NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5639 8.3049 120.3506 55.2687 34.6171 175.1987 2 I 3.7070 7.2797 121.3484 59.4529 38.2452 174.8430 3 Q 4.1066 9.7710 124.9346 59.0250 29.2376 176.9101 4 E 4.5332 7.9288 115.8301 55.5187 32.0902 177.8291 5 Q 3.0602 8.8514 119.5105 55.8463 27.6088 173.3242 6 T 3.3737 8.5084 126.6730 64.0198 68.0239 170.2998 7 M 4.9675 8.4094 121.6294 53.8219 34.7836 174.9666 8 L 4.8507 8.7505 123.3484 53.1367 45.7355 175.3369 9 N 5.0175 8.4397 117.3812 51.8239 41.5987 174.7152 10 V 4.2505 8.2597 114.1868 60.8127 32.4929 175.9410 11 A 4.2061 8.9666 127.4175 51.5880 19.7293 175.8005 12 D 5.1407 7.4980 115.7022 51.5452 42.7206 176.5284 13 N 4.5095 8.9669 117.8955 55.7673 37.5211 175.8902 14 S 4.4031 7.4192 114.0969 58.3720 63.9542 174.4058 15 G 3.9848 9.4007 111.2041 45.5284 0.0000 172.2109 16 A 4.5336 8.3322 119.8513 51.2996 22.5398 178.0582 17 R 3.4136 8.5496 117.7585 57.0641 29.5639 176.4312 18 R 4.2650 8.2763 117.1578 57.1064 30.9490 176.5535 19 V 4.6981 8.2686 121.5055 61.7184 35.1148 173.3641 20 M 5.2162 8.5409 127.5292 53.7019 33.4818 175.6108 21 C 4.7479 8.3207 124.3472 59.5410 32.2572 173.1107 22 I 4.6317 7.8322 114.8992 59.8733 39.0562 175.0984 23 K 4.1012 7.5573 120.1585 55.8575 35.4783 173.5326 24 V 4.1994 8.0996 128.3167 61.8930 32.2660 175.2763 25 L 4.4249 7.7161 130.3932 54.8800 42.0830 176.8432 26 G 4.0074 9.4806 108.6209 44.3352 0.0000 176.0004 27 G 3.6071 8.2498 108.4727 47.0940 0.0000 174.7442 28 S 3.7805 9.1779 118.7540 59.4349 60.4911 170.6862 29 H 3.9397 8.2230 114.1967 56.1255 25.7581 173.8019 30 R 3.8543 7.7990 123.0333 56.9244 30.9340 175.6306 31 R 4.4115 8.1512 124.2784 55.6653 32.4844 176.9191 32 Y 3.2601 9.3663 120.5434 59.2963 38.5160 170.2210 33 A 3.6827 9.2242 121.8332 51.0266 17.3695 177.0752 34 G 3.9684 9.9256 104.6576 46.8750 0.0000 174.1926 35 V 4.5608 7.4216 112.8538 60.0980 36.1333 175.8526 36 G 5.0250 7.1033 123.8932 46.6178 0.0000 171.6643 37 D 5.1179 7.3545 118.7481 52.1209 44.4732 175.3966 38 I 4.6533 8.2026 121.1565 60.6184 39.1518 175.0488 39 I 4.7982 8.3670 118.9036 58.7772 41.0331 174.2959 40 K 4.2852 8.4211 127.1776 56.8343 33.1244 175.4180 41 I 4.5499 8.6248 126.8222 59.4913 42.3679 174.3294 42 T 4.9245 8.9228 121.1437 60.1661 71.9941 173.7032 43 I 3.9044 8.4842 121.0685 61.5598 37.9097 176.4607 44 K 4.2559 8.8265 126.6502 57.3219 33.4146 175.9311 45 E 4.9710 8.1815 116.7146 54.4209 32.8684 175.4029 46 A 4.7205 8.2944 123.0992 49.8351 22.6140 175.8612 47 I 3.7789 8.2555 120.0354 60.7586 38.2917 174.4492 48 P 4.4059 0.0000 0.0000 64.0183 31.8926 175.9328 49 R 4.3866 8.1500 119.0471 55.6521 31.9401 175.6329 50 G 4.1148 9.9091 110.7733 45.6577 0.0000 172.4560 51 K 4.6664 7.9808 117.6336 55.0868 35.9275 177.0470 52 V 4.3871 8.0075 113.3348 60.0947 34.0089 172.8596 53 K 3.6777 8.0854 123.7523 55.7800 31.5502 175.0251 54 K 4.2840 8.3901 119.9572 57.0996 33.8922 177.3311 55 G 3.9723 8.3811 108.7739 45.3783 0.0000 173.9836 56 D 4.4812 7.8024 119.3084 54.9100 41.4446 175.2858 57 V 4.3997 8.1016 114.5661 60.3264 33.0173 175.3658 58 L 4.7949 8.4770 126.7653 53.8685 45.9708 175.3496 59 K 5.2353 8.4369 119.1159 56.3878 37.4594 175.1806 60 A 5.0499 9.1551 123.0797 51.1984 23.5849 175.1999 61 V 4.9187 8.2945 111.8894 58.7619 34.4623 175.6570 62 V 4.0752 8.3095 125.6044 62.3757 31.9035 175.7633 63 V 4.1113 8.1463 119.7664 61.1756 33.3026 176.8916 64 R 2.9425 7.3359 120.5675 54.9383 32.4360 172.3988 65 T 4.5840 7.3468 119.9262 61.4908 69.8186 175.6720 66 K 4.4016 8.7889 127.8722 58.3972 32.8735 178.1566 67 K 3.9795 8.1213 119.4408 60.3190 32.3123 175.9644 68 G 4.4692 7.0832 101.6620 43.2846 0.0000 171.8132 69 V 4.5671 7.9317 119.4005 60.7717 35.0854 174.0958 70 R 4.9497 7.9684 117.5375 56.3878 31.6237 174.3557 71 R 4.3363 7.2071 117.8487 55.6218 33.1559 175.7050 72 P 4.1957 0.0000 0.0000 65.2886 31.2984 176.9450 73 D 4.5653 8.1075 115.6182 52.9814 39.7928 176.2498 74 G 3.7919 8.0067 107.5353 46.5140 0.0000 173.3247 75 S 4.5504 7.9769 114.5718 56.4261 64.3262 173.4665 76 V 4.2374 8.2153 124.5394 61.4138 32.2662 174.7197 77 I 4.1387 8.3180 128.1090 59.7577 38.8188 174.5572 78 R 4.7812 8.1739 128.4388 54.5827 30.9625 175.8765 79 F 4.6654 8.7761 124.6363 57.1408 40.7265 176.0329 80 D 4.9569 9.0089 117.1151 54.0436 42.1655 176.1318 81 G 4.3506 7.8925 108.5079 44.4324 0.0000 173.6136 82 N 5.6079 8.4512 114.9745 52.6495 40.7543 174.7038 83 A 4.8848 8.1204 120.0216 51.8807 21.0166 176.8532 84 C 5.2272 8.4138 115.4427 57.8064 33.9395 172.9258 85 V 4.8365 7.8831 118.2280 60.1428 34.1564 174.7629 86 L 4.7436 8.7858 127.3338 54.8175 43.1221 175.8273 87 L 5.0124 8.7403 120.9889 52.6271 46.2973 175.3095 88 N 4.3386 8.5437 121.6126 54.6500 38.8156 174.1682 89 N 4.8090 8.9562 120.8338 53.0629 39.0585 175.0082 90 N 4.9767 8.2599 114.4710 53.3315 40.2812 174.4726 91 S 4.4218 6.9613 118.8138 57.4974 67.8497 175.7273 92 E 4.7515 8.5202 126.5023 57.5942 32.9841 175.7979 93 Q 4.1222 7.7898 120.4302 54.9830 29.4326 173.7479 94 P 4.6325 0.0000 0.0000 63.6376 31.8472 176.4108 95 I 4.0251 7.9711 123.2746 63.4562 37.6793 177.3470 96 G 3.7737 7.9244 108.0406 45.9731 0.0000 173.1296 97 T 4.4479 8.5393 118.2025 63.2207 70.4875 174.8017 98 R 4.8381 7.9647 120.8391 54.4339 33.8017 173.9481 99 I 5.1026 8.4293 124.7127 59.4813 40.8401 174.7164 100 F 4.8528 8.2946 120.6848 55.1720 40.8506 172.7629 101 G 3.7910 9.0767 106.9473 42.6574 0.0000 171.7953 102 P 4.7085 0.0000 0.0000 62.2770 32.0738 175.4628 103 V 4.4795 7.9718 111.8597 60.3281 35.9496 174.3328 104 T 4.7056 7.9479 110.2909 59.8539 70.7719 175.8529 105 R 4.0824 8.3961 119.4724 58.4124 29.8399 177.7867 106 E 4.2626 8.1412 116.9749 57.7533 29.5263 176.9418 107 L 4.3437 7.2939 117.9953 54.8139 43.1862 177.9866 108 R 4.0593 7.8348 118.8161 59.2896 30.1808 177.3276 109 S 4.1923 7.9315 112.3266 59.4288 63.3598 173.8340 110 E 3.5939 8.7375 125.8840 55.0523 28.6019 174.2398 111 K 3.9646 8.2198 119.8522 57.6848 31.6827 175.6091 112 F 4.7655 8.9843 125.5951 59.0902 43.8048 177.9706 113 M 3.5420 7.3485 121.1326 58.1523 32.4102 178.9160 114 K 3.9500 8.1476 116.2918 59.8393 32.9299 178.2693 115 I 3.9281 8.5221 120.0871 64.1551 37.1835 177.4787 116 I 4.2923 7.3640 111.4775 61.0466 37.4859 176.4186 117 S 4.6095 8.0859 118.2001 59.5630 64.7318 174.9212 118 L 4.5941 7.5194 116.1901 54.1047 41.6434 175.7844 119 A 4.7527 7.6628 120.4391 50.0457 22.4761 174.4308 120 P 5.0047 0.0000 0.0000 61.5308 34.1288 175.7928 *121 E 4.1546 8.6842 113.6285 56.7581 30.3399 171.2802 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 M 8.30 4.56 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 2 I 7.28 3.71 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.31 1.00 0.00 0.00 3 Q 9.77 4.11 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 4 E 7.93 4.53 0.00 1.98 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 2.26 2.26 0.00 5 Q 8.85 3.06 0.00 2.23 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.16 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 6 T 8.51 3.37 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 7 M 8.41 4.97 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 8 L 8.75 4.85 0.00 1.69 1.60 0.92 0.59 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 9 N 8.44 5.02 0.00 2.64 2.72 0.00 0.00 7.40 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 10 V 8.26 4.25 2.29 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 0.65 0.00 0.00 1.06 0.00 0.00 11 A 8.97 4.21 1.01 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 0.00 0.00 12 D 7.50 5.14 0.00 2.74 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 13 N 8.97 4.51 0.00 2.92 3.13 0.00 0.00 6.93 7.80 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 14 S 7.42 4.40 0.00 3.84 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 15 G 9.40 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 16 A 8.33 4.53 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 17 R 8.55 3.41 0.00 1.91 1.82 0.00 3.23 0.00 0.00 3.28 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 18 R 8.28 4.27 0.00 1.89 2.07 0.00 3.09 0.00 0.00 3.23 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 19 V 8.27 4.70 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 0.98 0.00 0.00 1.00 0.00 0.00 20 M 8.54 5.22 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 21 C 8.32 4.75 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 4.63 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 1.20 0.84 0.91 0.00 0.00 23 K 7.56 4.10 0.00 1.84 1.63 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.37 7.81 24 V 8.10 4.20 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 0.90 0.00 0.00 0.95 0.00 0.00 25 L 7.72 4.42 0.00 1.80 1.58 0.92 0.97 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 26 G 9.48 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 0.00 0.00 0.00 27 G 8.25 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.18 3.78 0.00 3.94 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 29 H 8.22 3.94 0.00 3.36 3.40 0.00 5.73 0.00 0.00 0.00 0.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.80 3.85 0.00 1.99 1.94 0.00 3.17 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 31 R 8.15 4.41 0.00 1.16 1.68 0.00 3.44 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 32 Y 9.37 3.26 0.00 3.22 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 33 A 9.22 3.68 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 34 G 9.93 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 35 V 7.42 4.56 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 0.93 0.00 0.00 0.97 0.00 0.00 36 G 7.10 5.03 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 0.00 0.00 0.00 37 D 7.35 5.12 0.00 2.64 2.56 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 0.00 0.00 0.00 0.00 38 I 8.20 4.65 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.08 0.94 0.00 0.00 39 I 8.37 4.80 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 1.21 1.24 0.90 0.00 0.00 40 K 8.42 4.29 0.00 2.04 1.73 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.51 7.81 41 I 8.62 4.55 1.86 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 1.21 1.39 0.91 0.00 0.00 42 T 8.92 4.92 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 1.30 0.00 0.00 43 I 8.48 3.90 2.03 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 1.37 0.78 0.91 0.00 0.00 44 K 8.83 4.26 0.00 1.78 2.02 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.45 7.81 45 E 8.18 4.97 0.00 2.13 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 2.23 2.37 0.00 46 A 8.29 4.72 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 47 I 8.26 3.78 2.03 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 1.62 0.87 0.92 0.00 0.00 48 P 0.00 4.41 0.00 2.22 2.16 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 1.98 1.95 0.00 49 R 8.15 4.39 0.00 1.72 1.82 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 50 G 9.91 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.98 4.67 0.00 1.69 1.67 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.39 7.81 52 V 8.01 4.39 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 0.74 0.00 0.00 0.94 0.00 0.00 53 K 8.09 3.68 0.00 2.06 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.35 7.81 54 K 8.39 4.28 0.00 1.86 1.80 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 55 G 8.38 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 56 D 7.80 4.48 0.00 2.75 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 57 V 8.10 4.40 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 0.93 0.00 0.00 58 L 8.48 4.79 0.00 1.56 1.69 0.92 0.72 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 59 K 8.44 5.24 0.00 1.77 1.64 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.39 7.81 60 A 9.16 5.05 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 61 V 8.29 4.92 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 1.15 0.00 0.00 0.88 0.00 0.00 62 V 8.31 4.08 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 0.70 0.00 0.00 0.88 0.00 0.00 63 V 8.15 4.11 1.87 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 0.57 0.00 0.00 0.81 0.00 0.00 64 R 7.34 2.94 0.00 1.46 1.56 0.00 3.09 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 65 T 7.35 4.58 4.27 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 1.25 0.00 0.00 66 K 8.79 4.40 0.00 1.87 1.86 0.00 1.79 0.00 0.00 2.31 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 67 K 8.12 3.98 0.00 1.74 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.49 7.81 68 G 7.08 4.47 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 0.00 69 V 7.93 4.57 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 1.04 0.00 0.00 1.01 0.00 0.00 70 R 7.97 4.95 0.00 2.05 1.88 0.00 3.14 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 71 R 7.21 4.34 0.00 1.96 1.79 0.00 2.98 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 72 P 0.00 4.20 0.00 2.20 2.23 0.00 3.75 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 1.99 1.96 0.00 73 D 8.11 4.57 0.00 2.80 2.81 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 74 G 8.01 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.98 4.55 0.00 3.96 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 76 V 8.22 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 0.90 0.00 0.00 0.98 0.00 0.00 77 I 8.32 4.14 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.86 0.22 0.00 0.00 78 R 8.17 4.78 0.00 1.77 1.76 0.00 3.22 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.90 0.00 79 F 8.78 4.67 0.00 3.14 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 80 D 9.01 4.96 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.89 4.35 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 0.00 82 N 8.45 5.61 0.00 2.62 2.72 0.00 0.00 7.48 7.49 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 83 A 8.12 4.88 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.41 5.23 0.00 2.80 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 V 7.88 4.84 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 1.20 0.00 0.00 0.80 0.00 0.00 86 L 8.79 4.74 0.00 1.64 1.56 0.97 0.56 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 87 L 8.74 5.01 0.00 1.55 1.50 1.02 0.43 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 88 N 8.54 4.34 0.00 2.84 2.76 0.00 0.00 7.05 7.93 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 89 N 8.96 4.81 0.00 2.83 2.90 0.00 0.00 6.03 8.04 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 90 N 8.26 4.98 0.00 2.82 2.87 0.00 0.00 6.77 6.84 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 91 S 6.96 4.42 0.00 3.81 3.08 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 92 E 8.52 4.75 0.00 2.03 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 2.11 2.17 0.00 93 Q 7.79 4.12 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 94 P 0.00 4.63 0.00 2.04 2.03 0.00 3.69 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 2.05 2.15 0.00 95 I 7.97 4.03 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 1.23 0.56 0.92 0.00 0.00 96 G 7.92 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 0.00 0.00 0.00 97 T 8.54 4.45 4.27 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 1.23 0.00 0.00 98 R 7.96 4.84 0.00 1.90 1.81 0.00 3.17 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 99 I 8.43 5.10 1.99 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 1.34 0.77 0.75 0.00 0.00 100 F 8.29 4.85 0.00 3.08 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 0.00 101 G 9.08 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.71 0.00 2.50 2.30 0.00 3.43 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.09 0.00 103 V 7.97 4.48 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 0.76 0.00 0.00 0.92 0.00 0.00 104 T 7.95 4.71 4.22 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 1.25 0.00 0.00 105 R 8.40 4.08 0.00 2.03 2.24 0.00 2.98 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 106 E 8.14 4.26 0.00 1.93 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 0.00 2.32 2.28 0.00 107 L 7.29 4.34 0.00 1.48 1.35 0.61 0.07 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 0.00 108 R 7.83 4.06 0.00 1.86 2.12 0.00 3.28 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 109 S 7.93 4.19 0.00 4.12 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 0.00 110 E 8.74 3.59 0.00 2.19 1.87 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 2.28 2.29 0.00 111 K 8.22 3.96 0.00 1.56 1.49 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.37 7.81 112 F 8.98 4.77 0.00 3.32 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 0.00 113 M 7.35 3.54 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 114 K 8.15 3.95 0.00 1.76 1.94 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.63 1.60 7.81 115 I 8.52 3.93 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.83 0.00 0.00 116 I 7.36 4.29 1.87 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 1.44 0.53 0.87 0.00 0.00 117 S 8.09 4.61 0.00 3.86 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 0.00 118 L 7.52 4.59 0.00 1.69 1.68 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.66 4.75 1.21 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 0.00 0.00 120 P 0.00 5.00 0.00 2.22 2.22 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 *121 E 8.68 4.15 0.00 1.79 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 2.14 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.