NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4870 8.3049 120.3305 55.4514 33.3622 174.3765 2 M 4.5785 8.5709 123.0452 52.7769 34.8782 169.9257 3 V 4.3501 8.3060 121.7868 60.9827 34.2450 174.1828 4 W 4.6718 8.9213 135.0000 57.3759 31.1666 175.3749 5 T 4.1578 8.4133 124.1641 61.4642 67.0154 172.6595 6 P 4.4947 0.0000 0.0000 63.4752 32.2482 175.9065 7 V 4.2000 7.1782 118.4948 61.1398 33.2335 174.9535 8 N 4.6756 8.4487 123.0511 52.4831 38.1910 174.8261 9 N 5.0012 8.1616 125.1802 52.6882 39.7288 174.7027 10 K 3.9278 8.0529 115.5108 56.4699 32.8611 176.4021 11 M 4.9130 7.9367 120.3745 53.8033 35.5073 175.0110 12 F 4.9988 8.3412 116.8635 57.4437 41.2574 176.8975 13 E 3.5211 8.4514 121.2015 57.1025 27.6591 175.2035 14 T 3.8528 8.3532 121.9230 66.4789 68.9895 174.2824 15 F 4.5215 9.0792 123.8219 57.6850 36.7021 176.3367 16 S 4.5327 8.2777 114.8061 60.2439 62.9267 174.4034 17 Y 4.4014 8.2309 117.5645 58.0797 38.2260 175.1889 18 L 4.6736 7.6257 120.3633 52.0411 43.5047 174.5404 19 P 4.4086 0.0000 0.0000 62.2192 31.5494 174.5787 20 P 4.3511 0.0000 0.0000 62.7190 31.8166 176.3290 21 L 4.0434 8.3448 122.5684 54.5902 42.1821 177.9647 22 T 4.2160 8.2178 114.1989 61.2700 71.0855 175.2803 23 D 4.3292 8.4788 120.6211 57.4437 40.9044 178.6065 24 E 3.9582 8.1168 119.4037 59.3455 29.6643 178.8150 25 Q 3.9232 7.9046 117.7618 58.8455 28.7759 178.5157 26 I 3.7193 8.0180 120.8635 64.4883 37.1637 178.3773 27 A 4.0640 8.1689 121.2757 55.0208 18.1956 179.5902 28 A 3.9903 7.9057 119.2539 55.2875 18.4308 179.8425 29 Q 4.0686 8.1218 116.7364 59.1125 28.8147 179.2197 30 V 3.7252 8.1420 119.2449 66.2097 31.5928 177.6245 31 D 4.4284 8.3517 118.6971 57.5880 40.6638 178.1716 32 Y 4.1259 8.1033 119.7010 60.8662 38.9350 178.2048 33 I 3.8842 7.9259 120.5254 64.6763 37.3744 178.6304 34 V 3.5449 7.9110 118.5636 65.9484 31.1646 177.9433 35 A 3.9394 8.1607 119.7287 54.3380 18.2482 178.2910 36 N 4.0853 7.1066 112.1588 52.1034 38.7693 175.8685 37 G 3.7800 7.2087 108.1786 45.8116 0.0000 173.9837 38 W 4.9354 7.4488 118.6156 56.1791 30.5638 176.1373 39 I 4.4706 8.9796 123.5934 59.4475 37.8389 173.8787 40 P 4.9244 0.0000 0.0000 63.0315 32.8554 174.8520 41 C 5.0602 9.1101 121.2298 58.2195 35.7678 172.2827 42 L 5.3466 8.7487 122.9329 53.1226 44.5586 175.2512 43 E 5.6139 9.1792 121.5336 54.7738 33.9808 174.7338 44 F 5.6042 9.5693 116.6731 55.2982 42.2070 173.1645 45 A 4.5410 8.6980 121.6722 50.3292 21.5196 176.7899 46 T 4.5153 8.5608 110.9315 61.5922 70.9870 174.7467 47 D 4.8426 7.0290 120.4961 54.6855 41.1433 178.7234 48 H 4.2793 8.8775 128.0050 56.9116 28.4782 174.9282 49 G 2.8630 8.2390 112.6291 45.2326 0.0000 172.7186 50 F 5.0922 7.3746 116.9955 54.8447 42.8211 174.7506 51 V 4.2174 8.4287 122.6917 63.8253 32.2141 174.4029 52 Y 4.9670 8.6920 123.9204 56.4270 42.1705 173.5908 53 R 4.7524 8.7245 117.1787 55.1014 32.0546 174.7155 54 E 4.4182 9.7216 125.0795 57.8815 30.6858 176.8993 55 H 4.6849 8.2602 112.6210 56.9600 29.6722 174.1585 56 H 4.4594 7.5060 116.1425 55.4974 32.0454 172.5314 57 N 4.8967 7.8574 117.8948 52.3923 40.5949 175.1643 58 S 4.3056 7.5574 113.4236 56.7671 63.9688 171.6965 59 P 4.2602 0.0000 0.0000 64.5169 31.2046 177.2594 60 G 3.9603 8.8517 110.7331 45.5203 0.0000 172.1386 61 Y 4.2549 7.3347 121.1091 56.1355 39.7860 174.3243 62 Y 4.5365 7.0620 123.1343 56.4195 42.3253 174.4690 63 D 4.2907 8.6253 123.5693 54.4584 41.9515 177.7903 64 G 4.2948 8.6251 108.6067 45.8142 0.0000 174.9324 65 R 3.8897 7.6393 119.0111 58.8262 30.3653 176.9070 66 Y 4.4556 7.6746 114.6644 57.3769 38.6543 174.6214 67 W 5.0398 8.5962 123.2030 54.9989 32.8134 175.1780 68 T 4.0900 8.1107 117.8339 63.3829 68.9914 174.3221 69 M 4.7105 8.5389 126.3360 55.1291 33.2987 175.3024 70 W 4.8100 9.6849 135.0000 56.0246 31.2076 176.9677 71 K 3.5589 8.6091 129.6804 57.4929 30.1667 178.6863 72 L 4.9388 8.3104 125.0397 52.7355 45.3051 173.9865 73 P 4.2800 0.0000 0.0000 63.4018 32.1452 177.5602 74 M 4.3216 8.4435 123.2472 53.5296 30.4416 175.6696 75 F 4.3808 7.4736 118.5118 58.9277 39.9969 176.6476 76 G 4.0007 9.0996 112.2103 45.7289 0.0000 173.0164 77 C 4.3485 7.8076 120.5890 59.3350 31.8886 173.1813 78 R 4.5083 8.6433 124.3080 55.7068 30.8749 174.8353 79 D 4.7788 7.8306 119.3310 51.6272 41.6220 174.4351 80 P 4.2953 0.0000 0.0000 66.5010 30.8397 177.9839 81 M 4.0733 8.1556 117.6839 58.1961 31.8686 178.5966 82 Q 4.0130 8.0272 118.0777 58.9957 28.9212 179.1977 83 V 3.5883 7.7810 118.4534 66.1942 31.5594 177.7443 84 L 4.0311 8.0353 118.5860 58.0908 41.3493 179.8984 85 R 3.9713 8.3721 118.1381 59.2171 29.9139 178.9648 86 E 4.0975 8.2384 118.5656 59.2032 29.4186 179.2730 87 I 3.5523 7.7324 120.1052 64.3156 37.1805 178.6372 88 V 3.5407 7.6829 120.1694 65.2560 31.4017 177.7677 89 A 3.9465 8.1213 120.7989 55.3184 18.2581 179.1177 90 C 2.0000 7.6464 117.4896 62.1578 31.5797 176.0158 91 T 3.7767 7.5931 111.0620 64.2795 67.9903 176.3790 92 K 3.9288 7.6016 121.9845 59.2379 32.3086 178.3796 93 A 3.9755 7.6095 120.0434 53.4184 20.0417 177.6297 94 F 4.7327 7.6643 115.5376 55.2645 39.2140 173.9013 95 P 4.6525 0.0000 0.0000 64.0576 31.9451 177.7553 96 D 4.6371 8.0026 116.9245 53.9456 41.3725 175.6629 97 A 4.6027 7.4477 121.1523 50.7393 20.7480 177.2130 98 Y 4.2743 8.3215 117.8876 57.9959 39.1890 175.4100 99 V 5.2231 9.1385 123.9089 61.1309 35.3567 174.3239 100 R 5.0055 9.4329 123.2909 54.3834 33.2657 173.4900 101 L 4.8257 8.0345 123.9025 53.9161 43.8038 175.6487 102 V 4.8302 8.6517 118.2290 59.4922 36.4057 174.2000 103 A 4.9440 8.1902 122.2011 50.3374 22.8434 175.1226 104 F 5.2595 8.9069 119.2705 55.7072 42.4993 174.0955 105 D 5.3823 8.7297 122.5560 52.7506 42.2603 176.7148 106 N 4.6939 9.1624 123.1759 54.5064 38.3425 176.5858 107 Q 4.1427 8.4612 118.5612 59.2200 28.8823 177.7788 108 K 4.0285 8.2408 114.3601 57.0902 32.9329 176.7822 109 Q 3.3651 8.0039 118.2060 55.9766 27.1232 172.7166 110 V 4.5014 7.6806 117.6124 60.0272 35.0307 174.1816 111 Q 4.4854 8.7290 123.3337 56.4667 29.2886 175.4687 112 I 4.2316 7.9599 124.9757 61.0581 39.6579 174.2405 113 M 4.4932 6.6175 117.3078 54.7046 34.2593 173.6216 114 G 4.8626 8.2737 107.2471 47.2550 0.0000 172.3510 115 F 4.9633 7.0297 114.7996 55.3310 40.8666 172.8896 116 L 4.5838 8.9467 123.1889 55.6556 42.2113 176.8155 117 V 4.5565 8.9216 117.6546 61.3900 33.8078 175.6053 118 Q 4.6720 7.8165 121.1383 54.7860 32.2617 173.0215 119 R 4.6466 8.2780 121.7588 53.1869 32.5915 173.5607 120 P 4.1498 0.0000 0.0000 62.7028 32.2700 176.8702 121 K 4.0761 8.3196 122.2602 55.2223 31.5496 176.3557 *127 Q 4.0403 8.2748 122.2642 54.5992 30.1687 173.7734 128 P 4.1663 0.0000 0.0000 62.4852 32.0071 177.0405 129 A 4.1205 8.6891 124.2227 54.3629 18.3424 177.9345 130 N 4.8799 7.9831 110.2500 52.7483 38.9699 175.2273 131 K 4.3777 7.7286 117.6888 56.6321 32.1694 177.6940 132 R 3.7785 7.5968 120.5232 57.5794 30.9364 176.2509 133 S 5.7776 7.6400 111.8842 55.4693 66.2490 174.6514 134 V 4.1001 8.0645 113.2438 61.7615 32.1392 175.3135 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 4.49 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.57 4.58 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 3 V 8.31 4.35 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.92 4.67 0.00 3.50 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 5 T 8.41 4.16 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 1.06 0.00 0.00 6 P 0.00 4.49 0.00 2.22 2.18 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 1.96 1.95 0.00 7 V 7.18 4.20 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 0.78 0.00 0.00 0.90 0.00 0.00 8 N 8.45 4.68 0.00 2.74 2.76 0.00 0.00 6.66 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 9 N 8.16 5.00 0.00 2.66 2.65 0.00 0.00 7.27 6.68 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 10 K 8.05 3.93 0.00 1.80 1.27 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.30 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.18 1.13 7.81 11 M 7.94 4.91 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 12 F 8.34 5.00 0.00 3.14 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 13 E 8.45 3.52 0.00 2.14 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 2.27 2.16 0.00 14 T 8.35 3.85 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 0.21 0.00 0.00 15 F 9.08 4.52 0.00 3.35 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 16 S 8.28 4.53 0.00 4.12 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 0.00 17 Y 8.23 4.40 0.00 3.02 3.17 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 18 L 7.63 4.67 0.00 1.88 1.60 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.41 0.00 2.17 2.08 0.00 3.79 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 1.97 2.01 0.00 20 P 0.00 4.35 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 21 L 8.34 4.04 0.00 1.64 1.53 0.45 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.22 4.22 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 1.19 0.00 0.00 23 D 8.48 4.33 0.00 2.71 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 24 E 8.12 3.96 0.00 2.02 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 2.36 2.39 0.00 25 Q 7.90 3.92 0.00 2.31 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 8.02 3.72 2.06 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 1.72 0.84 1.09 0.00 0.00 27 A 8.17 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.99 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 29 Q 8.12 4.07 0.00 2.44 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.32 1.83 0.00 30 V 8.14 3.73 2.31 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 1.10 0.00 0.00 1.13 0.00 0.00 31 D 8.35 4.43 0.00 2.96 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 32 Y 8.10 4.13 0.00 3.25 3.39 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 33 I 7.93 3.88 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 1.07 0.00 0.00 34 V 7.91 3.54 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 1.06 0.00 0.00 1.00 0.00 0.00 35 A 8.16 3.94 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 36 N 7.11 4.09 0.00 1.44 1.42 0.00 0.00 7.02 8.36 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 37 G 7.21 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.45 4.94 0.00 3.40 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 39 I 8.98 4.47 2.09 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 1.50 0.98 0.72 0.00 0.00 40 P 0.00 4.92 0.00 2.14 2.21 0.00 3.87 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 41 C 9.11 5.06 0.00 3.06 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 42 L 8.75 5.35 0.00 1.87 1.63 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.18 5.61 0.00 2.10 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 0.00 2.38 2.35 0.00 44 F 9.57 5.60 0.00 3.00 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 45 A 8.70 4.54 -0.29 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 46 T 8.56 4.52 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 47 D 7.03 4.84 0.00 2.58 1.68 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 48 H 8.88 4.28 0.00 3.09 3.21 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.24 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 0.00 0.00 0.00 50 F 7.37 5.09 0.00 3.14 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 51 V 8.43 4.22 2.05 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 0.67 0.00 0.00 0.80 0.00 0.00 52 Y 8.69 4.97 0.00 3.09 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 53 R 8.72 4.75 0.00 1.74 2.05 0.00 3.25 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 54 E 9.72 4.42 0.00 2.18 1.89 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 2.03 2.27 0.00 55 H 8.26 4.68 0.00 3.25 3.36 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.51 4.46 0.00 2.32 1.63 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.86 4.90 0.00 2.55 2.68 0.00 0.00 6.97 7.57 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 58 S 7.56 4.31 0.00 3.99 3.96 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 59 P 0.00 4.26 0.00 2.06 2.06 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 60 G 8.85 3.96 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 0.00 0.00 0.00 61 Y 7.33 4.25 0.00 2.96 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 62 Y 7.06 4.54 0.00 2.75 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 63 D 8.63 4.29 0.00 1.58 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 64 G 8.63 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 65 R 7.64 3.89 0.00 1.45 1.63 0.00 3.02 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 66 Y 7.67 4.46 0.00 3.05 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 67 W 8.60 5.04 0.00 3.12 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 68 T 8.11 4.09 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 0.94 0.00 0.00 69 M 8.54 4.71 0.00 2.09 2.05 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 2.72 2.80 0.00 70 W 9.68 4.81 0.00 3.71 3.36 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 71 K 8.61 3.56 0.00 1.65 0.77 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.87 0.21 7.81 72 L 8.31 4.94 0.00 1.61 1.59 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.28 0.00 0.78 1.84 0.00 3.68 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 1.96 2.17 0.00 74 M 8.44 4.32 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 75 F 7.47 4.38 0.00 3.12 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 76 G 9.10 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 0.00 0.00 0.00 77 C 7.81 4.35 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 78 R 8.64 4.51 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 79 D 7.83 4.78 0.00 2.67 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 80 P 0.00 4.30 0.00 2.33 2.44 0.00 3.77 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 2.10 2.10 0.00 81 M 8.16 4.07 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 82 Q 8.03 4.01 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 83 V 7.78 3.59 2.27 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 1.11 0.00 0.00 1.01 0.00 0.00 84 L 8.04 4.03 0.00 1.92 1.73 0.95 0.83 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 85 R 8.37 3.97 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 86 E 8.24 4.10 0.00 2.24 2.16 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 2.59 2.66 0.00 87 I 7.73 3.55 2.02 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 1.36 0.77 0.87 0.00 0.00 88 V 7.68 3.54 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 1.09 0.00 0.00 0.96 0.00 0.00 89 A 8.12 3.95 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 90 C 7.65 2.00 0.00 1.25 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 91 T 7.59 3.78 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 1.14 0.00 0.00 92 K 7.60 3.93 0.00 1.87 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.38 7.81 93 A 7.61 3.98 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 94 F 7.66 4.73 0.00 2.81 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 95 P 0.00 4.65 0.00 2.11 2.10 0.00 3.25 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 96 D 8.00 4.64 0.00 2.65 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 0.00 0.00 0.00 0.00 97 A 7.45 4.60 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 98 Y 8.32 4.27 0.00 2.19 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.14 5.22 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 1.02 0.00 0.00 0.96 0.00 0.00 100 R 9.43 5.01 0.00 1.88 2.03 0.00 2.35 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.42 0.00 101 L 8.03 4.83 0.00 1.56 0.80 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.65 4.83 1.61 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 0.51 0.00 0.00 0.56 0.00 0.00 103 A 8.19 4.94 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 0.00 104 F 8.91 5.26 0.00 3.02 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 0.00 105 D 8.73 5.38 0.00 2.36 2.44 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 0.00 106 N 9.16 4.69 0.00 2.94 3.06 0.00 0.00 6.32 7.39 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 0.00 107 Q 8.46 4.14 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 108 K 8.24 4.03 0.00 1.76 1.87 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.46 7.81 109 Q 8.00 3.37 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 110 V 7.68 4.50 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 0.57 0.00 0.00 0.91 0.00 0.00 111 Q 8.73 4.49 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 112 I 7.96 4.23 1.28 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.36 -0.44 0.00 0.00 113 M 6.62 4.49 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 114 G 8.27 4.86 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 0.00 0.00 0.00 115 F 7.03 4.96 0.00 3.24 3.17 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 0.00 116 L 8.95 4.58 0.00 1.77 1.71 1.12 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.92 4.56 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 0.74 0.00 0.00 0.92 0.00 0.00 118 Q 7.82 4.67 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 119 R 8.28 4.65 0.00 1.51 1.64 0.00 3.15 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 120 P 0.00 4.15 0.00 1.70 1.88 0.00 2.57 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.58 0.00 121 K 8.32 4.08 0.00 1.69 1.75 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.39 7.81 *127 Q 8.27 4.04 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 128 P 0.00 4.17 0.00 2.13 2.00 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 129 A 8.69 4.12 1.31 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 0.00 0.00 0.00 130 N 7.98 4.88 0.00 2.80 2.91 0.00 0.00 6.03 7.13 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 0.00 131 K 7.73 4.38 0.00 1.73 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.36 7.81 132 R 7.60 3.78 0.00 1.22 0.66 0.00 2.94 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 133 S 7.64 5.78 0.00 3.89 3.96 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 0.00 134 V 8.06 4.10 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 0.64 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.