NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4915 8.2893 120.3260 55.6795 33.3859 173.9322 2 R 4.3985 7.8502 115.3314 54.4173 32.0922 173.1419 3 L 4.1994 9.0951 120.5036 54.7041 42.9603 178.2838 4 L 4.3814 8.6273 124.5709 57.0896 42.6278 176.4506 5 H 5.7494 7.4139 109.7311 56.2525 31.4291 172.5148 6 T 4.5896 8.2937 114.9180 61.9476 71.3315 172.7926 7 M 4.7666 8.5825 126.3016 54.0629 33.9360 175.0018 8 L 4.5222 8.4310 125.1315 52.8152 45.8130 175.8263 9 R 4.5874 8.3934 122.3257 55.7376 30.8611 176.2220 10 V 4.7529 8.7166 116.4919 59.6329 34.6762 176.3677 11 G 3.8301 9.6531 110.7845 46.9012 0.0000 173.3405 12 D 4.4124 7.9356 119.2422 51.8686 43.3179 174.6140 13 L 3.9132 8.1164 128.9209 58.8072 42.0484 178.5192 14 Q 4.0561 7.9031 118.4778 59.0508 29.1315 178.1845 15 R 3.9257 8.2063 119.8401 59.5832 30.1018 178.7966 16 S 4.3623 8.3103 114.9167 61.6407 62.9049 176.5555 17 I 3.8216 8.4763 122.8766 64.6138 36.7929 178.0839 18 D 4.4101 8.7453 119.9172 57.3246 40.6536 178.6350 19 F 4.0189 8.2059 120.6280 61.6992 39.4590 176.7839 20 Y 3.8716 8.3800 116.5928 60.9594 37.6541 178.5858 21 T 4.6429 7.9523 111.9673 63.9016 69.1977 177.3297 22 K 3.9312 8.1001 121.7294 58.3533 32.5270 178.8828 23 V 3.6751 7.5222 116.9017 65.2087 31.6586 176.7872 24 L 4.0752 7.2957 116.7035 54.9442 41.8245 177.9414 25 G 3.9404 8.0162 106.6447 45.8410 0.0000 173.4273 26 M 4.1461 7.8661 120.3099 54.4564 34.1319 175.0509 27 K 4.8189 8.5211 118.2990 54.4411 35.9338 176.0865 28 L 4.2118 8.4745 125.5854 55.0352 41.6534 176.3501 29 L 4.3909 9.2856 128.7173 57.4348 42.3646 177.6161 30 R 4.6502 7.5481 112.1607 55.9738 31.9885 173.5577 31 T 5.5122 8.4866 109.5653 60.7103 72.4993 172.5727 32 S 4.9063 8.7458 115.1093 57.6614 66.6458 173.3862 33 E 5.1762 8.7100 117.9617 54.8356 32.9633 174.6953 34 N 4.7308 8.8205 120.4693 51.0452 40.7127 172.9956 35 P 4.3717 0.0000 0.0000 65.4175 32.0201 177.9347 36 E 3.7580 8.1376 119.0928 59.1414 29.5081 176.8575 37 Y 4.3667 8.2404 113.1038 57.1305 39.1207 175.3928 38 K 2.0000 7.2388 119.7469 56.3064 29.8393 173.1835 39 Y 4.8362 5.3700 115.8155 55.6355 42.3442 175.6661 40 S 5.3698 9.8758 115.7441 56.9695 67.3587 173.2722 41 L 5.4242 9.4465 122.0539 53.0247 45.8690 175.4322 42 A 5.0764 8.4595 122.1545 50.4625 22.7089 174.9100 43 F 5.0455 9.4621 122.1407 55.8543 41.3214 175.3774 44 V 4.8710 8.4032 117.2153 59.8053 35.3271 175.1223 45 G 4.1438 8.3521 109.4209 46.4525 0.0000 173.2561 46 Y 4.6811 8.7464 116.0123 58.3725 38.4717 175.7265 47 G 4.2437 7.5525 107.3034 43.2695 0.0000 171.0270 48 P 4.4214 0.0000 0.0000 62.3955 31.7329 177.3002 49 E 4.0437 8.7683 119.5842 59.8027 29.4331 178.6592 50 T 4.1452 7.8373 106.6726 62.9772 69.3301 174.7157 51 E 4.5437 8.3564 120.8344 56.6440 31.6041 175.0079 52 E 4.6990 7.7508 115.3580 54.5545 33.8805 173.8436 53 A 4.7426 8.3316 121.0285 51.9555 20.1926 177.2564 54 V 4.5669 8.6696 112.8750 60.0740 36.7470 173.8495 55 I 4.7939 8.5937 121.3469 59.9293 40.0318 174.7968 56 E 4.1097 8.7206 128.0082 54.3847 31.2274 174.4649 57 L 4.6547 8.6211 128.7983 53.9033 43.4153 175.8930 58 T 4.9237 8.8147 121.6815 61.8385 71.2030 172.7729 59 Y 5.0424 9.1074 128.2264 55.9620 41.2921 173.9780 60 N 4.9623 8.0080 123.0622 51.4671 40.1855 175.1023 61 W 4.3272 8.0657 124.3356 58.6797 29.4886 176.8358 62 G 3.8781 8.9580 111.1690 45.5355 0.0000 173.2850 63 V 4.0067 7.7328 120.4387 61.4108 30.9868 174.8066 64 D 5.1682 8.3292 125.4539 52.0678 40.0738 175.6990 65 K 4.5313 7.1415 119.5675 55.5205 35.1110 174.0410 66 Y 4.6718 8.1587 121.4140 56.2299 41.9967 174.1632 67 E 4.4523 8.6253 121.6556 54.4220 30.0602 175.1642 68 L 3.8440 8.6107 129.4565 56.3553 42.3521 178.0666 69 G 3.9509 8.7686 107.3078 45.1071 0.0000 172.8719 70 T 4.4587 8.3036 105.9922 61.3253 69.5283 175.0929 71 A 4.1508 8.0324 125.2647 55.1978 19.0994 177.5537 72 Y 4.1741 8.0573 115.7582 58.0085 38.6684 175.1065 73 G 3.4432 6.8936 115.8493 45.0168 0.0000 174.4570 74 H 4.4776 6.1202 115.3092 54.6067 31.6460 172.8073 75 I 4.7509 8.0496 117.5537 59.5187 40.0315 174.8455 76 A 5.2115 8.7419 127.6895 50.2990 20.9801 175.8780 77 L 5.0156 9.0792 121.7238 52.7869 45.9598 176.1438 78 S 5.4832 8.4214 116.0089 57.3625 64.7057 173.6805 79 V 4.4613 7.8936 113.2920 59.9312 35.5982 176.3077 80 D 4.2477 8.7837 122.7029 56.9462 41.2850 176.9133 81 N 4.8600 7.7805 117.1228 51.0781 40.6629 174.0522 82 A 3.9544 9.3109 131.3974 55.1712 18.6895 178.8356 83 A 3.9187 8.0560 118.5456 55.3324 18.5210 179.3238 84 E 3.8531 8.2679 117.1125 59.3793 29.6989 178.8216 85 A 3.9899 8.0622 120.7993 55.3649 18.3414 179.3482 86 C 4.1170 8.4083 115.5343 63.0657 28.0672 176.3062 87 E 3.9599 8.1076 119.7465 59.1596 28.8369 179.2298 88 K 3.9228 7.9086 118.5940 59.5387 32.5746 178.6133 89 I 3.9483 8.1758 120.6640 64.4503 36.9060 178.6929 90 R 4.0672 8.1352 115.3991 58.6589 29.2340 177.7695 91 Q 4.5049 7.6722 116.4104 55.5257 30.1420 174.9595 92 N 5.0372 8.2374 117.1898 52.5737 39.5047 175.2907 93 G 3.9368 8.6399 106.5461 44.9732 0.0000 172.6189 94 G 4.2862 7.5712 106.1592 44.7062 0.0000 172.1087 95 N 5.1001 8.5703 116.6749 52.1842 42.8016 173.7936 96 V 4.5339 8.5285 126.3813 62.2628 31.9164 175.1385 97 T 4.3859 8.8060 118.0753 62.4707 70.9033 174.3776 98 R 4.5227 8.4693 121.9934 53.9244 32.4614 174.4173 99 E 4.4402 9.0637 125.3623 56.4876 30.3475 177.2439 100 A 4.2841 8.8202 124.4403 52.0930 19.1893 177.1603 101 G 4.1382 8.3260 109.4944 44.9958 0.0000 170.7650 102 P 5.1776 0.0000 0.0000 62.4876 32.3313 176.5231 103 V 3.8840 8.3211 121.3661 60.6050 32.3554 175.6684 104 K 3.9352 8.7950 123.6212 58.3571 32.2390 176.1938 105 G 3.9800 8.8463 113.8441 45.8437 0.0000 172.7129 106 G 4.1469 7.9599 106.3322 44.9582 0.0000 173.6187 107 T 4.4790 8.1504 107.2163 61.6460 70.8481 174.8867 108 T 3.9584 7.7942 120.0696 63.8302 69.7404 173.2117 109 V 4.6465 8.3966 126.4227 61.9905 33.2452 174.6463 110 I 5.2469 8.7293 119.9480 59.7612 41.6522 173.5567 111 A 5.0915 8.6606 123.1522 50.8467 23.2954 175.0459 112 F 5.1006 9.0847 117.4563 55.9060 42.8028 175.1109 113 V 5.2228 9.1906 115.6103 59.8369 36.8903 173.8962 114 E 5.3773 9.3084 120.2747 54.8737 33.4795 176.6850 115 D 4.1761 8.9046 123.4077 51.3497 41.1721 175.2861 116 P 4.1857 0.0000 0.0000 64.6605 31.1760 177.1459 117 D 4.5877 8.5231 116.0697 53.9284 40.9442 177.2920 118 G 3.9080 8.2443 108.1865 45.0490 0.0000 173.5130 119 Y 4.5196 7.8873 118.1449 57.7938 38.7618 175.3426 120 K 4.8749 9.1141 123.4248 56.4766 33.9593 175.8951 121 I 5.1312 9.3997 124.8259 59.5822 41.0394 173.8365 122 E 4.0695 9.0713 128.3765 54.4710 31.4686 174.3429 123 L 5.0526 8.7287 127.3155 53.1078 44.2911 175.3509 124 I 4.7435 8.4830 125.6689 59.0827 39.5475 174.8435 125 E 4.5901 9.1420 130.2956 56.3543 29.4987 176.4713 126 E 4.1359 8.7848 124.6168 56.9360 31.0484 176.9789 *134 G 3.7888 7.8192 108.9985 44.7578 0.0000 172.3324 135 N 4.4622 8.4019 122.1026 52.8835 37.1236 174.5053 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 8.29 4.49 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.85 4.40 0.00 1.95 1.85 0.00 3.03 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 3 L 9.10 4.20 0.00 1.65 1.68 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.63 4.38 0.00 1.51 1.72 0.90 0.97 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 5 H 7.41 5.75 0.00 3.25 3.33 0.00 5.08 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 6 T 8.29 4.59 4.20 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 1.15 0.00 0.00 7 M 8.58 4.77 0.00 1.89 2.03 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 2.41 0.00 8 L 8.43 4.52 0.00 1.06 0.54 0.17 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.39 4.59 0.00 0.67 1.00 0.00 2.61 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.31 0.00 10 V 8.72 4.75 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 0.79 0.00 0.00 1.14 0.00 0.00 11 G 9.65 3.83 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 0.00 0.00 0.00 12 D 7.94 4.41 0.00 2.67 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 13 L 8.12 3.91 0.00 1.64 1.53 0.99 0.79 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 14 Q 7.90 4.06 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 15 R 8.21 3.93 0.00 2.15 2.14 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 16 S 8.31 4.36 0.00 4.16 4.16 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 17 I 8.48 3.82 2.04 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 1.56 1.00 0.96 0.00 0.00 18 D 8.75 4.41 0.00 2.85 2.77 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 19 F 8.21 4.02 0.00 3.11 3.06 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 0.00 0.00 0.00 0.00 20 Y 8.38 3.87 0.00 3.21 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 21 T 7.95 4.64 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 22 K 8.10 3.93 0.00 1.87 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.38 7.81 23 V 7.52 3.68 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 0.46 0.00 0.00 0.82 0.00 0.00 24 L 7.30 4.08 0.00 1.78 1.76 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.02 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 0.00 0.00 0.00 26 M 7.87 4.15 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.89 0.00 27 K 8.52 4.82 0.00 1.64 1.67 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.51 7.81 28 L 8.47 4.21 0.00 1.67 1.63 1.03 1.02 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 29 L 9.29 4.39 0.00 1.67 1.71 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.55 4.65 0.00 1.84 1.95 0.00 2.76 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.59 0.00 31 T 8.49 5.51 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 1.28 0.00 0.00 32 S 8.75 4.91 0.00 3.99 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 33 E 8.71 5.18 0.00 2.32 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 0.00 2.27 2.44 0.00 34 N 8.82 4.73 0.00 2.21 1.42 0.00 0.00 6.93 8.51 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 35 P 0.00 4.37 0.00 2.27 2.38 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 36 E 8.14 3.76 0.00 1.67 1.67 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 0.00 1.47 1.83 0.00 37 Y 8.24 4.37 0.00 3.18 3.09 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 0.00 38 K 7.24 2.00 0.00 1.74 1.51 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.20 7.81 39 Y 5.37 4.84 0.00 3.02 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 40 S 9.88 5.37 0.00 4.16 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 41 L 9.45 5.42 0.00 1.62 1.25 1.16 0.92 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 42 A 8.46 5.08 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 43 F 9.46 5.05 0.00 2.98 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 44 V 8.40 4.87 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 0.73 0.00 0.00 0.69 0.00 0.00 45 G 8.35 4.14 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 0.00 46 Y 8.75 4.68 0.00 3.04 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 47 G 7.55 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 48 P 0.00 4.42 0.00 2.22 2.19 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 49 E 8.77 4.04 0.00 1.89 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 2.28 2.25 0.00 50 T 7.84 4.15 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 1.19 0.00 0.00 51 E 8.36 4.54 0.00 2.02 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 0.00 2.24 2.24 0.00 52 E 7.75 4.70 0.00 1.93 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 2.24 2.30 0.00 53 A 8.33 4.74 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 54 V 8.67 4.57 2.38 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 0.75 0.00 0.00 1.15 0.00 0.00 55 I 8.59 4.79 1.55 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.60 0.55 0.00 0.00 56 E 8.72 4.11 0.00 1.53 1.52 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 1.75 1.47 0.00 57 L 8.62 4.65 0.00 1.53 1.51 0.87 0.21 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 58 T 8.81 4.92 4.06 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 0.00 0.00 0.00 1.02 0.00 0.00 59 Y 9.11 5.04 0.00 3.15 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 60 N 8.01 4.96 0.00 2.65 2.65 0.00 0.00 6.56 7.55 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 61 W 8.07 4.33 0.00 3.33 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 62 G 8.96 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 63 V 7.73 4.01 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 0.30 0.00 0.00 0.88 0.00 0.00 64 D 8.33 5.17 0.00 2.90 2.94 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 65 K 7.14 4.53 0.00 1.59 1.53 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.46 7.81 66 Y 8.16 4.67 0.00 2.91 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 67 E 8.63 4.45 0.00 1.92 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 2.22 2.35 0.00 68 L 8.61 3.84 0.00 1.52 1.67 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.77 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 70 T 8.30 4.46 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 71 A 8.03 4.15 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 72 Y 8.06 4.17 0.00 2.94 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 73 G 6.89 3.44 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 0.00 0.00 0.00 0.00 74 H 6.12 4.48 0.00 3.33 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.05 4.75 2.03 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 1.27 0.99 1.02 0.00 0.00 76 A 8.74 5.21 1.25 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 77 L 9.08 5.02 0.00 1.57 1.62 1.14 0.94 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 78 S 8.42 5.48 0.00 3.79 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 79 V 7.89 4.46 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 0.76 0.00 0.00 0.91 0.00 0.00 80 D 8.78 4.25 0.00 2.63 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 81 N 7.78 4.86 0.00 2.75 2.63 0.00 0.00 7.09 7.89 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 82 A 9.31 3.95 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 83 A 8.06 3.92 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 84 E 8.27 3.85 0.00 2.03 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 0.00 2.29 2.31 0.00 85 A 8.06 3.99 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 86 C 8.41 4.12 0.00 3.15 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 87 E 8.11 3.96 0.00 2.02 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 0.00 2.54 2.46 0.00 88 K 7.91 3.92 0.00 1.82 1.96 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 89 I 8.18 3.95 2.11 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 1.50 0.74 1.18 0.00 0.00 90 R 8.14 4.07 0.00 1.99 2.16 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.70 0.00 91 Q 7.67 4.50 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.42 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 92 N 8.24 5.04 0.00 2.81 2.79 0.00 0.00 7.14 7.04 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 93 G 8.64 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 0.00 0.00 0.00 94 G 7.57 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 0.00 0.00 0.00 0.00 95 N 8.57 5.10 0.00 2.85 2.61 0.00 0.00 7.22 7.08 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 96 V 8.53 4.53 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 0.96 0.00 0.00 0.99 0.00 0.00 97 T 8.81 4.39 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 1.29 0.00 0.00 98 R 8.47 4.52 0.00 1.96 2.19 0.00 3.54 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 99 E 9.06 4.44 0.00 1.91 1.92 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 2.35 2.31 0.00 100 A 8.82 4.28 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 0.00 101 G 8.33 4.14 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 0.00 102 P 0.00 5.18 0.00 2.19 2.07 0.00 3.77 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 1.97 0.00 103 V 8.32 3.88 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 0.70 0.00 0.00 0.96 0.00 0.00 104 K 8.80 3.94 0.00 1.74 1.81 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 105 G 8.85 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 0.00 106 G 7.96 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 0.00 0.00 0.00 107 T 8.15 4.48 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 1.21 0.00 0.00 108 T 7.79 3.96 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 1.19 0.00 0.00 109 V 8.40 4.65 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 1.01 0.00 0.00 0.97 0.00 0.00 110 I 8.73 5.25 1.79 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.87 0.00 0.00 111 A 8.66 5.09 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 0.00 112 F 9.08 5.10 0.00 3.05 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 0.00 113 V 9.19 5.22 2.30 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 0.82 0.00 0.00 1.06 0.00 0.00 114 E 9.31 5.38 0.00 1.85 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 2.41 2.29 0.00 115 D 8.90 4.18 0.00 2.07 2.79 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 0.00 116 P 0.00 4.19 0.00 1.99 2.06 0.00 3.01 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 117 D 8.52 4.59 0.00 2.84 2.61 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 0.00 118 G 8.24 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 0.00 119 Y 7.89 4.52 0.00 3.44 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 0.00 120 K 9.11 4.87 0.00 2.04 1.96 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.47 7.81 121 I 9.40 5.13 2.02 0.00 0.00 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 1.37 1.18 1.08 0.00 0.00 122 E 9.07 4.07 0.00 1.27 1.52 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 1.85 1.47 0.00 123 L 8.73 5.05 0.00 1.48 1.50 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.48 4.74 1.82 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 1.00 0.73 0.87 0.00 0.00 125 E 9.14 4.59 0.00 2.03 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 2.29 2.29 0.00 126 E 8.78 4.14 0.00 2.00 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 2.47 2.22 0.00 *134 G 7.82 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 0.00 135 N 8.40 4.46 0.00 2.84 2.83 0.00 0.00 6.13 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 * Residues marked with a * may have inaccurate shift predictions.