NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4422 8.3049 118.1940 54.7849 32.5851 174.7459 1 S 4.2119 8.2305 115.1646 57.7238 63.7608 172.9034 2 K 4.5661 8.1994 122.1246 56.4132 34.2747 175.7816 3 T 5.3354 8.5274 112.4028 59.9501 72.2597 172.7616 4 I 4.3679 8.6475 123.1181 59.2438 40.7581 174.0680 5 V 4.5706 8.4146 129.5505 61.5418 32.7260 174.5786 6 L 4.6153 9.1626 129.0647 53.3543 43.5302 175.6276 7 S 4.9938 8.5916 120.3693 57.4141 64.2094 174.9345 8 V 4.2432 8.6858 124.7625 60.9593 32.2428 177.1723 9 G 3.9109 8.0527 117.7122 45.9741 0.0000 173.5252 10 E 3.9875 8.8822 123.3116 58.3248 30.0926 177.0155 11 A 4.2244 7.9053 122.0247 52.0156 19.1781 175.9141 12 T 5.1009 8.2060 111.0468 59.9604 72.1166 173.5985 13 R 4.6731 9.6199 121.9361 54.8382 34.3288 174.2518 14 T 4.9027 8.5856 119.8770 61.8088 71.3243 172.9004 15 L 4.9431 8.9834 127.1670 53.4554 44.2132 175.7318 16 T 5.1878 8.6580 119.4312 61.4609 72.2580 172.9386 17 E 3.8812 8.9872 127.9562 56.2051 29.3778 176.2327 18 I 4.3483 8.5086 120.6439 61.2907 39.8887 175.6996 19 Q 4.5066 7.5467 123.2947 54.7573 32.7273 173.6491 20 S 4.8634 8.4205 120.4551 58.2219 64.6659 172.9230 21 T 4.7191 8.4469 118.0469 59.3179 71.4986 173.6036 22 A 4.1463 8.5452 122.9989 55.5401 18.6365 178.9640 23 D 4.5328 8.2645 115.8912 57.1677 41.4110 176.1065 24 R 4.9996 7.4325 111.7664 55.3378 33.1036 173.7343 25 Q 5.1134 9.4410 118.3951 54.5457 32.1244 174.3644 26 I 5.1364 8.8059 121.4063 59.7410 41.1951 174.2396 27 F 5.3698 9.7611 125.6104 55.7321 42.1495 174.3495 28 E 5.2156 9.2198 121.8004 54.2556 33.5291 174.8149 29 E 4.5676 8.9850 125.2232 54.9806 29.8881 178.0524 30 K 4.4428 8.2001 131.8528 55.3582 31.2827 176.8914 31 V 4.4285 7.1167 110.8436 60.6894 36.3367 177.4051 32 G 3.7998 8.6213 108.8307 43.6667 0.0000 171.3715 33 P 4.5001 0.0000 0.0000 62.2891 32.0354 176.4087 34 L 4.0494 8.3683 119.3657 57.6262 41.7800 178.5228 35 V 3.5981 7.6821 118.7036 63.7436 31.7296 175.4942 36 G 3.8754 8.8140 115.6396 46.5818 0.0000 173.6198 37 R 4.0169 8.0055 118.3652 55.1110 30.8515 176.4905 38 L 4.1608 8.6104 124.0894 56.0438 43.1619 175.5120 39 R 5.0897 8.8933 125.7964 54.4307 33.4796 173.4297 40 L 5.2919 9.1930 128.3535 53.6440 45.0001 174.9605 41 T 5.2874 9.1450 122.0111 61.7676 72.1796 172.7606 42 A 5.4651 9.3365 127.8138 50.2709 22.5875 174.9303 43 S 4.9811 9.2269 115.1500 56.7222 67.1198 172.6547 44 L 5.4170 8.0561 120.3363 53.4985 44.6998 175.5758 45 R 4.8370 9.0974 121.0997 55.2779 33.5481 173.5105 46 Q 4.8057 8.3118 117.9857 53.7873 31.2376 175.7744 47 N 4.6202 8.3906 119.8976 52.1294 38.7235 176.4627 48 G 3.4806 8.6272 106.3138 48.8666 0.0000 175.1452 49 A 4.0252 7.9024 121.0506 52.3685 18.5702 177.1419 50 K 3.7521 7.5290 114.1608 58.0210 30.0738 176.0262 51 T 4.6289 8.0763 106.6742 61.5563 70.4137 173.3721 52 A 5.0469 7.7356 122.5937 51.5269 22.9607 174.5564 53 Y 4.9415 9.0992 117.3130 56.2471 41.4027 175.2232 54 R 5.0703 9.1902 122.4935 54.5939 32.9369 174.9804 55 V 4.7811 8.7034 124.7995 61.5060 33.6475 174.1788 56 N 5.6673 9.2824 125.1538 51.3996 41.8896 173.1867 57 L 5.1997 8.7505 124.5040 53.1918 45.8681 175.0784 58 K 5.0622 9.1871 126.7037 54.9430 36.0203 174.1237 59 L 5.0722 9.0700 129.9643 53.3853 44.4951 174.2444 60 D 5.2942 9.2849 126.5363 52.6495 43.8527 174.3470 61 Q 4.5449 9.3784 128.7535 54.1599 30.7522 174.4122 62 A 4.5064 8.5663 128.6982 51.7744 19.8315 176.0037 63 D 4.4318 8.7666 121.7806 52.8040 42.4269 175.1594 64 V 4.6700 8.1790 126.3059 61.2190 33.6329 174.9523 65 V 4.4616 8.5990 121.5105 59.2300 33.8338 175.9658 66 D 4.9166 8.4518 124.1929 52.8809 40.1267 175.5789 67 S 4.1884 8.2382 116.4631 60.2675 63.7726 174.5808 68 G 3.7083 8.2735 114.2600 46.4378 0.0000 173.7155 *75 L 4.2034 8.2133 124.5356 53.8190 42.8020 174.4983 76 P 4.5740 0.0000 0.0000 62.5946 32.0926 175.7294 77 K 4.5722 8.6917 123.1317 54.9560 36.1588 174.8806 78 V 4.2585 8.3420 127.3813 62.2770 31.5185 175.7117 79 R 4.2895 8.8043 128.6668 59.1692 30.4615 176.3693 80 Y 5.0025 7.1556 114.5455 56.4186 41.3668 172.8616 81 T 5.2207 8.6316 109.0278 60.0757 72.0030 173.1863 82 Q 4.8959 9.2103 122.2215 54.3009 32.5326 174.7082 83 V 4.9854 8.3298 120.8572 61.0506 35.2728 174.4536 84 W 4.9833 9.3513 135.0000 55.8751 33.2506 173.8163 85 S 5.4530 8.9296 121.5614 56.9174 65.6678 173.0887 86 H 5.0945 9.5127 118.1598 54.1400 32.5125 172.3505 87 D 5.0032 8.8389 120.9774 52.7542 43.6803 174.4407 88 V 4.3565 8.6841 127.0102 61.5333 33.7321 174.5160 89 T 4.9311 8.6474 124.9598 62.4036 69.6664 174.2739 90 I 4.4120 8.4654 129.1755 59.5891 39.1955 175.8770 91 V 4.3730 8.3442 120.7960 60.4094 32.5851 177.3842 92 A 4.0228 8.7711 127.9127 55.3419 18.2903 178.3836 93 N 4.8090 8.0226 110.2713 52.6628 37.6856 175.3155 94 S 4.4081 7.7426 113.7197 58.5176 64.1826 174.4041 95 T 4.4305 7.6997 112.2482 60.6547 71.4410 175.5649 96 E 3.9122 8.6408 121.9150 59.3695 29.5555 178.7978 97 A 4.0231 8.0343 120.5998 55.2605 18.5185 179.6275 98 S 4.0820 8.0269 112.4776 61.6166 63.1260 176.9564 99 R 3.9218 7.8738 121.3077 58.8640 29.8658 178.9345 100 K 4.0264 8.5147 119.9020 59.5550 32.0861 178.7821 101 S 4.1661 8.4139 113.7198 61.1085 62.3153 175.9599 102 L 3.9139 7.9581 123.0074 58.3655 41.8250 177.7922 103 Y 3.9746 8.0632 119.3595 61.3134 38.7585 178.0373 104 D 4.2202 8.9020 119.5790 57.4525 40.9694 178.9964 105 L 4.0655 8.2094 119.5222 57.6610 41.5594 179.6301 106 T 3.8911 7.7500 115.9762 66.0977 68.5703 176.5914 107 K 3.5674 7.7637 121.9325 59.7148 31.8550 178.7303 108 S 4.0391 7.5305 111.2764 60.9887 62.7169 175.2643 109 L 4.0860 7.9549 123.2154 58.4908 41.5941 179.3437 110 V 3.7042 7.7652 116.3034 65.8510 31.5582 177.5584 111 A 4.0892 7.7374 119.2467 53.6550 18.8909 177.9948 112 T 4.0864 7.2171 108.3680 61.2444 69.7337 176.0359 113 S 4.2044 8.6273 118.8020 61.4793 63.1100 176.6201 114 Q 3.9764 8.1072 121.5133 59.1148 28.6026 178.9592 115 V 3.6856 7.7324 118.6647 65.6878 31.5187 177.6088 116 E 4.0249 8.1869 119.0048 59.5409 29.4731 178.6573 117 D 4.3707 8.3702 118.9644 57.1358 40.6903 178.5492 118 L 4.1601 7.8869 122.2946 57.4023 41.8651 179.1115 119 V 3.5625 7.4855 116.8808 65.6458 31.7439 177.8084 120 V 3.9368 7.8353 116.6685 64.6731 31.2954 176.1437 121 N 4.9157 7.8921 112.9018 51.7054 39.9268 174.3194 122 L 4.5177 7.9881 115.2589 54.1865 39.4946 174.3506 123 V 3.8184 7.1565 118.2226 61.4968 31.8997 173.8312 124 P 4.2775 0.0000 0.0000 62.7239 31.7860 176.2162 125 L 4.0676 8.1195 120.8892 55.2882 42.2591 177.5345 126 G 3.9522 10.0722 109.8509 46.4549 0.0000 174.2530 127 R 4.1990 8.3033 122.4495 56.3589 30.8625 175.4126 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 0 M 8.30 4.44 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 1 S 8.23 4.21 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.20 4.57 0.00 1.79 1.84 0.00 1.81 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.44 7.81 3 T 8.53 5.34 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 4 I 8.65 4.37 1.50 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 0.95 1.48 0.35 0.00 0.00 5 V 8.41 4.57 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 0.84 0.00 0.00 0.92 0.00 0.00 6 L 9.16 4.62 0.00 1.64 1.52 0.86 0.48 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 7 S 8.59 4.99 0.00 3.73 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 8 V 8.69 4.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 9 G 8.05 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 0.00 0.00 0.00 10 E 8.88 3.99 0.00 1.94 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 2.29 2.30 0.00 11 A 7.91 4.22 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 12 T 8.21 5.10 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 13 R 9.62 4.67 0.00 1.59 1.80 0.00 3.07 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 14 T 8.59 4.90 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 1.23 0.00 0.00 15 L 8.98 4.94 0.00 1.51 1.68 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.66 5.19 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 17 E 8.99 3.88 0.00 1.59 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 1.99 1.47 0.00 18 I 8.51 4.35 1.83 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 1.18 0.76 0.95 0.00 0.00 19 Q 7.55 4.51 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 20 S 8.42 4.86 0.00 3.85 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 21 T 8.45 4.72 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 22 A 8.55 4.15 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 23 D 8.26 4.53 0.00 2.73 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 24 R 7.43 5.00 0.00 2.07 2.00 0.00 2.72 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 25 Q 9.44 5.11 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 26 I 8.81 5.14 1.83 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 1.26 0.82 0.94 0.00 0.00 27 F 9.76 5.37 0.00 2.87 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 28 E 9.22 5.22 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 29 E 8.98 4.57 0.00 1.98 1.90 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 2.33 2.26 0.00 30 K 8.20 4.44 0.00 1.79 1.77 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.63 7.81 31 V 7.12 4.43 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 0.73 0.00 0.00 0.97 0.00 0.00 32 G 8.62 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 33 P 0.00 4.50 0.00 2.18 2.06 0.00 3.77 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 2.12 1.97 0.00 34 L 8.37 4.05 0.00 1.65 1.78 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.68 3.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 36 G 8.81 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 37 R 8.01 4.02 0.00 1.82 2.03 0.00 3.37 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 38 L 8.61 4.16 0.00 1.78 1.58 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.89 5.09 0.00 1.94 1.75 0.00 3.13 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 40 L 9.19 5.29 0.00 1.76 1.54 0.98 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.15 5.29 4.30 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 1.26 0.00 0.00 42 A 9.34 5.47 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 43 S 9.23 4.98 0.00 4.07 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 44 L 8.06 5.42 0.00 1.73 1.61 0.95 0.75 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 45 R 9.10 4.84 0.00 1.90 2.00 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 46 Q 8.31 4.81 0.00 1.76 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 1.33 2.08 0.00 47 N 8.39 4.62 0.00 2.86 2.95 0.00 0.00 7.04 7.27 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 48 G 8.63 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.90 4.03 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 50 K 7.53 3.75 0.00 1.87 1.84 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.30 7.81 51 T 8.08 4.63 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 1.23 0.00 0.00 52 A 7.74 5.05 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 53 Y 9.10 4.94 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 9.19 5.07 0.00 1.70 1.87 0.00 3.31 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 55 V 8.70 4.78 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 0.99 0.00 0.00 0.97 0.00 0.00 56 N 9.28 5.67 0.00 2.71 2.72 0.00 0.00 6.07 6.54 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 57 L 8.75 5.20 0.00 1.80 1.54 0.91 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 58 K 9.19 5.06 0.00 1.89 1.64 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 59 L 9.07 5.07 0.00 1.82 1.57 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.28 5.29 0.00 2.75 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 61 Q 9.38 4.54 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 62 A 8.57 4.51 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 63 D 8.77 4.43 0.00 1.75 1.54 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 0.00 0.00 0.00 0.00 64 V 8.18 4.67 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 0.89 0.00 0.00 0.94 0.00 0.00 65 V 8.60 4.46 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 0.76 0.00 0.00 0.92 0.00 0.00 66 D 8.45 4.92 0.00 2.71 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 67 S 8.24 4.19 0.00 3.88 3.86 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 68 G 8.27 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 L 8.21 4.20 0.00 1.64 1.62 0.92 1.06 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 76 P 0.00 4.57 0.00 2.07 1.96 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 77 K 8.69 4.57 0.00 1.79 1.57 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 78 V 8.34 4.26 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 0.84 0.00 0.00 0.90 0.00 0.00 79 R 8.80 4.29 0.00 1.57 2.17 0.00 3.30 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 80 Y 7.16 5.00 0.00 3.02 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 81 T 8.63 5.22 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 82 Q 9.21 4.90 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 83 V 8.33 4.99 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 0.87 0.00 0.00 0.98 0.00 0.00 84 W 9.35 4.98 0.00 3.49 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.93 5.45 0.00 3.95 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 86 H 9.51 5.09 0.00 3.06 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.84 5.00 0.00 2.68 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 88 V 8.68 4.36 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 0.96 0.00 0.00 0.99 0.00 0.00 89 T 8.65 4.93 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 1.24 0.00 0.00 90 I 8.47 4.41 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 1.26 0.87 0.95 0.00 0.00 91 V 8.34 4.37 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 0.86 0.00 0.00 1.02 0.00 0.00 92 A 8.77 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.02 4.81 0.00 2.85 2.93 0.00 0.00 6.05 7.64 0.00 0.00 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 S 7.74 4.41 0.00 4.06 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 95 T 7.70 4.43 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 96 E 8.64 3.91 0.00 2.05 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 2.37 2.37 0.00 97 A 8.03 4.02 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 98 S 8.03 4.08 0.00 4.12 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 99 R 7.87 3.92 0.00 2.06 2.03 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 100 K 8.51 4.03 0.00 1.89 2.07 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.63 7.81 101 S 8.41 4.17 0.00 4.02 4.03 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 0.00 102 L 7.96 3.91 0.00 1.99 1.87 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.06 3.97 0.00 3.18 3.20 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 0.00 104 D 8.90 4.22 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.21 4.07 0.00 1.71 1.69 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.75 3.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 107 K 7.76 3.57 0.00 1.12 1.65 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.29 7.81 108 S 7.53 4.04 0.00 3.88 3.82 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 0.00 109 L 7.95 4.09 0.00 1.95 1.86 0.94 0.80 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 0.00 110 V 7.77 3.70 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 0.64 0.00 0.00 1.03 0.00 0.00 111 A 7.74 4.09 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 0.00 112 T 7.22 4.09 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 1.32 0.00 0.00 113 S 8.63 4.20 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.11 3.98 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 115 V 7.73 3.69 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 1.24 0.00 0.00 1.01 0.00 0.00 116 E 8.19 4.02 0.00 2.16 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 2.34 2.41 0.00 117 D 8.37 4.37 0.00 2.99 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 0.00 118 L 7.89 4.16 0.00 1.89 1.82 0.90 0.74 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 0.00 119 V 7.49 3.56 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 0.88 0.00 0.00 0.67 0.00 0.00 120 V 7.84 3.94 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 0.92 0.00 0.00 1.04 0.00 0.00 121 N 7.89 4.92 0.00 2.90 2.73 0.00 0.00 7.06 6.85 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 0.00 122 L 7.99 4.52 0.00 1.72 1.68 0.88 1.00 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 0.00 123 V 7.16 3.82 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 0.95 0.00 0.00 0.93 0.00 0.00 124 P 0.00 4.28 0.00 2.07 1.98 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 125 L 8.12 4.07 0.00 1.63 1.60 0.92 1.04 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 0.00 126 G 10.07 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 0.00 127 R 8.30 4.20 0.00 1.76 1.78 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.