NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4597 8.3349 115.4154 58.0013 64.3070 171.3935 3 N 4.8757 7.5855 116.0336 53.0572 42.8998 172.6357 4 T 4.8004 9.0422 114.9719 62.8706 73.2592 173.5722 5 L 4.8589 8.2630 122.2783 53.8052 43.8802 176.2144 6 F 4.5951 7.3936 117.6040 57.6190 42.4422 171.8406 7 D 5.6043 8.6306 124.7753 50.9373 44.6900 174.1202 8 D 4.8048 8.1279 126.4911 54.2323 44.5121 175.3306 9 I 4.6920 7.6278 126.6061 60.8764 38.9247 174.7216 10 F 5.1613 10.3877 124.8346 55.6595 42.9832 173.9204 11 Q 5.0098 9.4050 123.9145 54.2630 31.2036 174.7474 12 V 4.1010 8.5539 128.2772 63.1280 31.8340 176.4805 13 S 4.4122 8.7664 124.0402 60.2944 64.3501 174.2912 14 E 4.7507 7.9629 119.1946 54.1615 33.5751 174.5411 15 V 4.3923 8.3616 123.6548 61.3526 34.2794 173.8737 16 D 4.8790 8.8202 129.0009 51.7402 42.9762 174.1180 17 P 4.9223 0.0000 0.0000 61.4138 29.7001 176.1671 18 G 3.8108 8.3526 112.2123 46.9549 0.0000 171.4323 19 R 3.8177 8.3438 129.1045 57.1119 27.8182 176.2213 20 Y 4.8492 7.8536 112.1990 56.6900 41.9727 175.3045 21 N 4.9478 8.9563 118.6119 53.3161 40.4698 175.3019 22 K 4.7430 8.0610 116.0051 55.7147 34.5227 175.4678 23 V 4.9267 7.7637 118.9392 61.5694 34.8105 174.0391 24 C 4.9718 8.8388 123.1734 58.0702 33.1792 173.1066 25 R 4.7040 9.1999 123.7968 55.1816 30.9900 175.0824 26 I 4.6275 8.8942 128.5889 60.3613 39.4395 175.1078 27 E 5.3781 9.1765 125.4177 53.5091 32.2289 173.7469 28 A 5.2869 8.4665 128.2604 50.1477 22.5068 175.2327 29 A 4.6951 9.0615 123.6719 51.3639 20.9751 175.9889 30 S 4.4412 8.1288 114.3738 57.2012 63.6547 173.7677 31 T 3.8007 7.7419 123.6132 65.5860 68.7934 172.6397 32 T 3.4614 9.1998 125.0733 62.7352 64.9800 172.3885 33 Q 4.3474 8.5237 131.3742 55.0002 29.3027 176.4422 34 D 4.4931 8.7302 124.2399 57.1629 41.1791 178.5448 35 Q 4.0938 8.1316 117.3549 58.7518 29.0231 176.2788 36 C 5.3803 8.0891 119.2517 58.4405 32.7946 173.0017 37 K 4.9747 8.7188 124.0201 54.6755 36.9140 174.6939 38 L 5.0143 8.5790 122.8244 53.7259 45.9307 175.1934 39 T 5.0414 8.4537 121.2376 61.7437 71.9040 172.7530 40 L 5.1238 9.3213 127.6074 53.6524 46.3883 174.0861 41 D 5.2549 8.6051 124.0284 52.8171 42.4406 176.0835 42 I 4.4239 8.4900 124.0248 59.3411 41.4564 174.9242 43 N 5.7475 8.6841 124.0231 52.3246 37.5118 175.3719 44 V 3.9454 8.3018 122.9737 63.8343 31.5799 175.9982 45 E 4.2218 8.5222 119.9320 58.9878 29.9562 176.9561 46 L 4.4648 8.4989 117.4588 56.0302 42.1639 176.9008 47 F 4.7577 8.6439 120.9738 55.1416 39.7320 171.7413 48 P 4.3022 0.0000 0.0000 62.6594 31.9235 175.0536 49 V 4.1035 7.1704 117.4451 62.7512 34.3013 171.2882 50 A 4.1248 7.8084 121.0151 51.8741 22.8689 175.0564 51 A 3.8693 8.7643 120.5540 53.6276 17.9420 176.4051 52 Q 3.6100 8.4320 123.6726 56.8386 26.0517 172.9281 53 D 5.1308 7.8817 120.2812 52.2074 45.2401 175.3194 54 S 4.8265 8.6722 116.2291 57.3243 62.8269 172.5007 55 L 4.7702 9.3583 127.2121 53.8324 43.9104 175.6408 56 T 4.7799 8.2250 120.7964 62.3602 70.1708 174.1070 57 V 5.0577 8.9727 126.3069 61.8679 35.0859 174.3550 58 T 5.3062 8.4583 119.9907 64.2936 72.9356 172.1809 59 I 4.7609 9.1982 123.0243 57.5676 38.6903 180.3074 60 A 3.8087 8.9009 133.0191 54.3974 17.4873 177.8201 61 S 5.4675 8.2085 100.5000 58.2019 65.2473 176.0138 62 S 4.4762 7.1416 124.2148 58.8877 66.7234 178.3964 63 L 4.1114 8.4068 113.2833 54.8700 38.4196 176.6434 *76 T 4.1367 7.4981 116.7170 63.0565 70.3877 170.8751 77 R 3.8543 8.3843 127.0045 54.9807 30.4713 176.6636 78 S 4.2090 8.7603 116.0765 58.2968 63.2389 174.2310 79 W 4.2463 8.8223 133.3575 57.6135 31.0824 174.8189 80 R 4.4381 7.3220 122.0725 53.5086 33.5661 172.0958 81 P 3.9652 0.0000 0.0000 62.7215 34.0105 177.6953 82 P 4.4787 0.0000 0.0000 63.1202 31.9078 175.8147 83 Q 3.8222 8.7266 115.1208 56.9711 27.0557 174.8349 84 A 4.1071 7.5808 117.1741 53.3939 18.3951 178.9829 85 G 3.5454 7.9732 105.1099 47.4070 0.0000 173.8250 86 D 4.9956 8.0503 118.3772 53.7168 42.7643 175.6572 87 R 4.6081 8.5790 119.0070 54.6027 30.9833 175.6054 88 S 4.1889 8.4556 121.0062 60.0841 63.5999 174.8947 89 L 4.5398 7.5871 113.7179 54.7934 43.7775 175.5910 90 A 4.4570 7.9118 123.5136 52.2412 18.0117 177.5960 91 D 4.9884 7.9039 116.4622 54.8568 40.2360 177.3021 92 D 4.6466 8.3535 117.2613 55.8901 40.8732 175.0808 93 Y 4.8967 7.5628 116.3493 56.5709 41.2258 173.8688 94 D 4.9056 9.1719 118.2563 56.3805 42.3141 176.4560 95 Y 4.4335 7.5447 119.2263 56.0416 40.7324 173.9257 96 V 4.9629 7.2997 124.5410 61.8959 34.9325 173.2224 97 M 4.8912 9.1699 125.7059 53.8128 36.7282 173.3116 98 Y 5.0928 8.4206 120.1761 56.5716 42.3121 174.6334 99 G 3.5157 6.9838 109.3333 45.9228 0.0000 171.9582 100 T 4.8713 7.9462 114.7699 60.4210 71.8041 173.6829 101 A 4.2469 8.3421 127.9880 51.1740 19.6799 175.2360 102 Y 4.5159 8.1060 117.4044 57.7426 40.2797 175.7605 103 K 4.7590 7.0706 121.9685 53.6919 35.4966 173.8306 104 F 5.0424 9.1179 125.6732 56.1198 40.4325 174.9549 105 E 4.7818 9.2308 123.3782 54.6336 33.5918 175.8052 106 E 4.5878 8.6852 122.4911 54.8916 28.2982 177.3762 107 V 3.5851 7.9915 122.6415 63.4467 31.6392 176.8266 108 S 4.0537 8.0797 112.6323 58.7568 63.5738 169.5884 109 K 4.2057 8.1943 119.4599 56.5055 31.1372 174.0686 110 D 4.8451 8.4748 111.9949 53.5256 39.9099 175.8154 111 L 5.1178 7.3909 116.0589 54.9110 46.4953 176.6799 112 I 4.7288 9.0981 121.0738 59.9741 42.1306 173.9130 113 A 5.6331 9.0331 126.5199 49.4979 22.9232 175.1052 114 V 4.3836 7.4155 110.1187 59.9079 36.7560 174.0445 115 Y 5.0114 7.9692 119.0222 56.4417 41.2032 174.4941 116 Y 4.6839 9.1004 121.1611 55.9886 42.5223 174.6557 117 S 4.6932 8.5604 116.2002 56.7471 65.4006 173.7586 118 F 4.3515 10.1335 129.8340 56.8535 37.2128 176.1870 119 G 4.0759 9.0930 111.2637 46.9362 0.0000 171.8287 120 G 4.0720 7.7386 109.5527 45.2069 0.0000 175.1873 121 L 4.2830 8.3016 121.1401 54.5523 42.6478 176.6483 122 L 4.9481 9.7259 124.6705 53.8256 44.7291 175.4278 123 M 5.8979 8.7530 119.9829 54.7365 36.4534 173.2787 124 R 4.7612 8.6577 125.8006 54.2703 33.3233 173.4869 125 L 4.8196 8.4244 128.3447 53.0202 44.9154 174.3142 126 E 4.9492 8.1929 126.6091 53.3605 32.4481 173.0397 127 G 4.2377 8.7359 118.4461 46.3470 0.0000 173.2293 128 N 4.2843 7.8330 127.7306 52.9535 43.0062 175.3203 129 Y 4.4279 7.1428 115.6434 58.8856 38.0508 177.3405 130 R 4.0300 7.4213 119.6575 57.8051 30.0496 177.4940 131 N 4.2807 7.6580 116.4929 55.8965 38.5568 175.4462 132 L 4.5103 7.2747 117.8596 56.7241 42.7926 177.8847 133 N 4.4772 8.3206 114.2912 55.5702 38.7584 174.7140 134 N 4.8996 8.1786 116.8826 51.7297 40.1763 175.5462 135 L 4.4230 8.4337 124.8563 55.0843 42.3636 176.9672 136 K 4.3284 8.4673 117.9496 56.7882 33.9891 175.4006 137 Q 4.6233 7.6791 115.3889 54.0772 31.8466 173.6022 138 E 3.6433 8.5462 116.9398 59.7107 29.8924 175.7254 139 N 4.1221 6.9916 115.3783 49.6551 39.9056 174.4803 140 A 5.6341 8.4850 132.1243 52.7292 21.9911 174.8542 141 Y 5.1214 8.4152 119.2281 57.5598 41.0264 174.7885 142 L 4.9145 9.4730 124.8270 53.4050 44.8766 174.9778 143 L 4.9543 8.8780 126.7193 52.8757 44.5587 175.8044 144 I 5.8902 9.0039 123.3784 58.6512 41.4235 174.5328 145 R 5.1662 8.6170 119.9415 55.3426 33.3739 175.3228 146 R 4.1254 9.4976 118.8104 57.0122 30.9132 176.2388 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 2 S 8.33 4.46 0.00 4.00 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 3 N 7.59 4.88 0.00 2.79 2.79 0.00 0.00 6.98 6.65 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 4 T 9.04 4.80 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 1.29 0.00 0.00 5 L 8.26 4.86 0.00 1.78 2.01 1.08 0.88 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 6 F 7.39 4.60 0.00 3.20 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 7 D 8.63 5.60 0.00 2.65 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 0.00 0.00 0.00 8 D 8.13 4.80 0.00 2.52 2.65 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 9 I 7.63 4.69 1.82 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 1.39 0.91 0.94 0.00 0.00 10 F 10.39 5.16 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 11 Q 9.40 5.01 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 12 V 8.55 4.10 2.22 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 0.90 0.00 0.00 1.01 0.00 0.00 13 S 8.77 4.41 0.00 3.95 3.99 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 0.00 0.00 0.00 14 E 7.96 4.75 0.00 2.01 1.76 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 2.27 2.30 0.00 15 V 8.36 4.39 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 0.83 0.00 0.00 0.92 0.00 0.00 16 D 8.82 4.88 0.00 2.87 2.64 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 0.00 0.00 0.00 0.00 17 P 0.00 4.92 0.00 2.15 2.08 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 18 G 8.35 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 0.00 0.00 0.00 19 R 8.34 3.82 0.00 1.80 1.76 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 20 Y 7.85 4.85 0.00 3.00 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 21 N 8.96 4.95 0.00 2.72 2.86 0.00 0.00 6.76 7.61 0.00 0.00 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 K 8.06 4.74 0.00 1.71 1.79 0.00 1.66 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 23 V 7.76 4.93 1.76 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 0.55 0.00 0.00 0.86 0.00 0.00 24 C 8.84 4.97 0.00 2.86 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 25 R 9.20 4.70 0.00 1.93 1.81 0.00 3.09 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 26 I 8.89 4.63 1.79 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 1.08 0.50 0.86 0.00 0.00 27 E 9.18 5.38 0.00 2.02 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 2.19 2.18 0.00 28 A 8.47 5.29 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 29 A 9.06 4.70 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 30 S 8.13 4.44 0.00 3.46 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 31 T 7.74 3.80 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 1.17 0.00 0.00 32 T 9.20 3.46 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 1.13 0.00 0.00 33 Q 8.52 4.35 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 34 D 8.73 4.49 0.00 2.67 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 35 Q 8.13 4.09 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 36 C 8.09 5.38 0.00 3.15 2.99 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 0.00 0.00 0.00 37 K 8.72 4.97 0.00 1.72 1.67 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.44 7.81 38 L 8.58 5.01 0.00 1.17 1.25 0.54 0.24 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 39 T 8.45 5.04 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 1.27 0.00 0.00 40 L 9.32 5.12 0.00 1.48 1.27 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.61 5.25 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.42 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 0.56 0.45 0.68 0.00 0.00 43 N 8.68 5.75 0.00 2.94 2.97 0.00 0.00 6.71 7.59 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 44 V 8.30 3.95 2.10 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 0.92 0.00 0.00 0.99 0.00 0.00 45 E 8.52 4.22 0.00 2.01 2.21 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 2.30 2.35 0.00 46 L 8.50 4.46 0.00 1.84 1.83 0.91 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 47 F 8.64 4.76 0.00 3.42 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 48 P 0.00 4.30 0.00 1.90 1.91 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 49 V 7.17 4.10 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 0.69 0.00 0.00 0.95 0.00 0.00 50 A 7.81 4.12 1.20 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 0.00 0.00 51 A 8.76 3.87 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 52 Q 8.43 3.61 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 53 D 7.88 5.13 0.00 2.58 2.55 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 0.00 0.00 0.00 0.00 54 S 8.67 4.83 0.00 3.90 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 55 L 9.36 4.77 0.00 1.72 1.73 0.97 0.94 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 56 T 8.22 4.78 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 1.33 0.00 0.00 57 V 8.97 5.06 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 1.01 0.00 0.00 0.89 0.00 0.00 58 T 8.46 5.31 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 1.31 0.00 0.00 59 I 9.20 4.76 1.95 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.03 0.87 0.00 0.00 60 A 8.90 3.81 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 61 S 8.21 5.47 0.00 4.12 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 62 S 7.14 4.48 0.00 3.87 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 63 L 8.41 4.11 0.00 1.60 1.63 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.50 4.14 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 1.27 0.00 0.00 77 R 8.38 3.85 0.00 1.99 1.96 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 78 S 8.76 4.21 0.00 4.04 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 79 W 8.82 4.25 0.00 3.23 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 80 R 7.32 4.44 0.00 1.46 1.52 0.00 3.09 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 1.40 1.44 0.00 81 P 0.00 3.97 0.00 1.92 1.40 0.00 3.26 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 82 P 0.00 4.48 0.00 2.16 1.96 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 83 Q 8.73 3.82 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 84 A 7.58 4.11 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 85 G 7.97 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.05 5.00 0.00 2.60 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 87 R 8.58 4.61 0.00 1.68 1.60 0.00 3.21 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 88 S 8.46 4.19 0.00 3.95 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 89 L 7.59 4.54 0.00 1.60 1.91 0.97 0.94 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 90 A 7.91 4.46 1.24 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 0.00 0.00 0.00 91 D 7.90 4.99 0.00 2.89 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 92 D 8.35 4.65 0.00 2.47 2.46 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 0.00 93 Y 7.56 4.90 0.00 2.90 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 94 D 9.17 4.91 0.00 2.84 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 95 Y 7.54 4.43 0.00 1.77 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 0.00 0.00 0.00 0.00 96 V 7.30 4.96 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 0.88 0.00 0.00 0.88 0.00 0.00 97 M 9.17 4.89 0.00 1.66 1.11 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.15 0.00 98 Y 8.42 5.09 0.00 2.36 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 99 G 6.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.87 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 1.12 0.00 0.00 101 A 8.34 4.25 0.02 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 0.00 0.00 102 Y 8.11 4.52 0.00 2.98 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 0.00 103 K 7.07 4.76 0.00 1.95 1.69 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 104 F 9.12 5.04 0.00 2.81 2.99 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 0.00 0.00 0.00 105 E 9.23 4.78 0.00 2.03 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 2.29 2.37 0.00 106 E 8.69 4.59 0.00 2.05 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 2.38 2.32 0.00 107 V 7.99 3.59 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 0.88 0.00 0.00 0.88 0.00 0.00 108 S 8.08 4.05 0.00 4.27 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 0.00 109 K 8.19 4.21 0.00 1.91 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 110 D 8.47 4.85 0.00 2.85 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 0.00 111 L 7.39 5.12 0.00 1.68 1.53 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 I 9.10 4.73 1.83 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 0.53 1.01 0.00 0.00 113 A 9.03 5.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.42 4.38 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 -0.32 0.00 0.00 0.64 0.00 0.00 115 Y 7.97 5.01 0.00 1.83 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 0.00 0.00 0.00 116 Y 9.10 4.68 0.00 2.71 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 0.00 0.00 0.00 117 S 8.56 4.69 0.00 4.02 3.64 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 0.00 0.00 0.00 0.00 118 F 10.13 4.35 0.00 3.31 2.99 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 0.00 0.00 0.00 119 G 9.09 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 0.00 0.00 0.00 120 G 7.74 4.07 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 0.00 0.00 0.00 121 L 8.30 4.28 0.00 1.90 1.85 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.73 4.95 0.00 1.80 1.70 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.75 5.90 0.00 2.34 1.90 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 124 R 8.66 4.76 0.00 1.88 1.62 0.00 3.20 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 1.00 0.50 0.00 125 L 8.42 4.82 0.00 1.44 1.14 0.73 -0.18 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 0.00 126 E 8.19 4.95 0.00 1.97 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 2.14 2.15 0.00 127 G 8.74 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 0.00 0.00 0.00 0.00 128 N 7.83 4.28 0.00 2.76 2.76 0.00 0.00 6.66 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 0.00 129 Y 7.14 4.43 0.00 3.32 3.24 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 0.00 130 R 7.42 4.03 0.00 1.78 2.02 0.00 2.95 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.11 0.00 131 N 7.66 4.28 0.00 2.72 2.98 0.00 0.00 6.88 9.19 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 0.00 132 L 7.27 4.51 0.00 1.76 1.77 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.32 4.48 0.00 2.92 3.37 0.00 0.00 6.77 8.00 0.00 0.00 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 N 8.18 4.90 0.00 2.92 2.89 0.00 0.00 7.21 8.48 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 0.00 135 L 8.43 4.42 0.00 1.87 1.85 1.10 0.89 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 0.00 136 K 8.47 4.33 0.00 1.54 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.98 7.81 137 Q 7.68 4.62 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 138 E 8.55 3.64 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 2.34 2.28 0.00 139 N 6.99 4.12 0.00 2.93 3.00 0.00 0.00 6.72 7.35 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 0.00 140 A 8.48 5.63 1.57 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 0.00 141 Y 8.42 5.12 0.00 2.98 2.98 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 0.00 142 L 9.47 4.91 0.00 1.38 1.03 0.79 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.88 4.95 0.00 0.54 0.13 0.79 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.00 5.89 1.57 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.18 0.89 0.00 0.00 145 R 8.62 5.17 0.00 1.87 2.10 0.00 2.90 0.00 0.00 2.60 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 146 R 9.50 4.13 0.00 1.92 1.94 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.