NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1012 8.0093 121.4511 60.8961 37.3554 174.3846 2 P 4.7291 0.0000 0.0000 60.3489 33.9745 169.6531 3 V 4.4351 8.0448 110.9642 59.8310 34.8738 176.4939 4 T 4.6019 8.3274 113.6982 59.9679 70.5677 173.1865 5 H 4.5151 9.0031 124.3769 54.9002 29.6504 174.6591 6 I 4.5241 8.0434 117.1186 58.5662 39.8833 174.9250 7 K 4.2194 8.5152 124.3412 56.3321 32.7593 176.5422 8 C 5.1414 8.4748 122.4988 54.9771 39.7761 173.0223 9 L 4.4465 8.6962 124.2343 54.0929 43.1051 175.1669 10 R 4.8266 8.5807 127.3972 54.9165 31.2726 175.6447 11 I 4.2482 8.3520 127.2702 59.6222 38.8931 173.0508 12 N 3.9755 9.2222 126.4139 54.4394 36.3955 174.1534 13 G 4.1039 8.4132 104.2439 45.6374 0.0000 171.0169 14 Q 4.4693 7.5388 116.9210 54.3256 32.3030 173.1962 15 I 4.6759 8.2839 125.7435 59.3906 39.0996 174.9952 16 K 4.4261 9.2781 126.1949 55.1171 33.2319 175.1878 17 C 4.5004 8.7079 123.9753 57.8829 41.9012 175.0384 18 V 3.8803 7.6818 119.4698 61.9153 31.5776 175.4459 19 K 4.2846 8.4342 127.4053 54.4338 32.0997 173.3716 20 P 4.5183 0.0000 0.0000 61.4192 31.3286 176.5746 21 I 3.8188 8.2313 117.3298 61.2587 38.1739 176.2031 22 S 4.5110 8.1795 115.5712 55.9311 62.2695 170.3513 23 P 4.6593 0.0000 0.0000 60.8383 31.6718 176.6503 24 N 4.6113 8.7877 121.2080 54.3926 38.8146 175.1676 25 T 4.5004 7.4400 108.3919 59.9882 69.9606 174.2641 26 T 4.6860 8.0706 116.8213 58.8622 72.6739 173.0192 27 P 4.1927 0.0000 0.0000 65.8904 31.5118 178.7743 28 A 3.9782 8.0235 118.5967 55.0715 18.3669 179.3367 29 A 3.9232 7.5740 118.4036 55.3864 18.6506 179.1493 30 E 3.8761 8.9128 118.5099 59.9158 29.4819 178.6351 31 H 4.0840 8.6119 118.1698 59.4550 29.9827 177.1882 32 I 3.7012 7.6875 121.0901 64.3315 36.7189 177.8307 33 E 3.9033 7.9075 118.9986 59.9256 29.8383 178.4859 34 H 4.2743 8.0800 115.5273 58.6472 28.3636 177.9133 35 V 3.5935 8.0122 120.3742 66.0818 31.2133 177.7627 36 R 4.2389 8.0864 114.8682 57.2280 30.1039 178.0662 37 K 4.1418 7.6182 119.3899 57.4924 32.5566 176.0636 38 N 4.5903 7.4645 118.2549 52.0721 39.5570 173.9668 39 P 4.2721 0.0000 0.0000 65.8204 31.3175 178.8682 40 R 3.9438 8.6338 118.6153 59.0522 29.7737 179.1028 41 R 3.8951 7.9713 116.5369 58.9478 30.2596 178.2939 42 K 3.9592 7.9403 118.1282 59.4999 32.4038 178.1483 43 A 4.1324 7.8914 120.4503 55.1981 18.2098 179.4640 44 A 3.7915 7.4441 116.7042 53.7841 18.9031 178.7827 *46 D 4.4869 7.9731 120.7017 55.5764 43.1619 178.3369 47 R 3.9136 8.3616 118.1410 59.0269 29.9051 179.0659 48 A 3.9539 7.8958 120.2207 55.0702 18.3699 179.4038 49 A 3.9250 8.0331 118.6157 55.2681 18.4295 179.5685 50 A 3.9128 8.1264 119.1233 55.3998 17.9740 179.9861 51 R 3.8659 7.8415 116.2978 59.6383 30.1599 179.4585 52 I 3.7535 7.9768 119.2829 64.2322 37.0074 178.2974 53 A 4.0369 8.3758 122.1088 55.0946 18.1248 179.4878 54 D 4.2671 8.0969 117.4783 57.6496 41.0401 179.0701 55 K 3.9849 7.7091 117.9695 59.4375 32.0887 179.5729 56 I 3.6668 7.7785 119.8692 64.2800 36.8345 178.2808 57 A 4.5062 8.0913 123.0607 54.5856 18.0012 179.4630 58 L 3.9041 7.7331 117.5878 58.2611 42.3032 178.7906 59 K 4.0404 7.9009 117.9160 58.6392 32.2163 177.5452 60 A 4.5692 7.4188 117.8125 51.2315 19.7345 176.4586 61 G 4.1017 7.8879 106.0688 44.7796 0.0000 174.3532 62 G 3.8511 7.4729 104.7021 45.5921 0.0000 170.4916 63 E 4.1104 8.2278 120.7359 56.7714 30.0083 177.5480 64 T 4.9709 8.1754 116.7592 60.1737 72.3629 175.3539 65 F 4.1053 8.5323 122.0835 61.2757 39.1348 177.0507 66 V 3.4485 7.7724 116.4416 66.0051 31.5505 177.1059 67 S 4.1782 7.6922 111.4780 61.6435 62.2793 175.5981 68 L 4.0795 7.8992 122.3920 58.1242 41.8690 179.5678 69 R 3.7581 7.2637 115.4090 57.3591 29.8897 177.8738 *71 K 4.2596 7.9968 117.7546 55.7738 33.8926 176.8072 72 K 4.2578 7.9055 115.9888 56.0765 32.2404 176.7895 73 G 3.6906 8.0665 106.5388 46.7056 0.0000 173.4963 74 F 4.8101 7.8758 118.5212 55.1305 40.5614 176.9749 75 T 4.1253 8.8551 117.2267 61.4223 70.6070 174.8403 76 Q 3.9809 8.8285 123.1503 59.8317 28.8842 179.2485 77 S 4.1874 8.0712 113.2706 61.4114 62.4564 175.8763 78 E 4.0301 8.1336 121.0785 59.4308 29.3168 179.0350 79 L 3.6786 8.5029 120.4545 58.0602 42.0473 178.7221 80 A 4.0662 8.2332 120.6996 55.5648 18.1326 179.8577 81 T 3.8242 8.0489 113.8650 66.8217 68.3887 176.9003 82 A 4.0577 8.2996 121.4644 54.4762 18.4408 178.5051 83 A 4.5263 7.8838 116.3216 50.8820 19.5545 176.9346 84 G 3.8921 7.8386 105.6342 47.0787 0.0000 174.0239 85 L 4.8803 7.8906 117.7228 51.6588 45.0398 175.4473 86 P 4.6158 0.0000 0.0000 62.0452 33.5057 177.5790 87 Q 4.0248 8.6517 122.3433 58.7215 29.1429 176.6031 88 P 4.2656 0.0000 0.0000 65.9803 31.4301 177.8361 89 Y 4.1798 8.0598 117.6117 60.4998 38.7663 177.6098 90 L 3.8394 8.2036 121.3859 58.1792 42.1218 178.6670 91 S 4.1196 8.5835 113.4356 61.7675 62.2431 176.5256 92 R 3.8906 7.9325 120.4791 59.1629 29.5227 179.0535 93 I 3.6410 7.2367 118.9175 64.3336 37.0841 177.9931 94 E 4.2579 8.0572 118.3068 58.1097 29.3960 177.1111 95 N 4.7579 7.5901 113.7512 54.4798 41.0761 175.3795 96 S 4.4869 7.7823 111.0304 59.8824 64.3377 175.3246 97 K 4.1352 8.1287 118.5778 56.8799 32.2931 176.9346 98 Q 4.6223 8.9548 120.0005 56.7635 29.6084 175.7278 99 S 4.8017 7.8671 109.6310 56.8527 66.1969 172.6581 100 L 4.5693 7.5599 119.7904 52.3633 44.2915 177.5989 101 Q 4.1530 8.3456 121.5133 55.5754 30.8887 177.0373 102 D 4.2956 8.6154 122.0554 57.6016 41.3085 178.6341 103 K 3.8972 8.0792 119.4446 59.8388 32.0606 178.7731 104 T 3.8643 7.7590 115.3927 66.6729 68.5083 176.4703 105 V 3.5720 7.4996 119.7194 66.4073 31.2688 178.1878 106 Q 3.9520 7.9798 116.8776 58.8972 28.7105 178.3783 107 K 3.8614 8.0252 119.4886 59.7584 32.1398 179.3574 108 L 3.9929 8.4525 119.1257 57.6590 41.6109 179.3112 109 A 4.0309 8.3592 121.1394 55.2487 18.1559 179.5074 110 N 4.2834 8.4954 114.9835 56.3220 38.4064 177.4592 111 A 3.9501 7.6708 120.9853 54.9655 18.6003 179.0355 112 L 4.2047 7.8556 114.6567 53.9395 42.7951 176.7946 113 G 3.9670 7.7014 107.0861 46.8155 0.0000 172.9399 114 V 4.5704 7.7472 109.7645 58.1286 36.3397 176.8498 115 S 4.3815 8.2721 115.7045 57.6308 64.9298 173.2129 116 P 4.2177 0.0000 0.0000 65.8790 31.0238 178.4353 117 L 3.9446 7.9929 118.3456 58.3198 41.8377 178.5922 118 E 4.0033 8.2441 118.1668 59.4991 29.4820 179.2171 119 V 3.7214 7.6825 117.8474 66.4285 31.5082 178.2710 120 R 3.9703 8.5960 117.4600 59.3437 29.7405 178.8943 121 A 4.0561 8.5303 119.4980 55.0461 18.6082 179.3970 122 A 4.7796 8.3512 120.7041 54.9257 18.6766 179.3186 123 F 4.0427 8.4971 119.2121 61.7624 39.3651 176.9368 124 E 4.6065 8.7152 116.4520 58.0434 29.0545 178.2380 125 R 4.3331 7.8501 118.5485 57.3546 30.4201 176.6341 126 R 3.9107 7.4398 113.0087 57.7324 29.7894 175.4373 127 Y 4.5836 7.5054 116.9014 56.2673 40.5633 174.1830 128 E 4.7115 8.3718 120.8864 54.8109 30.5231 175.0847 129 Y 4.2449 8.6506 122.7413 58.1463 38.1071 175.8992 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 1 I 8.01 4.10 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 1.47 1.07 0.91 0.00 0.00 2 P 0.00 4.73 0.00 2.25 2.08 0.00 3.71 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 1.91 2.05 0.00 3 V 8.04 4.44 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 0.79 0.00 0.00 0.97 0.00 0.00 4 T 8.33 4.60 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 5 H 9.00 4.52 0.00 3.11 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.04 4.52 1.88 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 1.30 0.66 0.92 0.00 0.00 7 K 8.52 4.22 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 8 C 8.47 5.14 0.00 2.84 2.92 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 9 L 8.70 4.45 0.00 1.76 1.61 0.91 0.89 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 10 R 8.58 4.83 0.00 1.84 1.81 0.00 3.23 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 11 I 8.35 4.25 1.86 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 1.16 1.05 0.89 0.00 0.00 12 N 9.22 3.98 0.00 2.89 2.74 0.00 0.00 6.99 8.28 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 13 G 8.41 4.10 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 0.00 0.00 0.00 14 Q 7.54 4.47 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 15 I 8.28 4.68 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 1.29 0.73 0.91 0.00 0.00 16 K 9.28 4.43 0.00 1.67 1.64 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.34 7.81 17 C 8.71 4.50 0.00 2.98 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 18 V 7.68 3.88 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 0.82 0.00 0.00 0.94 0.00 0.00 19 K 8.43 4.28 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.39 7.81 20 P 0.00 4.52 0.00 2.21 2.14 0.00 3.78 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 1.97 1.95 0.00 21 I 8.23 3.82 1.88 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 1.30 0.47 0.91 0.00 0.00 22 S 8.18 4.51 0.00 3.80 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 23 P 0.00 4.66 0.00 2.22 1.98 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 24 N 8.79 4.61 0.00 2.72 2.88 0.00 0.00 7.01 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 25 T 7.44 4.50 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 26 T 8.07 4.69 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 27 P 0.00 4.19 0.00 2.19 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 28 A 8.02 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 29 A 7.57 3.92 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 30 E 8.91 3.88 0.00 2.24 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 0.00 2.37 2.47 0.00 31 H 8.61 4.08 0.00 3.43 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.69 3.70 1.90 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 1.45 0.67 0.93 0.00 0.00 33 E 7.91 3.90 0.00 2.09 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 0.00 2.25 2.33 0.00 34 H 8.08 4.27 0.00 3.39 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.01 3.59 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 1.03 0.00 0.00 0.91 0.00 0.00 36 R 8.09 4.24 0.00 1.83 1.92 0.00 3.21 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 37 K 7.62 4.14 0.00 2.03 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.41 7.81 38 N 7.46 4.59 0.00 2.80 2.81 0.00 0.00 6.79 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 39 P 0.00 4.27 0.00 2.28 2.27 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 40 R 8.63 3.94 0.00 1.91 2.00 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 41 R 7.97 3.90 0.00 2.01 1.98 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 K 7.94 3.96 0.00 1.98 1.94 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.42 7.81 43 A 7.89 4.13 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 44 A 7.44 3.79 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 *46 D 7.97 4.49 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 3.91 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 48 A 7.90 3.95 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 49 A 8.03 3.93 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 50 A 8.13 3.91 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 51 R 7.84 3.87 0.00 2.16 1.99 0.00 3.13 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 1.65 1.67 0.00 52 I 7.98 3.75 2.00 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 1.45 0.82 0.91 0.00 0.00 53 A 8.38 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.27 0.00 2.93 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 55 K 7.71 3.98 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 56 I 7.78 3.67 2.02 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 1.45 1.24 0.90 0.00 0.00 57 A 8.09 4.51 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 58 L 7.73 3.90 0.00 1.84 1.71 0.92 0.44 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 59 K 7.90 4.04 0.00 1.94 1.99 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 60 A 7.42 4.57 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 61 G 7.89 4.10 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 0.00 0.00 0.00 62 G 7.47 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 63 E 8.23 4.11 0.00 2.07 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 2.38 2.36 0.00 64 T 8.18 4.97 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 1.25 0.00 0.00 65 F 8.53 4.11 0.00 3.27 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 66 V 7.77 3.45 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 0.90 0.00 0.00 1.00 0.00 0.00 67 S 7.69 4.18 0.00 3.90 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 68 L 7.90 4.08 0.00 1.74 1.70 0.95 0.72 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 69 R 7.26 3.76 0.00 1.53 1.87 0.00 3.21 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 *71 K 8.00 4.26 0.00 1.80 1.90 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 72 K 7.91 4.26 0.00 1.95 2.10 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.57 7.81 73 G 8.07 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 0.00 0.00 0.00 74 F 7.88 4.81 0.00 3.14 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 75 T 8.86 4.13 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 76 Q 8.83 3.98 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 77 S 8.07 4.19 0.00 4.08 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 78 E 8.13 4.03 0.00 2.51 2.25 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 2.36 2.36 0.00 79 L 8.50 3.68 0.00 1.60 1.68 0.48 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.23 4.07 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.05 3.82 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 1.25 0.00 0.00 82 A 8.30 4.06 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 83 A 7.88 4.53 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 84 G 7.84 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 85 L 7.89 4.88 0.00 1.68 1.69 1.03 1.11 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 86 P 0.00 4.62 0.00 2.23 1.98 0.00 3.71 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 2.06 2.12 0.00 87 Q 8.65 4.02 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 88 P 0.00 4.27 0.00 2.26 2.14 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 89 Y 8.06 4.18 0.00 3.02 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 90 L 8.20 3.84 0.00 1.87 1.85 1.06 0.88 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 91 S 8.58 4.12 0.00 4.08 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 92 R 7.93 3.89 0.00 1.95 1.85 0.00 3.23 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 93 I 7.24 3.64 1.71 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.11 0.23 0.00 0.00 94 E 8.06 4.26 0.00 2.00 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 2.84 2.76 0.00 95 N 7.59 4.76 0.00 2.69 2.75 0.00 0.00 6.91 7.52 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 96 S 7.78 4.49 0.00 3.80 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 97 K 8.13 4.14 0.00 1.81 1.91 0.00 1.26 0.00 0.00 1.46 0.00 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.48 1.41 7.81 98 Q 8.95 4.62 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 99 S 7.87 4.80 0.00 3.90 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 0.00 100 L 7.56 4.57 0.00 1.17 1.31 0.25 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.35 4.15 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 102 D 8.62 4.30 0.00 2.72 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 0.00 103 K 8.08 3.90 0.00 1.85 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.53 7.81 104 T 7.76 3.86 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 1.26 0.00 0.00 105 V 7.50 3.57 2.20 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 1.10 0.00 0.00 0.89 0.00 0.00 106 Q 7.98 3.95 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 107 K 8.03 3.86 0.00 2.00 2.02 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 108 L 8.45 3.99 0.00 1.92 1.83 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.36 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.50 4.28 0.00 2.89 2.88 0.00 0.00 6.90 7.83 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 0.00 111 A 7.67 3.95 1.17 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 0.00 0.00 112 L 7.86 4.20 0.00 1.58 1.68 0.77 0.33 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 0.00 113 G 7.70 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 0.00 0.00 0.00 114 V 7.75 4.57 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 0.83 0.00 0.00 0.94 0.00 0.00 115 S 8.27 4.38 0.00 4.05 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 0.00 116 P 0.00 4.22 0.00 2.18 2.16 0.00 3.62 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 2.12 2.16 0.00 117 L 7.99 3.94 0.00 1.76 1.69 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.24 4.00 0.00 2.24 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 2.35 2.34 0.00 119 V 7.68 3.72 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 1.16 0.00 0.00 1.03 0.00 0.00 120 R 8.60 3.97 0.00 1.95 2.01 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 1.61 1.76 0.00 121 A 8.53 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.78 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 0.00 123 F 8.50 4.04 0.00 3.31 3.30 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 0.00 124 E 8.72 4.61 0.00 2.24 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 2.84 2.65 0.00 125 R 7.85 4.33 0.00 2.09 1.95 0.00 3.38 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 126 R 7.44 3.91 0.00 1.54 1.59 0.00 2.21 0.00 0.00 2.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 127 Y 7.51 4.58 0.00 2.79 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 0.00 128 E 8.37 4.71 0.00 1.86 1.83 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 2.18 2.37 0.00 129 Y 8.65 4.24 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.