A 3.9829 8.6686 126.4461 53.8575 18.4712 179.0758 18 G 3.9333 8.0925 102.3899 44.3339 0.0000 173.4197 19 G 3.7956 7.0122 104.9298 45.4277 0.0000 170.6635 20 E 4.1545 7.9871 121.6801 55.8547 30.5112 177.0404 21 I 4.3268 8.4990 128.8092 61.8449 36.9870 175.7848 22 L 4.5956 9.2277 127.8959 55.7956 43.1261 176.8425 23 W 4.8810 7.9525 125.9819 56.7172 34.0045 173.1940 24 Q 4.8693 7.0752 123.1549 54.6493 31.7320 173.4440 25 D 4.5287 8.6102 121.1994 51.1782 42.7737 175.7784 26 A 4.0704 8.6763 120.7963 55.6811 18.6561 178.7258 27 L 4.3978 7.8482 114.9736 58.0275 43.3339 176.5568 28 C 5.5213 9.2174 112.4280 57.2941 33.7798 172.9112 29 R 5.2215 9.4034 115.1436 54.5515 33.1250 174.0377 30 V 5.0153 9.3600 120.9438 61.4979 33.7587 174.8969 31 V 5.0581 8.9945 120.8769 59.7556 35.7572 174.1074 32 H 4.9143 9.4288 124.5335 55.6374 31.0102 174.0327 33 V 4.2443 8.4965 127.0113 61.7291 32.4030 175.6376 34 E 4.0944 8.6854 128.1150 55.4229 28.7492 175.2607 35 N 4.9028 8.2867 122.6617 51.3308 40.8863 175.0803 36 Q 4.0530 8.8554 125.6038 58.9842 29.0019 177.7390 37 D 4.3572 8.1552 116.4850 56.0333 41.5053 176.3663 38 Y 4.8491 7.9621 116.8771 54.9990 38.3853 172.4943 39 P 4.5145 0.0000 0.0000 63.9654 32.3581 178.0610 40 G 3.9753 9.2258 108.7113 45.3016 0.0000 172.8942 41 F 4.5408 8.3521 123.2553 58.8331 40.1578 173.8921 42 C 5.6638 9.3059 123.9468 58.1998 31.9269 173.2582 43 R 5.2927 9.1109 119.3671 54.6498 34.0471 174.6436 44 V 4.7872 8.8958 123.9416 61.7829 33.1644 174.3746 45 I 4.8877 8.8592 129.9527 59.0208 39.6329 175.2122 46 L 4.4586 8.4916 129.7371 55.4571 41.9814 176.8210 47 N 4.7297 9.4780 124.6022 55.8296 38.9845 175.7086 48 R 4.6028 7.8204 113.2971 54.6200 32.0904 176.1352 49 H 4.0097 8.5416 120.9166 56.0563 30.0077 174.6808 50 V 4.3135 7.6521 125.3431 61.2721 34.6538 175.8843 51 K 4.1702 8.8451 128.5131 58.4256 33.6401 176.5984 52 E 4.5274 7.8342 119.0433 56.4899 29.3560 178.9827 *54 S 4.4931 8.6327 121.3508 58.9444 64.5714 174.3983 55 D 4.5165 7.8803 120.4455 56.0578 41.0097 176.7495 56 L 4.4002 7.5863 118.5470 53.5922 42.8727 177.3712 57 R 4.0651 8.2124 120.5094 55.8642 31.8650 176.3513 58 P 4.2389 0.0000 0.0000 66.0011 31.3826 178.8155 59 A 4.0332 8.0265 118.8280 55.2007 18.2225 179.4425 60 E 3.9877 8.0177 116.6394 59.4578 29.4399 179.3548 61 R 3.9583 7.9257 117.1327 59.4943 30.2699 178.5123 62 D 4.4972 7.9910 116.9875 57.6185 41.1539 178.0408 63 H 4.3251 8.2714 118.6232 59.0441 29.8187 178.0566 64 L 3.6911 7.9475 120.3851 55.5673 42.0296 178.5356 *66 L 4.2254 7.8967 118.5658 54.3082 43.8615 179.4891 67 V 3.2259 7.4550 117.6247 65.6675 31.2626 178.1295 68 V 3.3268 7.4286 118.0179 66.1480 31.2887 178.1605 69 F 4.3648 7.3125 116.5129 60.3087 38.7726 177.4234 70 A 3.9543 8.1436 120.8646 55.0135 18.1069 179.8883 71 V 3.4939 7.7531 116.8764 65.9029 31.5089 177.7878 72 E 3.9217 8.3769 119.3018 59.4499 29.4261 178.6778 73 E 3.9163 8.3303 118.2579 59.4278 29.5274 179.3118 74 A 3.9766 8.0699 120.8163 55.0254 18.2208 179.8787 75 V 3.5883 8.1907 116.2820 66.1360 31.5766 178.2043 76 R 4.0374 8.2684 118.1296 59.1382 29.6887 178.6772 77 E 4.0175 8.0990 118.0079 59.2294 29.7721 178.3324 78 V 3.8610 7.4581 114.4719 63.4047 32.6859 176.4599 *80 R 4.2773 7.8784 114.4285 55.7778 30.7734 172.7922 81 P 3.6896 0.0000 0.0000 61.8154 32.9372 176.8484 82 D 4.4285 7.5656 118.8007 56.8846 41.3344 177.0072 83 K 4.5676 7.4994 117.5565 55.1538 35.8532 174.4413 84 I 4.7859 8.2613 126.2563 59.9042 39.0001 174.6261 85 N 5.1115 8.9590 123.8620 51.4268 41.3793 173.6455 86 L 5.7730 8.7767 121.4287 52.1514 45.0736 175.7555 87 A 4.7050 8.7784 123.0360 50.8174 22.9555 174.9035 88 S 4.0673 7.8627 115.2188 55.6251 63.8606 172.0757 89 L 4.1788 8.3361 124.7706 54.3972 43.8129 177.9559 90 G 4.0047 7.7152 103.7019 46.6959 0.0000 174.3141 91 N 4.4211 7.9915 112.8535 54.3423 38.1602 175.8518 *93 T 4.0665 7.6264 116.2915 62.9487 68.5368 171.6943 94 P 4.8308 0.0000 0.0000 61.1523 29.7262 175.5580 95 H 4.8010 7.5695 118.4368 54.6402 32.8719 172.6184 96 V 3.6915 8.4221 128.0547 64.1269 31.8867 174.4772 97 H 5.3734 8.4412 121.3624 54.3067 32.1290 172.0441 98 W 4.9410 9.4417 121.1641 55.3126 31.7686 174.8056 99 H 5.2416 9.3489 123.0838 55.4858 30.0117 174.5784 100 V 4.4308 9.2146 123.4846 61.3257 33.9293 174.0986 101 I 4.4430 8.4914 130.0313 58.4495 39.8891 173.2486 102 P 4.7370 0.0000 0.0000 62.4201 32.1602 175.7843 103 R 5.0454 9.0214 123.9157 54.4249 33.2072 175.2422 104 F 4.9128 9.5032 119.8715 55.3448 42.7852 176.4659 105 K 3.1178 9.1169 121.7720 59.0778 31.9347 178.2957 106 R 4.3603 7.8045 115.1989 55.9031 30.3648 175.8632 107 D 4.6261 7.9029 118.7419 52.3487 40.5455 176.4218 108 R 4.1063 8.4403 118.9791 58.9952 30.2216 177.2995 109 H 4.9485 8.1412 112.8301 55.5471 30.7096 174.2001 110 F 4.0423 8.5835 121.9051 58.4034 39.3676 172.7575 111 P 3.1021 0.0000 0.0000 62.1566 31.3434 175.6559 112 N 4.4835 7.8448 116.8364 52.9986 39.2016 174.9743 113 S 4.1889 8.2372 114.3548 58.1488 63.6386 175.6833 114 V 3.2703 7.2570 113.7471 62.8785 31.0991 177.0763 115 W 4.6411 7.2851 118.3586 56.4746 29.8563 176.6538 116 G 4.2493 7.3431 109.0986 44.3284 0.0000 173.1956 117 E 4.2811 8.6081 119.8498 55.8952 30.3013 176.8450 118 T 4.1298 8.4308 113.0693 61.8300 69.4928 174.2026 119 K 4.4654 8.9250 123.3180 57.1171 34.2331 176.0992 120 R 4.5191 7.3434 112.2820 54.9541 31.8404 173.6651 121 E 4.2565 8.4670 119.5624 55.7918 30.3693 175.9815 122 S 4.4956 8.3560 121.1703 57.8836 65.7131 174.9986 123 L 4.6416 8.1386 125.4459 51.3488 41.2488 170.5556 124 P 4.4036 0.0000 0.0000 62.1232 32.6184 177.8461 125 Q 4.0323 8.3750 119.0864 54.4184 28.3799 176.4319 126 A 4.2435 8.4575 126.5824 50.8849 19.0933 176.9566 127 L 4.0633 8.3271 120.4489 55.0337 42.4126 178.0212 128 D 4.7930 8.5778 125.3129 54.0370 43.3405 178.2700 129 Q 4.1870 8.6052 122.0912 60.4782 27.9994 178.5759 130 G 3.8666 8.0211 106.5727 47.8723 0.0000 175.9610 131 S 4.2042 7.9668 116.9754 61.4777 63.0067 176.5649 132 T 3.8314 7.9408 118.4142 67.0891 68.2065 176.7209 133 T 3.8714 8.3905 117.7037 66.6049 68.3568 176.5797 134 A 4.0419 8.0395 122.6772 54.9516 18.3914 179.6333 135 L 3.9344 8.4304 117.8699 57.9430 41.7601 179.7201 136 K 4.0546 8.3384 120.8254 60.2349 31.9655 180.2090 137 K 4.0416 8.5469 123.9048 59.8066 31.1988 180.8198 138 A 4.1965 8.3712 122.6614 54.8803 18.1292 179.9702 139 I 3.4390 7.9206 118.4579 64.4131 37.2611 178.3936 140 S 4.4703 8.4584 115.5924 60.9540 62.0555 176.6982 141 V 3.8521 7.9679 120.5756 64.4672 31.1357 178.1231 142 R 4.1010 7.3254 117.9313 58.3114 30.2554 177.8706 143 L 4.5616 7.8287 116.6317 54.4120 43.0220 176.7026 144 D 4.8514 8.6391 122.5471 53.6716 39.7764 177.3058 145 Q 4.2212 8.1984 121.0126 55.2683 28.9118 173.2409 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 6 S 8.19 4.58 0.00 3.44 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 7 F 8.33 4.65 0.00 2.99 2.95 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 8 H 8.08 4.57 0.00 2.94 3.02 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.62 3.63 0.00 1.97 2.09 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.43 7.81 10 N 7.89 4.65 0.00 2.76 2.73 0.00 0.00 6.55 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 11 C 7.54 4.52 0.00 2.86 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 12 E 8.81 3.89 0.00 1.99 1.88 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 2.33 2.31 0.00 13 L 7.59 4.29 0.00 1.29 1.29 0.54 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.76 4.37 0.00 2.91 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 15 T 7.72 4.56 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 1.15 0.00 0.00 16 T 7.50 4.67 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 1.24 0.00 0.00 17 A 8.67 3.98 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 18 G 8.09 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 19 G 7.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.99 4.15 0.00 2.14 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 2.36 2.33 0.00 21 I 8.50 4.33 1.90 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 1.38 0.68 0.93 0.00 0.00 22 L 9.23 4.60 0.00 1.62 1.83 1.02 0.94 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 23 W 7.95 4.88 0.00 3.41 3.07 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 0.00 0.00 0.00 0.00 24 Q 7.08 4.87 0.00 1.64 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 25 D 8.61 4.53 0.00 2.76 2.39 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 26 A 8.68 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.85 4.40 0.00 1.86 1.94 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 C 9.22 5.52 0.00 3.24 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.40 5.22 0.00 1.97 2.05 0.00 2.77 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 30 V 9.36 5.02 2.32 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 1.07 0.00 0.00 1.09 0.00 0.00 31 V 8.99 5.06 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 0.80 0.00 0.00 1.05 0.00 0.00 32 H 9.43 4.91 0.00 3.25 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.50 4.24 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 0.49 0.00 0.00 0.82 0.00 0.00 34 E 8.69 4.09 0.00 1.96 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 2.25 2.26 0.00 35 N 8.29 4.90 0.00 2.55 2.77 0.00 0.00 7.12 7.21 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 36 Q 8.86 4.05 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.87 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 37 D 8.16 4.36 0.00 2.70 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 0.00 0.00 0.00 38 Y 7.96 4.85 0.00 3.36 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 39 P 0.00 4.51 0.00 2.24 2.11 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 40 G 9.23 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 41 F 8.35 4.54 0.00 3.39 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 42 C 9.31 5.66 0.00 3.05 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 43 R 9.11 5.29 0.00 1.82 1.90 0.00 3.16 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 44 V 8.90 4.79 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 0.91 0.00 0.00 0.96 0.00 0.00 45 I 8.86 4.89 1.94 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 1.17 0.65 0.92 0.00 0.00 46 L 8.49 4.46 0.00 1.76 1.69 1.05 1.03 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 47 N 9.48 4.73 0.00 2.74 2.92 0.00 0.00 6.95 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.82 4.60 0.00 1.85 1.96 0.00 3.06 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 49 H 8.54 4.01 0.00 3.20 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.65 4.31 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 1.03 0.00 0.00 0.90 0.00 0.00 51 K 8.85 4.17 0.00 1.70 1.94 0.00 1.58 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.36 7.81 52 E 7.83 4.53 0.00 2.01 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 2.18 2.32 0.00 *54 S 8.63 4.49 0.00 4.01 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 55 D 7.88 4.52 0.00 2.89 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 56 L 7.59 4.40 0.00 1.67 1.62 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.21 4.07 0.00 1.97 1.87 0.00 3.26 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 58 P 0.00 4.24 0.00 2.17 2.14 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 59 A 8.03 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.02 3.99 0.00 2.23 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 2.43 2.42 0.00 61 R 7.93 3.96 0.00 1.99 2.04 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 62 D 7.99 4.50 0.00 2.83 2.75 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 0.00 0.00 0.00 63 H 8.27 4.33 0.00 3.29 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.95 3.69 0.00 1.94 1.75 1.03 1.03 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 *66 L 7.90 4.23 0.00 1.84 1.64 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.45 3.23 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 0.79 0.00 0.00 0.76 0.00 0.00 68 V 7.43 3.33 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 0.38 0.00 0.00 0.41 0.00 0.00 69 F 7.31 4.36 0.00 3.01 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 70 A 8.14 3.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.75 3.49 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 0.89 0.00 0.00 72 E 8.38 3.92 0.00 2.11 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 0.00 2.32 2.37 0.00 73 E 8.33 3.92 0.00 2.23 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 2.30 2.51 0.00 74 A 8.07 3.98 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 75 V 8.19 3.59 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 0.89 0.00 0.00 1.05 0.00 0.00 76 R 8.27 4.04 0.00 2.02 1.94 0.00 3.15 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 77 E 8.10 4.02 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 78 V 7.46 3.86 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 0.92 0.00 0.00 1.01 0.00 0.00 *80 R 7.88 4.28 0.00 1.95 1.97 0.00 3.32 0.00 0.00 3.96 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 81 P 0.00 3.69 0.00 1.96 1.48 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 82 D 7.57 4.43 0.00 2.20 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.50 4.57 0.00 1.92 1.68 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.55 7.81 84 I 8.26 4.79 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.93 0.00 0.00 85 N 8.96 5.11 0.00 2.46 2.66 0.00 0.00 6.53 7.31 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 86 L 8.78 5.77 0.00 1.68 1.81 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.78 4.70 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 88 S 7.86 4.07 0.00 2.72 2.63 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 89 L 8.34 4.18 0.00 1.35 1.29 -0.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.72 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 91 N 7.99 4.42 0.00 2.62 2.78 0.00 0.00 7.10 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 *93 T 7.63 4.07 4.21 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 1.15 0.00 0.00 94 P 0.00 4.83 0.00 2.18 2.26 0.00 3.81 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 1.90 0.00 95 H 7.57 4.80 0.00 2.95 3.06 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.42 3.69 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 0.95 0.00 0.00 0.96 0.00 0.00 97 H 8.44 5.37 0.00 3.28 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 9.44 4.94 0.00 3.26 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 9.35 5.24 0.00 3.27 3.34 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 9.21 4.43 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 0.99 0.00 0.00 0.99 0.00 0.00 101 I 8.49 4.44 1.41 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.16 0.00 0.00 102 P 0.00 4.74 0.00 2.12 2.06 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 103 R 9.02 5.05 0.00 1.79 2.13 0.00 3.12 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 104 F 9.50 4.91 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.12 3.12 0.00 1.57 1.79 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 0.97 7.81 106 R 7.80 4.36 0.00 1.76 1.92 0.00 3.16 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 107 D 7.90 4.63 0.00 2.73 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 0.00 108 R 8.44 4.11 0.00 1.72 1.85 0.00 3.24 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 109 H 8.14 4.95 0.00 3.50 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.58 4.04 0.00 3.37 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 0.00 111 P 0.00 3.10 0.00 1.81 1.55 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 112 N 7.84 4.48 0.00 2.91 2.79 0.00 0.00 6.90 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 0.00 113 S 8.24 4.19 0.00 4.04 4.08 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 0.00 114 V 7.26 3.27 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 -0.21 0.00 0.00 -0.58 0.00 0.00 115 W 7.29 4.64 0.00 3.52 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.34 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 0.00 0.00 0.00 0.00 117 E 8.61 4.28 0.00 2.01 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 2.35 2.33 0.00 118 T 8.43 4.13 4.21 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 1.22 0.00 0.00 119 K 8.92 4.47 0.00 1.73 1.90 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.80 7.81 120 R 7.34 4.52 0.00 1.87 1.88 0.00 3.20 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 121 E 8.47 4.26 0.00 1.93 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 2.26 2.27 0.00 122 S 8.36 4.50 0.00 3.86 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 0.00 123 L 8.14 4.64 0.00 1.64 1.47 0.92 0.92 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 0.00 124 P 0.00 4.40 0.00 2.04 1.89 0.00 3.52 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 125 Q 8.38 4.03 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 126 A 8.46 4.24 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 0.00 127 L 8.33 4.06 0.00 1.67 1.61 0.77 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.58 4.79 0.00 2.77 2.59 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 0.00 129 Q 8.61 4.19 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 130 G 8.02 3.87 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 0.00 0.00 0.00 131 S 7.97 4.20 0.00 3.88 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 0.00 132 T 7.94 3.83 4.39 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 1.27 0.00 0.00 133 T 8.39 3.87 4.44 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 1.23 0.00 0.00 134 A 8.04 4.04 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 0.00 135 L 8.43 3.93 0.00 1.87 1.77 0.94 0.94 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 0.00 136 K 8.34 4.05 0.00 2.05 1.94 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.67 7.81 137 K 8.55 4.04 0.00 1.73 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 138 A 8.37 4.20 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 0.00 139 I 7.92 3.44 1.88 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 1.33 0.66 0.54 0.00 0.00 140 S 8.46 4.47 0.00 4.11 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.97 3.85 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 0.85 0.00 0.00 0.94 0.00 0.00 142 R 7.33 4.10 0.00 1.65 1.93 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 143 L 7.83 4.56 0.00 0.96 1.32 -0.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.64 4.85 0.00 2.90 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 0.00 145 Q 8.20 4.22 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.