NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3962 0.0000 0.0000 62.3044 32.8097 176.1453 6 T 3.9240 8.6027 110.7716 61.3230 70.4339 174.0160 7 I 3.7464 8.3424 122.1079 64.3254 37.4634 179.2652 8 N 4.2697 8.1658 117.5410 56.7870 38.7233 176.7278 9 Q 3.9642 8.1738 119.3194 59.1499 28.8945 178.8530 10 L 4.0710 8.0126 119.7619 57.7275 41.3253 179.8450 11 V 3.6575 7.8503 118.0856 65.7937 31.5138 177.9317 12 R 4.1735 8.0538 117.3375 57.9922 30.1334 177.5060 13 K 4.3078 8.5364 115.9480 54.7095 34.5763 176.9616 14 G 3.9243 7.8071 109.3131 44.2689 0.0000 173.2061 15 R 4.1933 8.1848 117.5170 55.5402 30.8444 175.8899 16 E 4.5950 8.2841 119.8696 53.9698 31.4094 175.9183 17 K 4.1161 8.5234 125.9999 56.3410 32.8029 177.0118 18 V 3.8038 8.2078 116.5779 60.9748 31.9615 175.9608 19 R 4.3098 8.4775 125.0115 54.6053 30.5491 176.0651 20 K 4.2751 8.5513 123.6314 55.6007 33.4985 176.3591 21 K 4.3712 8.3409 123.4514 55.0747 34.0740 176.5685 22 S 4.2914 8.4407 116.1222 58.6576 62.9192 173.6261 23 K 4.5596 8.3733 121.1375 56.0303 33.4805 177.5973 24 V 4.3842 8.0686 118.0359 61.2253 32.0064 174.7496 25 P 4.5281 0.0000 0.0000 62.6671 29.5502 176.4616 26 A 4.1328 7.6228 115.2617 52.4556 19.7376 178.3191 27 L 2.8935 8.1252 121.0532 59.7547 42.4884 175.1222 28 K 4.3972 8.9498 117.4359 57.2667 30.6929 177.7964 29 G 3.8373 7.8941 115.0480 46.9393 0.0000 175.7360 30 A 3.5838 10.5247 120.2983 48.7870 18.8282 176.2245 31 P 3.9314 0.0000 0.0000 65.2177 31.6971 176.2991 32 F 5.2832 7.2712 112.5536 56.0885 43.5877 174.0754 33 R 4.7603 8.9039 119.6737 54.8532 33.9058 173.8074 34 R 5.0603 8.6706 124.9608 55.5739 32.5976 175.0117 35 G 4.3805 9.0362 111.0846 45.6003 0.0000 171.3568 36 V 4.9779 8.5277 118.9968 60.9176 34.6491 174.4677 37 C 4.3203 8.6982 125.7706 60.5805 27.9755 172.9473 38 T 4.0873 9.5110 123.5927 64.0227 67.7587 175.8370 39 V 4.1430 7.5378 120.2995 61.4105 34.6812 175.6963 40 V 4.5581 7.4335 120.8452 62.1333 30.1664 174.6512 41 R 4.4365 7.5791 123.3004 56.7022 33.0666 177.1953 42 T 5.0578 8.2755 115.7994 63.2810 72.8887 173.4708 43 V 4.6772 9.0244 124.0787 61.3731 35.9210 173.8874 44 T 5.0919 8.3585 114.7255 59.4311 69.9675 173.0459 45 P 4.5241 0.0000 0.0000 62.1028 32.5168 175.5860 46 K 4.0882 8.4784 117.9347 56.8388 33.2814 180.8795 47 K 3.7811 7.5649 116.3443 56.6121 35.5678 173.5124 48 P 4.3027 0.0000 0.0000 65.0101 32.0023 176.2626 49 N 4.9501 7.8375 113.7476 51.7847 40.8988 173.9915 50 S 4.4225 7.4838 111.9638 56.8358 65.1632 173.2501 51 A 4.2257 7.6480 129.3731 52.6180 20.9436 175.8162 52 L 4.6397 8.1735 119.3272 53.4015 42.0205 176.0679 53 R 4.3580 8.7432 123.0660 55.1063 32.0861 176.0162 54 K 4.3380 8.5213 123.1671 56.4440 32.8527 176.1190 55 V 4.4591 7.2098 126.3071 62.0395 34.6601 174.2136 56 A 4.4028 7.6341 117.0292 51.1273 23.1280 176.3448 57 K 4.5009 8.2702 122.7064 56.5858 33.4355 176.6124 58 V 4.8001 9.0554 124.7221 61.0521 35.2346 174.1896 59 R 4.8742 8.8377 128.4291 55.0129 31.0613 175.4211 60 L 4.9717 9.7842 127.9871 53.9951 42.9408 178.6974 61 T 3.9540 9.0395 111.9539 64.6207 68.8428 175.8635 62 S 4.1175 8.0891 115.8383 59.6054 62.3614 173.9849 63 G 3.9011 8.5019 107.8065 47.0256 0.0000 172.6108 64 Y 4.7996 7.8764 114.7118 55.6660 42.8107 174.3439 65 E 5.6130 8.6165 120.8350 53.8817 32.3109 174.9798 66 V 4.7597 8.1638 118.7085 60.1590 35.3214 173.6398 67 T 4.8198 8.5954 112.5422 61.4930 70.4346 173.3961 68 A 5.1727 8.9387 125.6600 50.0857 22.6235 174.8316 69 Y 4.0204 9.0941 124.3842 58.0702 40.2375 175.2826 70 I 4.7086 7.2490 128.0679 58.4520 37.1235 173.6911 71 P 4.7134 0.0000 0.0000 62.8893 32.1202 177.1313 72 G 3.8949 8.8431 103.9911 45.0188 0.0000 173.6382 73 E 4.0432 8.2777 117.7059 58.4744 29.6670 177.8072 74 G 4.2533 7.6274 106.0937 44.1790 0.0000 171.7319 75 H 5.2398 8.2317 118.6439 54.8878 31.3212 173.6539 76 N 4.6965 8.3982 109.2423 52.6415 37.3375 175.3252 77 L 4.5960 7.8315 117.6303 53.9599 43.4248 176.8663 78 Q 4.4112 8.3523 127.1979 55.3762 30.5826 176.2681 79 E 4.4368 8.5643 122.5105 57.3525 29.5803 177.7222 80 H 4.9883 7.6477 112.4276 56.2671 31.1510 173.4968 81 S 4.5106 8.2918 115.2410 58.5070 64.2605 173.5751 82 V 4.3776 10.8559 124.8333 62.4372 32.2483 174.9733 83 V 4.9211 8.9997 127.8805 60.9688 35.4754 173.6227 84 L 5.2946 8.5215 127.0545 53.3136 44.4957 175.1386 85 I 5.2382 9.0723 120.3718 59.3729 40.8472 174.4677 86 R 5.2334 9.1500 119.4092 54.1191 33.4056 174.6795 87 G 3.8497 8.5233 106.6842 46.3318 0.0000 172.0630 88 G 3.1961 8.4662 106.9145 44.1015 0.0000 174.1219 89 R 4.0981 7.9159 124.2961 54.8994 30.8954 176.4119 90 V 4.0906 7.9009 116.6628 60.5426 32.3676 175.3887 91 K 3.8118 8.7516 129.5646 59.5267 32.1657 177.4474 92 D 4.4917 8.0931 117.9378 56.0625 41.3208 175.3543 93 L 4.7195 7.4485 120.4314 51.6525 40.5671 173.1150 94 P 4.3432 0.0000 0.0000 64.2969 31.9425 176.5175 95 G 4.0227 9.1083 110.0825 44.8915 0.0000 173.3379 96 V 4.3468 8.0258 120.7487 61.8004 32.6219 176.2886 97 R 4.6585 8.5234 123.5190 55.7504 32.1807 174.4611 98 Y 5.0901 8.0479 116.0068 56.5813 42.8850 173.6657 99 H 5.5337 9.2637 117.0845 54.2664 32.6741 173.3114 100 I 4.5536 8.4641 121.9321 60.6740 38.6733 176.5041 101 V 3.9559 8.6203 126.8772 61.3997 32.0577 175.0980 102 R 4.0701 8.4577 127.3478 59.4940 29.2335 176.5133 103 G 3.6635 7.0633 119.0701 44.9441 0.0000 171.8988 104 V 4.1950 6.8061 120.7906 62.0196 34.9223 174.0096 105 Y 3.9533 8.1166 124.6397 59.9131 35.9253 170.7435 106 D 4.4043 9.4905 127.9740 57.5869 41.2046 175.9426 107 A 4.0360 7.9292 122.3633 51.8716 17.2661 176.6287 108 A 4.3655 8.2829 124.8189 52.7205 19.0622 177.3630 109 G 4.1288 8.1814 107.1935 45.2243 0.0000 173.1150 110 V 4.1775 8.2798 120.1783 62.1049 31.0372 175.3708 111 K 4.3687 8.5536 127.8313 55.6225 34.5343 175.7463 112 D 4.6338 8.5678 122.5362 55.2782 38.2455 173.7135 113 R 4.4125 7.2265 118.6737 55.5163 30.9011 176.2760 114 K 4.7166 8.3341 120.0811 55.5356 36.3340 177.1687 115 K 4.0290 8.5227 117.1684 57.5406 30.6529 179.3058 116 S 4.6137 9.1231 124.3195 59.0392 62.2155 175.2792 117 R 4.0817 8.0112 124.0292 59.5509 30.2566 179.1005 118 S 4.3491 8.1001 112.0274 61.3356 62.9251 175.8087 119 K 4.1420 7.5595 119.0442 57.3825 32.0921 176.8389 120 Y 4.7376 8.1169 117.1075 56.8773 39.6713 175.5631 121 G 4.4349 8.0237 106.0441 45.9684 0.0000 174.1550 122 T 4.6194 7.7929 115.3295 60.9206 69.7606 175.0433 123 K 3.9556 8.5236 126.1194 55.8329 32.6777 176.8249 124 K 3.6992 8.6597 122.2441 56.2680 32.0875 174.4807 125 P 4.1468 0.0000 0.0000 62.7351 31.9069 177.0494 126 K 4.0890 8.6705 124.5517 56.4747 31.3870 175.3549 127 E 3.4114 8.6158 114.5235 57.5303 30.3919 175.0888 128 A 4.3821 8.0134 119.8794 50.4695 17.9495 176.6706 *129 A 4.1172 7.7208 125.9446 51.6958 18.9464 177.0965 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 5 P 0.00 4.40 0.00 2.20 2.13 0.00 3.74 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 1.88 1.96 0.00 6 T 8.60 3.92 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 1.26 0.00 0.00 7 I 8.34 3.75 1.87 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 1.52 0.96 0.91 0.00 0.00 8 N 8.17 4.27 0.00 2.83 2.82 0.00 0.00 7.22 7.51 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 9 Q 8.17 3.96 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.01 4.07 0.00 1.84 1.72 0.92 0.65 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 11 V 7.85 3.66 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 0.83 0.00 0.00 0.96 0.00 0.00 12 R 8.05 4.17 0.00 1.94 1.97 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 13 K 8.54 4.31 0.00 1.65 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.33 7.81 14 G 7.81 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 0.00 0.00 0.00 15 R 8.18 4.19 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 16 E 8.28 4.59 0.00 1.88 1.80 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 2.17 2.28 0.00 17 K 8.52 4.12 0.00 1.78 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.46 7.81 18 V 8.21 3.80 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 0.70 0.00 0.00 0.92 0.00 0.00 19 R 8.48 4.31 0.00 1.77 1.88 0.00 3.24 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 20 K 8.55 4.28 0.00 1.83 1.81 0.00 1.44 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.47 7.81 21 K 8.34 4.37 0.00 1.88 1.84 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 22 S 8.44 4.29 0.00 3.84 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 23 K 8.37 4.56 0.00 1.64 1.65 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.33 7.81 24 V 8.07 4.38 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 0.89 0.00 0.00 0.76 0.00 0.00 25 P 0.00 4.53 0.00 1.95 1.95 0.00 3.82 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 2.08 2.09 0.00 26 A 7.62 4.13 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 27 L 8.13 2.89 0.00 1.70 1.56 1.03 0.69 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 28 K 8.95 4.40 0.00 1.92 2.14 0.00 1.93 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.45 7.81 29 G 7.89 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 10.52 3.58 1.38 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 0.00 0.00 0.00 31 P 0.00 3.93 0.00 1.44 1.95 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 32 F 7.27 5.28 0.00 3.00 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 33 R 8.90 4.76 0.00 1.92 1.69 0.00 3.16 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 34 R 8.67 5.06 0.00 2.11 1.81 0.00 2.81 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 35 G 9.04 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 0.00 0.00 0.00 0.00 36 V 8.53 4.98 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 1.13 0.00 0.00 0.92 0.00 0.00 37 C 8.70 4.32 0.00 3.04 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 38 T 9.51 4.09 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 39 V 7.54 4.14 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 0.93 0.00 0.00 40 V 7.43 4.56 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 0.91 0.00 0.00 0.95 0.00 0.00 41 R 7.58 4.44 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 42 T 8.28 5.06 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 1.21 0.00 0.00 43 V 9.02 4.68 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 1.03 0.00 0.00 0.96 0.00 0.00 44 T 8.36 5.09 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 1.23 0.00 0.00 45 P 0.00 4.52 0.00 2.21 2.14 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 46 K 8.48 4.09 0.00 1.91 1.97 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.37 7.81 47 K 7.56 3.78 0.00 1.80 2.04 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.53 7.81 48 P 0.00 4.30 0.00 2.07 2.12 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 49 N 7.84 4.95 0.00 2.70 2.75 0.00 0.00 6.76 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 50 S 7.48 4.42 0.00 3.79 3.69 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 0.00 0.00 0.00 0.00 51 A 7.65 4.23 1.29 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 0.00 0.00 52 L 8.17 4.64 0.00 1.53 1.63 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.74 4.36 0.00 1.90 2.08 0.00 3.21 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 54 K 8.52 4.34 0.00 1.46 1.52 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.51 7.81 55 V 7.21 4.46 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 0.79 0.00 0.00 1.04 0.00 0.00 56 A 7.63 4.40 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 57 K 8.27 4.50 0.00 1.83 1.76 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.54 7.81 58 V 9.06 4.80 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 1.10 0.00 0.00 1.01 0.00 0.00 59 R 8.84 4.87 0.00 1.93 1.81 0.00 3.14 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 60 L 9.78 4.97 0.00 1.66 1.66 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 61 T 9.04 3.95 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 1.24 0.00 0.00 62 S 8.09 4.12 0.00 3.83 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 63 G 8.50 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 0.00 0.00 0.00 64 Y 7.88 4.80 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 65 E 8.62 5.61 0.00 1.92 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 0.00 2.19 2.33 0.00 66 V 8.16 4.76 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 0.77 0.00 0.00 0.64 0.00 0.00 67 T 8.60 4.82 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 1.25 0.00 0.00 68 A 8.94 5.17 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 69 Y 9.09 4.02 0.00 3.05 2.62 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 70 I 7.25 4.71 1.53 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.67 0.70 0.00 0.00 71 P 0.00 4.71 0.00 2.60 2.48 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 72 G 8.84 3.89 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 0.00 0.00 0.00 73 E 8.28 4.04 0.00 1.91 1.97 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 2.18 2.17 0.00 74 G 7.63 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 75 H 8.23 5.24 0.00 3.24 3.29 0.00 5.57 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 76 N 8.40 4.70 0.00 2.80 2.82 0.00 0.00 5.74 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 77 L 7.83 4.60 0.00 1.69 1.67 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.35 4.41 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.14 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 79 E 8.56 4.44 0.00 1.87 1.82 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 1.97 2.55 0.00 80 H 7.65 4.99 0.00 3.04 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.29 4.51 0.00 3.80 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 82 V 10.86 4.38 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 0.64 0.00 0.00 0.95 0.00 0.00 83 V 9.00 4.92 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 1.02 0.00 0.00 0.98 0.00 0.00 84 L 8.52 5.29 0.00 1.40 1.21 1.06 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.07 5.24 2.05 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 1.50 0.59 0.95 0.00 0.00 86 R 9.15 5.23 0.00 1.97 2.54 0.00 2.89 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 87 G 8.52 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 0.00 0.00 0.00 88 G 8.47 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 0.00 0.00 0.00 89 R 7.92 4.10 0.00 2.01 1.86 0.00 2.93 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 90 V 7.90 4.09 2.02 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 0.71 0.00 0.00 0.62 0.00 0.00 91 K 8.75 3.81 0.00 1.71 1.82 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 D 8.09 4.49 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 93 L 7.45 4.72 0.00 1.71 1.66 1.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.34 0.00 2.05 2.02 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 95 G 9.11 4.02 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 0.00 96 V 8.03 4.35 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 1.16 0.00 0.00 1.03 0.00 0.00 97 R 8.52 4.66 0.00 1.03 1.43 0.00 3.21 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 98 Y 8.05 5.09 0.00 2.95 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 99 H 9.26 5.53 0.00 3.16 3.27 0.00 5.80 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 0.00 100 I 8.46 4.55 1.89 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 1.12 0.42 0.93 0.00 0.00 101 V 8.62 3.96 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 0.77 0.00 0.00 0.85 0.00 0.00 102 R 8.46 4.07 0.00 2.01 2.10 0.00 3.33 0.00 0.00 3.58 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 103 G 7.06 3.66 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 0.00 0.00 0.00 104 V 6.81 4.19 1.66 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 -0.23 0.00 0.00 0.63 0.00 0.00 105 Y 8.12 3.95 0.00 3.20 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 0.00 0.00 0.00 106 D 9.49 4.40 0.00 2.94 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 0.00 107 A 7.93 4.04 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 0.00 108 A 8.28 4.37 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 0.00 109 G 8.18 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 0.00 0.00 0.00 110 V 8.28 4.18 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 0.66 0.00 0.00 0.98 0.00 0.00 111 K 8.55 4.37 0.00 1.92 1.63 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 112 D 8.57 4.63 0.00 2.84 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 0.00 113 R 7.23 4.41 0.00 2.04 1.83 0.00 3.40 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 114 K 8.33 4.72 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.43 7.81 115 K 8.52 4.03 0.00 1.77 1.52 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.40 7.81 116 S 9.12 4.61 0.00 4.16 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 0.00 117 R 8.01 4.08 0.00 1.89 2.26 0.00 3.24 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 118 S 8.10 4.35 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 0.00 119 K 7.56 4.14 0.00 1.60 1.38 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.41 7.81 120 Y 8.12 4.74 0.00 3.02 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 0.00 121 G 8.02 4.43 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 0.00 122 T 7.79 4.62 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 1.32 0.00 0.00 123 K 8.52 3.96 0.00 1.75 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.45 7.81 124 K 8.66 3.70 0.00 1.69 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 125 P 0.00 4.15 0.00 2.08 2.04 0.00 3.76 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 2.05 2.12 0.00 126 K 8.67 4.09 0.00 1.69 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 127 E 8.62 3.41 0.00 2.19 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 2.19 2.34 0.00 128 A 8.01 4.38 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 *129 A 7.72 4.12 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 * Residues marked with a * may have inaccurate shift predictions.