NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6060 8.4293 117.3744 54.2812 30.5701 172.5683 *2 I 4.1284 7.2419 112.4347 61.7800 39.3824 174.3500 3 V 4.8088 8.6162 123.3609 61.2094 34.0404 173.6988 4 E 5.0261 9.3952 129.4975 54.6658 31.2626 174.3955 5 E 4.6891 8.9991 128.7019 54.9155 31.5179 174.4398 6 R 5.1026 9.0181 127.1843 54.6099 32.8779 175.5289 7 I 4.9631 9.0615 124.2543 59.9353 40.6221 173.9948 8 Y 5.4931 9.1334 125.3560 56.2104 41.4072 174.7344 9 R 4.9723 9.2063 123.3427 54.9190 32.2234 174.8231 10 I 4.7557 8.6049 130.1559 60.0594 39.1407 176.5925 11 R 3.9775 8.8175 126.8582 56.9623 30.4534 174.9103 12 G 3.8373 8.7026 111.8142 46.9491 0.0000 173.8913 13 G 3.9650 9.1067 112.3944 45.4333 0.0000 174.1435 14 K 4.3885 7.6256 120.3832 54.6892 31.4458 176.3872 *16 Q 4.2946 7.8875 120.8489 55.7764 31.4369 177.6695 17 E 3.9852 8.1650 117.6673 59.3325 29.8003 177.9976 18 Y 4.0675 8.4426 119.9391 60.7810 38.8324 178.1320 19 L 4.0816 8.0936 119.4554 57.2483 41.8763 179.0001 20 K 3.8690 8.1826 119.7074 59.5025 32.1715 178.5701 21 L 4.0317 7.8789 119.0787 58.0439 41.5376 179.8938 22 V 3.5318 7.5308 117.5672 65.8764 31.2314 177.8955 23 R 3.7376 8.2988 117.6003 59.2321 30.0416 177.6001 24 E 4.4181 7.9068 115.4418 56.8104 29.9809 176.2708 25 E 4.4331 7.7450 116.7668 56.8241 33.6446 177.3130 26 G 2.5257 7.8272 105.3041 47.6072 0.0000 175.6942 27 I 3.9727 7.9817 121.7519 63.0543 37.7110 177.5948 28 A 4.0967 7.7900 120.4466 54.4321 18.3530 179.2694 29 I 3.8681 7.1861 118.4895 64.3949 37.4782 178.1340 30 Q 3.3793 8.3819 120.3498 59.1323 28.8761 178.2733 31 A 4.3529 8.1248 121.7499 54.7670 18.2085 177.7977 32 P 4.1948 0.0000 0.0000 65.7546 31.4797 178.5620 33 I 3.8866 7.0110 117.9992 64.1541 37.1581 178.0439 34 L 4.1908 7.7432 118.9443 55.6784 41.5605 176.7713 35 G 4.2282 9.6739 106.1248 45.5758 0.0000 173.6030 36 N 4.8485 7.5184 116.6911 51.6102 39.2803 171.3859 37 L 3.4265 7.7980 121.0924 54.4603 42.8982 176.5691 38 I 3.8308 7.9587 127.6479 63.4222 37.8523 176.4792 39 G 3.5749 6.7153 105.1952 44.8148 0.0000 171.3034 40 Y 4.5554 7.3560 121.4350 55.6044 41.5257 174.2765 41 F 5.1386 9.5025 124.8498 55.7219 43.7472 173.8239 42 V 4.9890 8.4824 120.4736 61.4392 33.7618 175.1085 43 T 4.1707 8.6704 124.8750 63.5932 68.3773 174.0592 44 D 4.6795 8.8957 125.1400 55.0064 42.6221 176.5668 45 I 4.5934 7.9012 118.3040 59.5855 41.2462 173.4639 46 G 3.8669 8.8263 110.6968 43.7006 0.0000 171.3458 47 P 4.3123 0.0000 0.0000 62.5380 31.8547 176.1857 48 L 4.4471 8.3194 122.9876 53.7753 43.6750 175.4117 49 S 3.6854 8.4563 110.7293 59.9074 60.7813 171.0420 50 Q 5.1106 7.8971 118.9743 54.2685 32.0492 174.3028 51 V 5.0110 8.4647 119.3723 59.8032 34.9352 174.8568 52 I 5.0723 8.6562 124.0123 60.0176 40.9497 174.3669 53 H 5.4447 8.3660 121.7842 52.3412 32.4611 171.8564 *55 W 4.7606 8.4404 116.2264 56.8275 30.5142 174.8313 56 G 4.3296 8.9547 111.9085 45.1355 0.0000 172.6645 57 Y 5.0633 8.7274 120.7553 55.9312 41.5226 175.8054 58 A 4.1617 9.0464 124.9125 55.2165 19.0664 178.2014 59 S 4.6105 7.4595 108.3704 56.7448 66.6558 175.9262 60 L 3.9871 8.2582 121.7031 57.4835 41.2823 179.4640 61 D 4.2598 7.9680 118.7876 57.3822 40.8897 177.9274 62 D 4.2760 7.9078 118.0453 57.2243 41.1548 178.2869 63 R 3.0189 7.7602 118.9635 58.9303 29.9680 178.2048 64 A 3.8208 7.9361 120.7193 55.1711 18.4074 179.0663 65 E 3.8280 8.2554 117.8687 59.7071 29.7148 179.3805 66 R 3.9376 7.9936 117.9099 59.2653 30.1817 179.2882 67 R 3.9312 8.4767 118.4135 58.6767 29.9212 179.3972 68 G 3.5584 8.0477 105.8701 47.7832 0.0000 175.8663 69 K 3.9389 7.7497 120.1042 58.8280 32.3392 178.9401 70 L 3.8268 7.8896 120.2027 58.1602 41.8094 178.6900 71 A 4.3201 7.8764 121.6530 55.7806 18.3607 179.1658 72 E 4.3786 7.9287 113.5248 57.3965 30.6499 178.3360 73 D 4.8387 7.8085 120.1872 54.5975 42.4370 177.1962 74 Q 4.0763 8.8038 125.1301 59.4005 28.6212 178.8756 75 R 3.9708 8.0095 119.5474 58.7408 30.2212 178.4856 76 W 4.5207 8.4495 127.7797 60.9080 30.5070 177.8639 77 Q 4.0373 8.2938 116.4043 59.0942 28.2158 178.6721 78 A 4.1067 7.8830 120.3095 54.2010 18.7954 179.0273 79 F 4.2494 7.6023 119.4118 60.9310 39.8594 177.5142 80 I 2.9116 7.4162 118.5328 63.4590 37.3975 175.9162 81 P 4.1841 0.0000 0.0000 65.6069 30.9312 178.7601 82 R 3.8075 7.2905 115.5628 58.6249 30.0712 178.5204 83 L 3.9386 6.9530 119.8952 57.9630 42.1674 178.6908 84 S 4.0869 8.3388 115.7438 61.6139 62.5475 177.0296 85 V 3.6126 7.3330 120.6710 64.2345 31.1301 177.4347 86 L 4.4765 8.1607 118.4667 53.9131 41.7608 175.6922 87 I 4.5740 7.2266 121.2160 59.9548 38.2662 175.0504 88 E 4.3586 9.3670 127.9155 58.6234 30.3036 176.2174 89 S 4.8158 7.7295 111.7325 57.5872 66.4505 173.0596 90 S 5.3398 8.3419 114.0139 57.4729 65.8492 172.6712 91 E 4.9782 9.2436 118.1686 55.8066 33.1922 173.1628 92 N 6.1018 8.7359 117.0516 51.9356 41.0457 173.0902 93 R 4.6812 8.3541 113.1667 55.4361 32.7544 173.5226 94 I 4.9453 8.3243 121.2300 59.8852 38.8949 174.9426 95 L 4.7591 9.3778 127.4556 52.8839 44.4571 175.4097 96 L 4.8469 8.3026 123.0535 52.1609 43.1944 174.8251 97 P 4.1897 0.0000 0.0000 62.4823 32.1378 176.6998 98 T 3.9647 7.9087 112.6067 61.0001 69.3636 174.6808 99 D 4.5421 8.2872 120.2748 54.5716 39.5751 176.6529 100 F 4.8427 6.8008 114.2484 56.4966 38.2526 175.0652 101 S 4.2978 7.3741 116.8863 57.4229 62.5489 172.4268 102 P 4.2690 0.0000 0.0000 64.8393 31.3546 176.1487 103 L 4.3511 7.5135 120.0712 54.0904 42.4186 175.9752 104 R 4.0902 8.3021 125.4316 57.2098 30.0312 173.7205 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 *0 H 8.43 4.61 0.00 2.95 3.04 0.00 7.20 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 *2 I 7.24 4.13 1.93 0.00 0.00 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 1.29 0.56 0.94 0.00 0.00 3 V 8.62 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 4 E 9.40 5.03 0.00 2.22 2.18 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 2.39 2.34 0.00 5 E 9.00 4.69 0.00 2.11 1.82 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 2.22 2.26 0.00 6 R 9.02 5.10 0.00 1.44 1.67 0.00 3.33 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 7 I 9.06 4.96 1.93 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 1.22 0.99 0.95 0.00 0.00 8 Y 9.13 5.49 0.00 2.75 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 9 R 9.21 4.97 0.00 1.85 1.79 0.00 3.07 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 10 I 8.60 4.76 1.82 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.65 0.89 0.00 0.00 11 R 8.82 3.98 0.00 1.49 1.83 0.00 3.29 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 12 G 8.70 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 0.00 0.00 0.00 13 G 9.11 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 14 K 7.63 4.39 0.00 1.96 1.81 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.54 7.81 *16 Q 7.89 4.29 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 17 E 8.17 3.99 0.00 2.07 2.18 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 2.40 2.38 0.00 18 Y 8.44 4.07 0.00 3.11 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 19 L 8.09 4.08 0.00 1.80 1.72 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.18 3.87 0.00 2.01 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 21 L 7.88 4.03 0.00 1.86 1.87 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.53 3.53 1.82 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 0.75 0.00 0.00 0.62 0.00 0.00 23 R 8.30 3.74 0.00 1.78 2.11 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 24 E 7.91 4.42 0.00 2.10 1.97 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 2.26 2.35 0.00 25 E 7.75 4.43 0.00 1.95 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 2.22 2.30 0.00 26 G 7.83 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 0.00 0.00 0.00 27 I 7.98 3.97 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.87 0.00 0.00 28 A 7.79 4.10 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 29 I 7.19 3.87 2.15 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 1.45 0.90 1.10 0.00 0.00 30 Q 8.38 3.38 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 31 A 8.12 4.35 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.19 0.00 2.01 2.12 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 33 I 7.01 3.89 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.78 0.00 0.00 34 L 7.74 4.19 0.00 1.36 1.49 -0.42 0.57 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 35 G 9.67 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 0.00 0.00 0.00 0.00 36 N 7.52 4.85 0.00 2.69 2.75 0.00 0.00 6.87 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 37 L 7.80 3.43 0.00 1.08 1.34 -0.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.96 3.83 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.89 0.00 0.00 39 G 6.72 3.57 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 0.00 0.00 0.00 40 Y 7.36 4.56 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.50 5.14 0.00 2.87 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 42 V 8.48 4.99 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 0.92 0.00 0.00 1.05 0.00 0.00 43 T 8.67 4.17 4.36 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 1.29 0.00 0.00 44 D 8.90 4.68 0.00 2.63 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 45 I 7.90 4.59 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 1.35 0.78 0.91 0.00 0.00 46 G 8.83 3.87 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 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.18 2.01 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 48 L 8.32 4.45 0.00 1.63 1.61 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.46 3.69 0.00 4.00 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 50 Q 7.90 5.11 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 51 V 8.46 5.01 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 0.74 0.00 0.00 0.80 0.00 0.00 52 I 8.66 5.07 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 1.27 0.68 0.96 0.00 0.00 53 H 8.37 5.44 0.00 2.53 1.87 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 W 8.44 4.76 0.00 3.41 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 56 G 8.95 4.33 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 0.00 57 Y 8.73 5.06 0.00 2.89 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 58 A 9.05 4.16 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 59 S 7.46 4.61 0.00 4.01 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 60 L 8.26 3.99 0.00 1.68 1.69 0.91 0.96 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 61 D 7.97 4.26 0.00 2.74 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 62 D 7.91 4.28 0.00 2.82 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 63 R 7.76 3.02 0.00 0.85 1.66 0.00 3.11 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 64 A 7.94 3.82 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 65 E 8.26 3.83 0.00 2.00 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 2.28 2.34 0.00 66 R 7.99 3.94 0.00 1.98 2.12 0.00 3.66 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 67 R 8.48 3.93 0.00 1.75 1.87 0.00 2.98 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 68 G 8.05 3.56 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 0.00 0.00 0.00 69 K 7.75 3.94 0.00 2.14 1.85 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.32 7.81 70 L 7.89 3.83 0.00 1.51 1.52 -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.88 4.32 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.93 4.38 0.00 2.10 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 2.22 2.17 0.00 73 D 7.81 4.84 0.00 2.95 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 74 Q 8.80 4.08 0.00 2.45 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.02 0.00 75 R 8.01 3.97 0.00 2.20 2.11 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 76 W 8.45 4.52 0.00 3.41 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 77 Q 8.29 4.04 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.72 0.00 78 A 7.88 4.11 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 79 F 7.60 4.25 0.00 3.15 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 80 I 7.42 2.91 0.60 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.47 0.66 0.00 0.00 81 P 0.00 4.18 0.00 2.06 1.98 0.00 3.58 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 2.04 2.06 0.00 82 R 7.29 3.81 0.00 1.62 1.77 0.00 3.07 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 83 L 6.95 3.94 0.00 0.93 1.32 0.50 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.34 4.09 0.00 3.89 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 85 V 7.33 3.61 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 0.74 0.00 0.00 0.90 0.00 0.00 86 L 8.16 4.48 0.00 1.95 1.84 1.01 0.81 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 87 I 7.23 4.57 1.79 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 1.31 0.81 0.68 0.00 0.00 88 E 9.37 4.36 0.00 2.18 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 0.00 2.29 2.12 0.00 89 S 7.73 4.82 0.00 3.89 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 90 S 8.34 5.34 0.00 3.74 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 91 E 9.24 4.98 0.00 2.08 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 2.44 2.31 0.00 92 N 8.74 6.10 0.00 2.84 2.90 0.00 0.00 6.21 7.66 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 93 R 8.35 4.68 0.00 1.89 2.04 0.00 2.95 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 94 I 8.32 4.95 1.89 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 1.36 0.90 0.94 0.00 0.00 95 L 9.38 4.76 0.00 1.54 1.54 0.95 0.58 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 96 L 8.30 4.85 0.00 1.48 1.57 0.92 1.07 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 97 P 0.00 4.19 0.00 1.97 2.12 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 98 T 7.91 3.96 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 0.88 0.00 0.00 99 D 8.29 4.54 0.00 2.83 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 0.00 100 F 6.80 4.84 0.00 3.07 3.15 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 0.00 101 S 7.37 4.30 0.00 3.68 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 0.00 102 P 0.00 4.27 0.00 2.09 2.11 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 103 L 7.51 4.35 0.00 1.57 1.56 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.30 4.09 0.00 1.81 1.68 0.00 3.31 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.