NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4589 8.3349 115.4121 58.1031 64.8152 172.9678 3 N 4.9768 8.0134 119.7731 52.6015 41.6161 171.7995 4 T 4.7894 9.1617 115.7436 62.8927 72.8659 173.3327 5 L 4.8831 8.1928 118.8515 53.5707 43.9025 176.2439 6 F 4.7745 7.7122 119.6446 58.1047 42.3648 172.0147 7 D 4.8005 7.0418 123.5829 52.7759 44.3306 173.4889 8 D 4.2925 7.6713 122.9998 54.3499 46.1084 174.4885 9 I 5.2509 7.8276 120.6127 59.6091 41.3384 174.9788 10 F 6.0638 9.4870 122.7132 54.9519 44.2094 173.2825 11 Q 5.6644 8.4841 119.7696 53.1030 32.1215 173.9776 12 V 3.8928 8.6230 126.4270 63.4085 31.7179 176.2978 13 S 4.2102 9.0910 125.0103 61.3410 63.3137 174.3447 14 E 4.7837 7.7025 117.2353 55.2464 32.6277 174.5822 15 V 4.6260 8.5460 124.6711 61.1687 34.4361 174.2713 16 D 4.7677 8.9601 126.2845 52.1883 44.1529 172.5055 17 P 4.6534 0.0000 0.0000 60.9360 30.7590 175.4635 18 G 3.7043 7.9854 120.8822 44.9997 0.0000 171.1503 19 R 3.9185 7.7983 115.9486 58.3217 27.8251 177.2730 20 Y 5.1684 7.4317 112.6587 55.9988 38.2885 176.2111 21 N 4.1204 8.0111 119.3764 55.6250 39.2829 176.0522 22 K 4.5260 8.0104 114.4487 55.9199 33.4258 175.3364 23 V 4.8465 8.0833 119.1166 61.8850 34.9219 173.1210 24 C 5.2217 8.8431 124.5380 57.9086 31.8677 173.4095 25 R 4.5824 8.6080 122.6927 56.1767 31.2946 175.1703 26 I 5.2137 8.7703 124.8457 59.5946 41.6621 174.2119 27 E 5.9149 8.9713 123.2870 53.7633 33.0403 174.8549 28 A 5.3022 8.5876 124.1883 50.6504 23.8278 173.9025 29 A 5.1650 8.7582 120.2860 50.3640 22.5935 175.4359 30 S 4.5374 8.0849 112.5279 56.6780 63.7004 174.9132 31 T 4.5250 7.1972 123.1835 61.9227 69.1670 173.7146 32 T 4.2037 7.4972 125.8268 63.9562 76.4400 176.9500 33 Q 4.1883 9.0737 128.1586 56.6917 29.9364 176.2912 34 D 4.5601 8.7251 121.1119 55.1127 40.7358 176.9385 35 Q 4.2572 7.9685 119.2906 57.8689 30.0942 175.8485 36 C 5.0663 7.8854 122.1286 59.7680 31.7407 172.2622 37 K 4.9230 8.4769 124.9752 54.7294 34.5426 175.6620 38 L 4.8618 8.9282 123.1386 53.8532 46.1500 175.2835 39 T 4.9874 8.5380 121.1148 61.8196 72.0885 172.7503 40 L 5.1230 9.5712 129.8155 53.2807 45.6328 175.2960 41 D 4.9667 8.8233 126.5208 54.8640 41.8904 175.8694 42 I 4.7273 8.4365 120.9897 60.1615 42.3575 174.1261 43 N 4.6490 9.6047 125.2924 52.3870 38.6587 175.8492 44 V 4.0550 7.7743 131.2565 63.0664 31.6152 176.7587 45 E 4.4421 8.3664 118.5014 56.7992 31.9398 175.7157 46 L 4.4838 8.8486 116.0742 54.9742 42.4483 177.3234 47 F 4.8498 7.4631 119.6966 56.2540 40.7197 171.3258 48 P 4.2880 0.0000 0.0000 62.2055 32.1200 176.4359 49 V 4.1298 7.9066 119.7289 61.7436 34.3490 173.2502 50 A 4.7355 7.8876 129.2200 49.4907 21.5771 175.5348 51 A 3.8716 8.5183 121.8117 53.7958 18.7420 177.3922 52 Q 3.3393 9.0295 119.0538 56.7241 26.1740 172.7983 53 D 4.8722 7.9503 119.9832 52.8662 46.3795 174.4706 54 S 5.1569 8.7200 115.6108 57.1788 62.7991 172.8140 55 L 4.8257 8.6624 127.0898 54.0280 44.6377 175.7229 56 T 5.0172 8.2260 119.0629 62.1256 70.4938 173.8135 57 V 4.5488 8.5391 126.8977 62.1202 33.1355 174.9165 58 T 5.3311 8.0045 120.7260 63.3750 73.5962 175.6133 59 I 4.9637 8.4058 122.4308 59.4138 37.5139 178.6501 60 A 4.0206 9.4227 131.9929 52.6744 18.2598 178.0720 61 S 4.8131 7.9425 112.9910 54.4008 62.4854 172.7541 62 S 4.0423 7.6660 118.2538 60.3838 65.9104 179.0742 63 L 3.2636 7.7154 118.5117 56.8673 37.7044 176.4538 *76 T 4.1403 7.2956 110.0024 63.4951 70.3031 171.7984 77 R 4.0024 8.2299 126.2809 54.9222 30.5417 176.8548 78 S 4.2059 8.7544 115.4711 58.6441 63.1623 173.8348 79 W 4.4538 8.8669 133.1101 56.8856 31.0037 175.7241 80 R 3.9785 8.0382 125.3630 54.6833 31.3307 175.3195 81 P 4.0986 0.0000 0.0000 61.4154 32.2377 175.0793 82 P 4.3973 0.0000 0.0000 63.6807 29.6981 177.2411 83 Q 3.7412 9.7189 121.2759 57.3129 27.8669 175.5371 84 A 4.1556 7.6562 115.3314 52.9652 17.7382 178.9757 85 G 3.8197 8.1872 108.2995 48.7824 0.0000 174.4215 86 D 4.7571 7.7911 117.3055 53.9570 42.4321 174.5245 87 R 4.8119 7.9169 118.7902 53.4672 32.7726 175.8041 88 S 4.2937 8.3451 112.5313 60.1751 63.3531 174.9070 89 L 4.5347 7.7868 117.6311 54.7412 43.7090 175.5315 90 A 4.5673 8.1237 126.7165 52.5087 18.5641 177.7798 91 D 5.0465 8.5915 117.8120 55.1935 39.7640 178.2478 92 D 4.6884 8.4733 115.6054 55.7276 40.1439 175.4961 93 Y 4.9543 8.8067 119.6127 56.7440 40.8525 174.7464 94 D 5.0415 9.3722 119.7743 54.8071 43.1483 175.9446 95 Y 4.4948 7.5799 121.0467 56.5896 41.7513 173.6263 96 V 4.8861 8.5419 126.6572 60.6764 34.0294 174.4472 97 M 4.5074 7.9708 128.0920 54.4389 35.0245 174.4133 98 Y 5.2650 8.1854 119.4124 57.0595 41.3200 173.7097 99 G 3.7384 8.8673 115.7519 46.2480 0.0000 172.0121 100 T 5.0177 9.8321 119.4808 60.8482 73.7158 172.6467 101 A 4.3440 8.3406 124.1871 49.7194 20.3659 175.8858 102 Y 4.5084 8.4429 119.6127 57.7374 39.8943 175.8531 103 K 4.7503 7.1933 120.2838 54.1930 36.2250 174.8688 104 F 5.0206 9.0129 123.9690 55.7017 39.7899 174.4295 105 E 4.3610 8.9131 124.3259 55.5357 31.6001 174.7262 106 E 4.5145 8.4951 123.9108 53.4614 29.4340 176.8705 107 V 3.7960 7.8279 128.3979 63.4430 29.9052 175.4085 108 S 3.4726 8.2848 118.2647 58.4158 64.6056 172.9792 109 K 3.6546 8.2310 117.2043 58.0567 30.6484 175.3837 110 D 4.8317 8.4965 116.1589 54.7342 39.8424 176.5032 111 L 4.8659 7.9443 120.4538 54.2885 44.1588 176.2048 112 I 4.9625 8.1965 124.0390 59.3998 40.0125 174.6653 113 A 5.1172 8.4382 127.9458 49.3569 22.3698 175.3006 114 V 4.4604 7.6930 112.0739 59.6776 35.6135 174.4898 115 Y 4.9384 8.3611 121.5739 56.9426 40.3012 174.3458 116 Y 4.7217 9.1086 118.6272 56.5561 42.5989 174.4586 117 S 4.7270 9.6049 116.7989 56.7814 66.2007 173.6647 118 F 4.6782 8.7682 127.4463 56.0495 37.8688 175.9311 119 G 3.7821 8.6857 109.3580 46.1529 0.0000 171.1043 120 G 3.5068 6.9317 109.6474 44.7324 0.0000 174.2889 121 L 4.7700 7.7586 120.1223 53.1219 43.4322 176.9788 122 L 5.4951 9.7589 125.5975 54.3504 43.9377 175.4689 123 M 5.2581 8.2772 117.2244 54.8393 35.9989 173.0521 124 R 4.5116 9.1617 124.6497 54.3554 33.4700 173.6535 125 L 4.9143 8.2077 127.3725 53.3462 45.9142 174.5025 126 E 4.6636 7.9446 122.6767 53.1650 32.9908 173.5370 127 G 4.1921 7.7714 117.4676 45.7178 0.0000 174.9619 128 N 4.7816 8.0857 133.7623 53.7452 40.0007 173.6871 129 Y 4.6046 6.5590 115.0083 58.1316 39.0082 175.9627 130 R 4.7365 7.5110 119.8787 56.6646 30.4780 177.8874 131 N 4.3389 7.7965 119.0395 56.0720 38.5656 175.9498 132 L 4.7663 7.9067 113.2669 54.5096 42.9928 176.7281 133 N 4.6101 7.9526 116.4895 55.3798 39.2623 175.3591 134 N 4.5521 8.0176 118.5787 53.1960 38.8026 175.9465 135 L 4.4550 8.3722 125.9046 54.5840 42.8210 177.3754 136 K 4.7166 8.4449 118.9323 56.8137 34.0302 176.1916 137 Q 4.3933 7.9097 118.5304 54.5843 30.2942 175.6926 138 E 3.9978 8.8404 119.0157 59.6922 29.8633 175.9453 139 N 4.2420 7.5976 113.0139 52.1083 38.8303 174.7947 140 A 5.5904 8.2525 128.6636 52.6901 20.7240 174.1726 141 Y 4.5869 8.6675 118.8384 57.6173 39.7301 174.3407 142 L 5.0393 8.7941 124.9805 53.5216 45.0976 175.0037 143 L 5.4187 7.8400 121.4020 52.7073 46.5567 175.3306 144 I 5.4178 8.1646 120.0351 60.3396 41.7926 174.0348 145 R 5.0352 8.4121 120.7895 55.7071 33.2987 175.3534 146 R 4.3101 8.7975 118.7526 56.9317 30.5465 176.2290 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 2 S 8.33 4.46 0.00 3.99 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 3 N 8.01 4.98 0.00 2.78 2.79 0.00 0.00 6.92 6.65 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 4 T 9.16 4.79 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 1.26 0.00 0.00 5 L 8.19 4.88 0.00 1.75 1.72 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.71 4.77 0.00 3.15 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 7 D 7.04 4.80 0.00 2.55 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 0.00 0.00 0.00 0.00 8 D 7.67 4.29 0.00 2.50 2.35 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 9 I 7.83 5.25 1.82 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 1.27 0.88 1.03 0.00 0.00 10 F 9.49 6.06 0.00 2.91 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 11 Q 8.48 5.66 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 12 V 8.62 3.89 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 0.99 0.00 0.00 0.99 0.00 0.00 13 S 9.09 4.21 0.00 3.93 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 14 E 7.70 4.78 0.00 2.02 1.77 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 2.20 2.22 0.00 15 V 8.55 4.63 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 0.86 0.00 0.00 1.03 0.00 0.00 16 D 8.96 4.77 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.13 2.09 0.00 3.82 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 1.91 1.96 0.00 18 G 7.99 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.92 0.00 1.81 2.04 0.00 3.30 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 20 Y 7.43 5.17 0.00 2.98 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 21 N 8.01 4.12 0.00 2.74 2.92 0.00 0.00 7.07 7.61 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 22 K 8.01 4.53 0.00 1.74 1.76 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.37 7.81 23 V 8.08 4.85 1.95 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 0.77 0.00 0.00 0.95 0.00 0.00 24 C 8.84 5.22 0.00 2.97 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 25 R 8.61 4.58 0.00 2.16 1.84 0.00 3.08 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 I 8.77 5.21 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.92 0.00 0.00 27 E 8.97 5.91 0.00 1.89 1.81 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 2.21 2.08 0.00 28 A 8.59 5.30 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 29 A 8.76 5.16 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 30 S 8.08 4.54 0.00 3.73 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 31 T 7.20 4.53 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 1.17 0.00 0.00 32 T 7.50 4.20 4.17 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 1.14 0.00 0.00 33 Q 9.07 4.19 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.18 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 34 D 8.73 4.56 0.00 2.68 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 35 Q 7.97 4.26 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 36 C 7.89 5.07 0.00 3.11 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 37 K 8.48 4.92 0.00 1.66 1.72 0.00 1.93 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.66 7.81 38 L 8.93 4.86 0.00 1.47 1.23 0.71 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.54 4.99 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 1.27 0.00 0.00 40 L 9.57 5.12 0.00 1.47 1.34 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.82 4.97 0.00 2.73 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 42 I 8.44 4.73 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.85 1.36 0.00 0.00 43 N 9.60 4.65 0.00 2.80 2.60 0.00 0.00 6.89 8.26 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 44 V 7.77 4.05 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 0.77 0.00 0.00 1.07 0.00 0.00 45 E 8.37 4.44 0.00 1.89 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 2.15 2.27 0.00 46 L 8.85 4.48 0.00 1.45 1.61 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.46 4.85 0.00 2.59 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 48 P 0.00 4.29 0.00 1.92 1.88 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 49 V 7.91 4.13 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 0.75 0.00 0.00 0.72 0.00 0.00 50 A 7.89 4.74 1.22 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 0.00 0.00 0.00 51 A 8.52 3.87 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 52 Q 9.03 3.34 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 53 D 7.95 4.87 0.00 2.57 2.55 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 0.00 0.00 0.00 0.00 54 S 8.72 5.16 0.00 3.91 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 55 L 8.66 4.83 0.00 1.76 1.75 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.23 5.02 4.39 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 1.35 0.00 0.00 57 V 8.54 4.55 2.47 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 1.19 0.00 0.00 0.65 0.00 0.00 58 T 8.00 5.33 4.09 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 1.33 0.00 0.00 59 I 8.41 4.96 1.96 0.00 0.00 0.50 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 1.73 0.96 0.00 0.00 60 A 9.42 4.02 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 61 S 7.94 4.81 0.00 4.03 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 62 S 7.67 4.04 0.00 3.87 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 63 L 7.72 3.26 0.00 1.68 1.91 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.30 4.14 4.41 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 1.31 0.00 0.00 77 R 8.23 4.00 0.00 2.03 2.00 0.00 3.28 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 78 S 8.75 4.21 0.00 4.08 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 79 W 8.87 4.45 0.00 3.35 3.21 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 80 R 8.04 3.98 0.00 1.59 1.59 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 81 P 0.00 4.10 0.00 1.85 1.33 0.00 3.40 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 82 P 0.00 4.40 0.00 2.15 1.50 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 83 Q 9.72 3.74 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 7.66 4.16 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 85 G 8.19 3.82 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 0.00 0.00 0.00 86 D 7.79 4.76 0.00 2.57 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 87 R 7.92 4.81 0.00 1.77 1.84 0.00 3.21 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 88 S 8.35 4.29 0.00 3.96 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 89 L 7.79 4.53 0.00 1.71 1.90 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.12 4.57 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 91 D 8.59 5.05 0.00 2.87 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 92 D 8.47 4.69 0.00 2.58 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 93 Y 8.81 4.95 0.00 2.76 3.19 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 94 D 9.37 5.04 0.00 2.63 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 95 Y 7.58 4.49 0.00 1.84 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 0.00 0.00 0.00 0.00 96 V 8.54 4.89 2.14 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 1.13 0.00 0.00 0.92 0.00 0.00 97 M 7.97 4.51 0.00 1.56 1.05 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.62 0.00 98 Y 8.19 5.26 0.00 2.23 2.55 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 0.00 0.00 0.00 0.00 99 G 8.87 3.74 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 0.00 0.00 0.00 100 T 9.83 5.02 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 1.12 0.00 0.00 101 A 8.34 4.34 0.44 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 0.00 102 Y 8.44 4.51 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 0.00 103 K 7.19 4.75 0.00 1.74 1.43 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.46 7.81 104 F 9.01 5.02 0.00 2.84 3.02 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 0.00 105 E 8.91 4.36 0.00 2.20 1.96 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 2.34 2.34 0.00 106 E 8.50 4.51 0.00 1.88 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 2.23 2.30 0.00 107 V 7.83 3.80 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 0.78 0.00 0.00 0.92 0.00 0.00 108 S 8.28 3.47 0.00 4.16 4.04 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 0.00 0.00 0.00 109 K 8.23 3.65 0.00 1.87 1.74 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.41 7.81 110 D 8.50 4.83 0.00 2.79 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 0.00 111 L 7.94 4.87 0.00 2.01 1.59 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.20 4.96 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.01 0.92 0.00 0.00 113 A 8.44 5.12 1.07 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 0.00 0.00 114 V 7.69 4.46 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.70 0.00 0.00 115 Y 8.36 4.94 0.00 2.05 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 0.00 0.00 0.00 0.00 116 Y 9.11 4.72 0.00 2.70 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 0.00 0.00 0.00 0.00 117 S 9.60 4.73 0.00 3.81 3.42 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 0.00 118 F 8.77 4.68 0.00 3.10 3.11 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 0.00 119 G 8.69 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 0.00 120 G 6.93 3.51 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 0.00 121 L 7.76 4.77 0.00 1.91 1.75 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.76 5.50 0.00 1.77 1.83 1.04 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.28 5.26 0.00 2.22 2.02 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 2.45 2.37 0.00 124 R 9.16 4.51 0.00 1.51 1.48 0.00 2.92 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 125 L 8.21 4.91 0.00 1.42 1.11 0.69 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.94 4.66 0.00 1.94 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 0.00 2.21 2.20 0.00 127 G 7.77 4.19 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 0.00 128 N 8.09 4.78 0.00 2.78 2.83 0.00 0.00 6.81 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 0.00 129 Y 6.56 4.60 0.00 3.24 3.24 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 0.00 130 R 7.51 4.74 0.00 1.94 2.12 0.00 2.97 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 131 N 7.80 4.34 0.00 2.72 2.97 0.00 0.00 6.63 7.95 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 0.00 132 L 7.91 4.77 0.00 1.65 1.69 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.95 4.61 0.00 2.90 3.13 0.00 0.00 6.94 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 0.00 134 N 8.02 4.55 0.00 2.78 2.95 0.00 0.00 6.92 7.85 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 0.00 135 L 8.37 4.45 0.00 1.76 1.74 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.44 4.72 0.00 1.53 1.43 0.00 1.49 0.00 0.00 1.19 0.00 0.00 2.40 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.21 7.81 137 Q 7.91 4.39 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 138 E 8.84 4.00 0.00 2.01 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 2.51 2.29 0.00 139 N 7.60 4.24 0.00 2.89 2.93 0.00 0.00 6.73 7.35 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 0.00 140 A 8.25 5.59 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 0.00 0.00 0.00 0.00 0.00 141 Y 8.67 4.59 0.00 2.85 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 0.00 142 L 8.79 5.04 0.00 1.35 0.97 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.84 5.42 0.00 0.84 0.22 0.81 -0.12 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 0.00 144 I 8.16 5.42 1.49 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.55 0.92 0.00 0.00 145 R 8.41 5.04 0.00 1.81 1.99 0.00 2.79 0.00 0.00 2.60 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 146 R 8.80 4.31 0.00 2.13 2.09 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.