NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 G 4.1142 8.3544 109.7649 45.5570 0.0000 173.5842 11 S 4.6766 8.0214 113.8147 55.3816 65.2485 171.7519 12 L 4.2066 8.8689 129.3867 58.0706 41.8916 179.0563 13 L 4.1149 8.6423 120.5009 58.2410 42.0461 179.2243 14 R 3.9433 7.9662 117.6788 59.1367 29.7842 179.1011 15 W 4.2011 8.1646 117.6550 59.8216 29.1010 177.6102 16 Y 4.4909 8.3218 118.7354 60.9514 38.5691 177.5098 17 D 4.6015 8.6823 120.1272 57.3019 40.8025 179.6167 18 V 3.7729 7.7848 115.2280 63.8675 31.2631 177.2928 *20 E 4.3663 8.1794 118.2915 55.9481 31.5804 177.9436 21 A 3.8013 8.4608 120.8091 55.1544 17.9488 179.3198 22 E 4.0573 8.5241 117.2668 59.6975 29.3795 179.8024 23 R 3.2063 7.7017 116.6868 59.2289 30.3309 177.3863 24 Y 4.3076 7.6069 113.4594 58.4539 38.3184 175.9145 25 E 4.4201 8.3191 117.7742 57.7386 31.7148 176.6575 26 Y 4.7338 7.4830 112.5695 58.7447 38.6931 175.7233 27 T 4.3141 7.2039 115.5351 62.2892 70.2591 174.7099 *29 G 3.8966 8.0378 110.9428 44.9410 0.0000 171.2973 30 P 4.2432 0.0000 0.0000 66.0073 31.1554 178.2424 31 A 4.1178 8.1381 120.2801 54.7840 18.4549 179.6627 32 G 3.6540 8.1005 103.8874 47.9555 0.0000 175.4093 33 E 4.0800 8.2976 121.7045 59.1202 29.6159 178.9275 34 Q 3.7827 7.8777 118.2835 58.6031 28.7028 178.5317 35 F 3.9931 8.1600 121.6273 61.4372 39.2575 177.3544 36 F 3.7847 7.9039 115.8810 60.3332 38.7311 177.2111 37 N 4.5534 8.5256 116.6237 55.9860 38.2715 177.5477 38 G 3.5296 7.9473 107.2965 47.8642 0.0000 175.5868 39 L 4.1132 7.4334 121.2933 57.5512 41.3731 179.8609 40 K 4.1134 7.6548 117.2480 58.6421 31.9138 178.3069 41 Q 4.3314 7.5431 116.2861 54.4324 29.4429 175.0972 42 N 3.1400 7.7163 115.7038 54.1326 36.4085 174.2363 43 K 4.5166 7.4794 114.2781 54.5127 36.2580 176.1910 44 I 4.4283 8.1867 121.7862 59.9542 39.3191 174.4673 45 I 4.7694 8.4982 128.6755 59.7880 39.4100 175.6462 46 G 4.6214 9.3241 115.2870 44.4051 0.0000 171.6769 47 S 5.3794 8.8742 113.0761 56.2489 66.5167 173.0779 48 K 4.9449 8.6847 123.4646 54.5124 34.3016 175.1497 49 C 4.4185 9.0649 129.4172 59.3620 31.8997 174.6335 50 S 4.2378 8.8891 121.1858 60.3532 63.2622 175.2936 51 K 4.1547 8.1430 121.9972 58.5426 32.3024 176.8594 52 C 4.4382 8.0680 109.8582 57.3720 30.6895 174.6538 53 G 3.9180 8.1056 108.3859 45.3082 0.0000 174.0746 54 R 3.9070 7.5450 119.0894 56.2260 31.5020 175.3790 55 I 4.7439 7.8853 122.7265 59.5411 40.0822 174.4050 56 F 5.4362 9.1794 125.4914 55.5453 42.1558 174.7569 57 V 4.7917 8.6540 121.8198 59.0770 34.3207 173.6678 58 P 4.1184 0.0000 0.0000 61.7544 32.1024 175.7630 59 A 4.4169 7.9702 123.3678 53.0369 18.6504 177.3333 60 R 4.8781 8.8752 117.3853 54.5052 32.7792 175.5356 61 S 4.5143 8.8241 113.4018 59.6130 64.5440 173.0409 62 Y 4.9594 7.6640 117.3703 56.0962 41.6239 174.5352 63 C 3.8037 8.7413 123.7466 58.9481 32.7204 173.7222 64 E 3.6932 8.0301 124.2363 56.7180 29.5833 176.1927 65 H 4.5956 7.9012 115.8962 57.4681 30.4201 175.6428 66 C 4.3401 7.9632 114.6028 60.0630 28.4954 173.5825 67 F 3.9238 7.4574 116.6780 58.8183 36.7413 175.1360 68 V 4.7078 7.4287 111.2467 59.0862 35.2211 175.7099 69 K 3.5971 8.3286 121.6525 56.4814 32.5586 176.5204 70 I 4.5253 8.2592 125.2110 59.5533 38.7518 175.5176 71 E 4.2059 8.6802 121.5385 55.3231 31.3182 174.8482 72 N 4.5717 7.5832 119.1230 52.1799 40.5167 172.6966 73 Y 5.1813 8.1932 124.2749 56.9369 39.6926 175.7023 74 V 4.5870 8.8714 116.5577 59.3522 36.1368 174.3005 75 E 4.6155 8.7228 124.7345 55.9319 30.1859 175.9977 76 I 4.0203 8.6575 128.4794 60.3141 38.7614 176.0866 77 N 4.5137 8.6353 124.2632 52.8660 37.6159 175.4865 78 K 4.2784 8.5725 125.5638 59.5626 32.7098 177.8209 79 D 4.6822 8.6033 117.7595 55.1965 40.9314 176.4518 80 E 4.6310 8.3328 117.9610 55.8356 30.0598 175.8461 81 A 3.8613 7.8965 122.2051 52.1954 19.6007 176.7451 82 Y 5.1837 8.1046 118.5936 55.1883 42.6004 174.3774 83 V 3.9681 8.6834 120.7555 62.4782 31.8658 175.9609 84 D 4.5987 8.8057 129.5067 56.9846 41.9546 176.0293 85 S 4.7783 7.7613 110.3651 58.2626 65.8971 173.8375 86 Y 5.1422 7.8083 116.2867 56.5696 40.4269 173.5523 87 T 4.6116 8.8392 118.0995 61.9237 71.5345 173.1908 88 I 4.3803 8.3274 126.6195 60.0179 38.8077 174.9589 89 I 4.3508 8.4304 127.8384 60.0317 38.9057 175.8048 90 Y 4.5049 8.7595 123.1040 58.0193 40.0802 175.2684 91 N 5.4286 8.1374 115.4228 51.0534 42.1974 173.8148 92 D 4.7209 8.8796 121.5384 52.7323 40.8164 176.5270 93 D 4.6897 8.4619 116.9134 55.3222 40.8816 177.0741 94 E 4.2617 8.2898 118.0528 56.1774 29.8117 177.1216 95 G 3.9849 8.2766 107.8232 45.2490 0.0000 173.8366 96 N 4.6193 8.4577 118.1056 52.3032 39.3333 174.9405 97 K 4.6352 8.3857 121.3957 56.4145 32.8291 176.9884 98 L 4.2545 8.8659 123.7416 54.1422 42.3522 177.4347 99 A 4.0086 8.6656 125.6611 54.2773 18.5641 177.0268 100 Q 4.4192 7.6700 115.9721 53.2820 30.1002 172.9577 101 P 4.3832 0.0000 0.0000 62.8293 32.3382 176.0239 102 V 4.3196 8.2147 122.0556 61.4804 34.2973 173.9630 103 Y 5.0161 8.4955 123.4633 56.2880 40.9499 174.3900 104 I 4.4824 8.4151 125.3528 59.6803 38.8044 174.7404 105 A 5.1410 8.9063 129.0718 49.8771 22.7764 174.4018 106 L 4.9092 8.5978 122.4172 53.4431 43.8803 175.3035 107 I 4.4866 8.6128 121.0577 59.6131 39.9859 174.9630 108 R 4.7491 7.7078 122.5296 54.3137 34.8860 173.9158 109 F 5.1306 8.3241 116.7037 54.9886 43.3690 173.2615 110 P 4.4493 0.0000 0.0000 64.3941 31.5818 176.0697 111 N 4.3685 9.1155 118.1709 53.7963 35.9051 173.6590 112 I 4.5674 7.4559 118.3835 59.2798 40.0228 175.5774 113 E 4.0496 8.7917 125.4733 57.2459 30.0411 177.9710 114 G 4.1512 9.7078 108.9021 46.7555 0.0000 171.5769 115 G 4.1304 7.8110 104.1539 45.8951 0.0000 172.6376 116 L 5.0630 8.6238 119.9779 52.5643 44.3166 176.7149 117 L 4.6765 8.7546 124.3660 55.0577 42.5975 175.8964 118 C 4.3673 8.6509 116.8734 57.3642 33.7160 172.2351 119 Y 4.8275 8.4696 117.2643 57.4017 38.8481 174.8185 120 A 5.3232 8.8311 125.1230 50.0601 22.0950 175.0461 121 E 4.4883 9.2264 118.3323 54.8970 33.3998 174.5802 122 G 3.9375 8.8212 104.1621 44.8481 0.0000 175.6964 123 N 4.4604 7.9507 113.9023 51.7708 37.0464 174.1793 124 V 3.3403 6.7572 118.1305 62.1850 32.4543 175.3054 125 K 4.7624 7.9062 125.2557 54.5641 36.1787 176.1564 126 V 4.1123 8.4606 115.4733 62.9026 31.9956 177.1060 127 G 3.9532 9.6701 112.3571 45.3598 0.0000 173.9120 128 A 4.2103 7.6726 122.2187 51.2994 19.5890 177.0804 129 K 4.4626 8.7101 122.4748 56.6418 33.1034 175.8024 130 A 4.8414 8.6792 128.4844 49.9637 21.4558 175.1201 131 K 4.4685 8.8629 124.5121 54.6840 34.4309 175.3530 132 I 4.1067 8.2897 128.4945 61.3338 37.0210 175.6801 133 L 4.3150 8.8570 128.3260 56.3581 43.0259 177.4987 134 S 4.6886 7.6026 112.9417 56.5735 65.2056 174.5542 135 F 4.4626 9.2060 124.4471 57.5763 39.7662 175.7379 136 Q 4.2902 7.8050 123.0880 55.4110 29.5043 174.7463 137 W 4.6088 8.8147 134.8741 56.1622 31.6952 174.0060 138 P 3.2506 0.0000 0.0000 61.8066 31.7182 176.3569 139 L 4.5423 7.3114 121.7588 54.4051 43.2804 176.0248 140 R 5.2085 8.2074 118.5027 54.6775 33.9541 175.0464 141 V 4.8677 8.9327 115.9334 59.3496 36.2678 174.2813 142 K 4.8820 8.8355 123.5884 54.6043 35.3789 174.8647 143 V 4.6237 8.7278 126.7478 61.0552 33.9822 175.3271 144 D 4.4697 8.6283 126.6647 54.6443 40.8342 176.2503 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 10 G 8.35 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 11 S 8.02 4.68 0.00 4.01 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.87 4.21 0.00 2.04 1.79 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.64 4.11 0.00 1.90 1.73 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.97 3.94 0.00 1.81 1.83 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 15 W 8.16 4.20 0.00 3.52 3.26 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 16 Y 8.32 4.49 0.00 3.21 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.68 4.60 0.00 2.96 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 18 V 7.78 3.77 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 1.29 0.00 0.00 0.75 0.00 0.00 *20 E 8.18 4.37 0.00 2.13 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 1.73 1.80 0.00 21 A 8.46 3.80 1.08 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 0.00 0.00 22 E 8.52 4.06 0.00 2.37 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 0.00 2.81 2.84 0.00 23 R 7.70 3.21 0.00 0.68 1.31 0.00 2.43 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 24 Y 7.61 4.31 0.00 2.89 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 25 E 8.32 4.42 0.00 1.31 1.65 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 2.13 2.10 0.00 26 Y 7.48 4.73 0.00 2.99 2.90 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 0.00 0.00 0.00 27 T 7.20 4.31 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 1.32 0.00 0.00 *29 G 8.04 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.24 0.00 2.37 2.37 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 31 A 8.14 4.12 1.55 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 0.00 0.00 32 G 8.10 3.65 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 0.00 0.00 0.00 33 E 8.30 4.08 0.00 2.29 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 2.30 2.22 0.00 34 Q 7.88 3.78 0.00 1.78 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.06 1.16 0.00 35 F 8.16 3.99 0.00 2.97 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 36 F 7.90 3.78 0.00 3.04 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 37 N 8.53 4.55 0.00 2.69 2.81 0.00 0.00 6.82 7.53 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 38 G 7.95 3.53 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 0.00 0.00 0.00 39 L 7.43 4.11 0.00 1.84 2.00 0.85 0.68 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 40 K 7.65 4.11 0.00 2.10 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.35 7.81 41 Q 7.54 4.33 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 42 N 7.72 3.14 0.00 2.43 1.91 0.00 0.00 6.65 7.43 0.00 0.00 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 K 7.48 4.52 0.00 1.71 1.58 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.46 7.81 44 I 8.19 4.43 1.78 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.21 0.92 0.00 0.00 45 I 8.50 4.77 1.91 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 1.20 1.46 1.01 0.00 0.00 46 G 9.32 4.62 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 0.00 0.00 0.00 47 S 8.87 5.38 0.00 3.84 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 0.00 48 K 8.68 4.94 0.00 1.70 1.66 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.29 7.81 49 C 9.06 4.42 0.00 3.24 2.87 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 0.00 0.00 0.00 50 S 8.89 4.24 0.00 3.99 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 51 K 8.14 4.15 0.00 1.74 1.87 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.43 7.81 52 C 8.07 4.44 0.00 3.09 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 53 G 8.11 3.92 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 0.00 0.00 0.00 54 R 7.54 3.91 0.00 1.56 1.11 0.00 2.96 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 55 I 7.89 4.74 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.86 0.00 0.00 56 F 9.18 5.44 0.00 2.94 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 57 V 8.65 4.79 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 1.00 0.00 0.00 0.95 0.00 0.00 58 P 0.00 4.12 0.00 1.38 0.49 0.00 3.55 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 1.56 1.31 0.00 59 A 7.97 4.42 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 0.00 0.00 0.00 0.00 0.00 60 R 8.88 4.88 0.00 1.70 1.81 0.00 2.60 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.34 0.00 61 S 8.82 4.51 0.00 3.90 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 0.00 62 Y 7.66 4.96 0.00 2.74 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 63 C 8.74 3.80 0.00 3.02 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 64 E 8.03 3.69 0.00 1.73 1.73 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 2.06 1.93 0.00 65 H 7.90 4.60 0.00 3.15 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.96 4.34 0.00 2.98 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 67 F 7.46 3.92 0.00 3.30 3.20 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 68 V 7.43 4.71 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 0.84 0.00 0.00 0.93 0.00 0.00 69 K 8.33 3.60 0.00 1.66 1.41 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 1.04 7.81 70 I 8.26 4.53 1.90 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 1.24 0.44 0.85 0.00 0.00 71 E 8.68 4.21 0.00 1.90 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 2.03 2.11 0.00 72 N 7.58 4.57 0.00 2.73 2.77 0.00 0.00 7.16 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 73 Y 8.19 5.18 0.00 2.98 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 74 V 8.87 4.59 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 0.95 0.00 0.00 75 E 8.72 4.62 0.00 1.96 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 2.24 2.30 0.00 76 I 8.66 4.02 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.55 -0.12 0.00 0.00 77 N 8.64 4.51 0.00 2.74 2.81 0.00 0.00 6.85 6.66 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 78 K 8.57 4.28 0.00 2.14 2.13 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.61 7.81 79 D 8.60 4.68 0.00 2.88 2.80 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 80 E 8.33 4.63 0.00 2.30 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 0.00 2.33 2.32 0.00 81 A 7.90 3.86 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 82 Y 8.10 5.18 0.00 2.99 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 83 V 8.68 3.97 2.26 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 0.99 0.00 0.00 0.80 0.00 0.00 84 D 8.81 4.60 0.00 2.54 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 85 S 7.76 4.78 0.00 3.82 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 86 Y 7.81 5.14 0.00 3.09 2.90 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 0.00 0.00 0.00 87 T 8.84 4.61 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 1.25 0.00 0.00 88 I 8.33 4.38 1.46 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 -0.27 0.00 0.00 89 I 8.43 4.35 1.78 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 1.32 0.58 1.05 0.00 0.00 90 Y 8.76 4.50 0.00 2.90 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 91 N 8.14 5.43 0.00 2.73 2.72 0.00 0.00 6.96 8.06 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 92 D 8.88 4.72 0.00 2.86 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 93 D 8.46 4.69 0.00 2.71 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 94 E 8.29 4.26 0.00 2.09 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 2.27 2.30 0.00 95 G 8.28 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 96 N 8.46 4.62 0.00 3.09 2.75 0.00 0.00 6.97 8.54 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 97 K 8.39 4.64 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.41 7.81 98 L 8.87 4.25 0.00 1.67 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.67 4.01 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 0.00 100 Q 7.67 4.42 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 101 P 0.00 4.38 0.00 1.60 1.58 0.00 3.69 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 2.08 2.17 0.00 102 V 8.21 4.32 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 0.87 0.00 0.00 0.88 0.00 0.00 103 Y 8.50 5.02 0.00 3.05 2.70 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 0.00 104 I 8.42 4.48 0.99 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.27 -0.10 0.00 0.00 105 A 8.91 5.14 1.10 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 0.00 106 L 8.60 4.91 0.00 1.73 1.49 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.61 4.49 1.52 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.72 0.00 0.00 108 R 7.71 4.75 0.00 0.73 1.56 0.00 3.05 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 109 F 8.32 5.13 0.00 3.00 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 0.00 110 P 0.00 4.45 0.00 2.12 2.05 0.00 4.02 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 111 N 9.12 4.37 0.00 2.90 2.94 0.00 0.00 6.84 7.45 0.00 0.00 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 I 7.46 4.57 2.13 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 1.60 0.91 0.96 0.00 0.00 113 E 8.79 4.05 0.00 1.89 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 1.91 2.00 0.00 114 G 9.71 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 0.00 115 G 7.81 4.13 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 0.00 0.00 0.00 116 L 8.62 5.06 0.00 1.62 1.70 1.30 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.75 4.68 0.00 1.58 1.49 1.23 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 118 C 8.65 4.37 0.00 2.91 2.78 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 0.00 119 Y 8.47 4.83 0.00 2.93 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 0.00 120 A 8.83 5.32 0.99 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 0.00 0.00 121 E 9.23 4.49 0.00 1.97 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 2.32 2.18 0.00 122 G 8.82 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 0.00 123 N 7.95 4.46 0.00 2.65 2.72 0.00 0.00 6.85 7.24 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 0.00 124 V 6.76 3.34 0.67 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 -0.25 0.00 0.00 -0.03 0.00 0.00 125 K 7.91 4.76 0.00 1.73 1.65 0.00 1.81 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 126 V 8.46 4.11 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 0.82 0.00 0.00 0.99 0.00 0.00 127 G 9.67 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 0.00 128 A 7.67 4.21 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 0.00 129 K 8.71 4.46 0.00 2.05 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.42 1.02 7.81 130 A 8.68 4.84 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 0.00 131 K 8.86 4.47 0.00 1.90 1.64 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.27 7.81 132 I 8.29 4.11 1.59 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 -0.05 0.00 0.00 133 L 8.86 4.32 0.00 1.54 1.69 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.60 4.69 0.00 3.85 3.62 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 0.00 135 F 9.21 4.46 0.00 3.10 3.26 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 0.00 136 Q 7.81 4.29 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 137 W 8.81 4.61 0.00 3.72 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 0.00 138 P 0.00 3.25 0.00 2.18 1.60 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.08 0.00 139 L 7.31 4.54 0.00 1.37 1.43 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.21 5.21 0.00 1.78 1.75 0.00 3.02 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 141 V 8.93 4.87 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 0.56 0.00 0.00 0.85 0.00 0.00 142 K 8.84 4.88 0.00 1.73 1.56 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.27 7.81 143 V 8.73 4.62 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 0.84 0.00 0.00 0.75 0.00 0.00 144 D 8.63 4.47 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 * Residues marked with a * may have inaccurate shift predictions.