NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3724 0.0000 0.0000 63.4969 32.3989 175.5977 3 S 5.6573 7.8443 116.6122 59.7363 63.3992 174.8685 4 I 4.4763 7.4071 126.9999 59.0219 41.6678 173.6830 5 K 4.7754 8.4945 125.7669 55.1433 34.1609 174.9108 6 L 4.9847 8.3310 125.8738 54.7854 42.9305 175.7805 7 Q 4.9941 9.5848 123.8175 54.0734 31.5917 174.8810 8 S 4.8256 8.9116 122.3769 58.0099 63.9668 175.5985 9 S 4.1945 8.6541 115.4198 61.0260 62.5036 175.2624 10 D 4.5515 7.6941 119.0387 54.3757 41.4333 176.2131 11 G 4.2701 8.5119 109.3894 45.9169 0.0000 174.2787 12 E 3.6519 8.1888 120.1612 56.7615 29.6851 175.5175 13 I 4.4242 8.0258 126.9455 59.8077 37.4476 174.7638 14 F 4.4077 8.8877 126.8432 56.8664 40.3875 174.2941 15 E 4.9683 8.8734 124.0632 54.7076 30.9519 175.3187 16 V 4.6407 8.4523 119.2629 59.1844 36.3563 174.9914 17 D 4.4274 8.9819 123.6458 54.5032 41.4419 177.0123 18 V 3.8683 7.9740 121.4381 63.1335 32.1456 175.2446 19 E 4.3484 9.0495 120.5683 56.8243 27.5097 176.8511 20 I 3.8660 7.1575 117.1332 64.2772 37.6287 177.4482 21 A 4.1413 8.1160 122.7042 55.2388 18.4152 179.4367 22 K 3.8898 8.2738 112.9535 58.4243 32.3801 177.6007 23 Q 4.1179 7.8358 116.1237 57.7111 29.4498 176.4477 24 S 4.6839 8.7751 116.5835 57.5654 62.9646 174.9129 25 V 3.7968 8.2136 123.8084 63.9276 30.8788 178.9107 26 T 3.7726 7.6426 115.7473 66.6608 68.2658 176.6410 27 I 3.6870 8.8747 122.5963 64.5338 37.0510 177.7247 28 K 3.5870 8.4140 119.9594 60.5716 31.7746 178.1824 29 T 4.0548 8.5427 115.4776 67.2077 68.5589 175.8682 30 M 4.3709 7.8002 117.3174 56.3479 31.6065 176.6481 31 L 4.5509 6.9598 116.2227 55.3649 44.0690 177.7016 32 E 4.0562 8.4418 118.5341 58.6914 29.7885 176.6852 33 D 4.6786 8.3996 115.4111 55.5651 42.9568 175.6595 34 L 4.4507 7.7104 118.7001 53.7095 43.0413 177.4790 35 G 3.7877 8.3421 113.5748 45.5853 0.0000 174.3179 36 M 4.3232 7.6903 119.0951 54.7942 33.9546 176.1306 37 D 4.6231 8.7154 118.5137 55.2092 40.3683 178.9129 38 P 4.5258 0.0000 0.0000 63.5118 32.2861 175.3745 39 V 4.0979 8.5921 124.0217 61.2465 32.2378 173.3863 40 P 4.9322 0.0000 0.0000 61.5615 31.8468 177.3777 41 L 4.5567 8.3105 130.1759 52.3644 40.1198 176.3109 42 P 4.3847 0.0000 0.0000 64.7539 31.9448 177.2920 43 N 4.4041 7.6948 113.2188 52.7580 39.4922 174.9149 44 V 4.1122 7.2506 112.9177 60.3510 33.3287 174.2766 45 N 4.0181 7.6299 122.5982 49.3537 41.7773 175.0227 46 A 4.1878 9.1129 126.1304 55.3974 18.1553 179.7682 47 A 3.9930 8.3234 118.7601 55.8525 18.4461 179.6599 48 I 3.6327 7.7532 117.1427 64.3434 37.1416 177.9536 49 L 3.7328 8.1230 121.2034 58.7407 41.7694 178.7131 50 K 3.6675 7.3899 118.1537 59.8878 32.0235 177.9472 51 K 4.2966 7.8929 120.0519 59.5451 32.4433 178.9354 52 V 4.0929 7.6781 112.1146 63.9830 31.7401 178.4633 53 I 3.9329 7.9965 119.8256 64.1416 36.6442 177.3471 54 Q 4.4418 8.4352 117.8882 56.1686 28.7191 175.2891 55 W 4.4706 7.8110 127.7304 59.3885 32.6422 177.0611 56 C 4.4005 9.0235 114.1627 62.0564 27.9343 175.3197 57 T 3.9296 8.1236 111.1648 64.9618 68.6220 176.2525 58 H 3.6732 7.3289 118.7466 56.4074 29.4751 173.6707 59 H 4.4176 7.8123 114.5448 54.3896 32.5805 173.8315 *64 I 4.0086 7.9258 119.7107 61.2075 36.9046 173.6918 65 P 4.7146 0.0000 0.0000 62.0926 32.4798 176.7018 66 V 4.0886 7.6507 111.2571 63.0867 31.9749 178.1623 67 W 4.2230 8.1478 128.3702 60.6993 30.8073 177.8970 68 D 4.5765 8.3388 118.0783 56.5707 40.3194 177.9999 69 Q 4.0363 7.8188 119.7484 58.8187 29.3595 177.5824 70 E 4.2389 7.9067 117.4027 58.3262 30.2880 177.7811 71 F 3.9457 7.3754 120.4106 60.3115 39.3110 176.0778 72 L 4.4553 7.4994 115.3281 53.5395 43.4043 177.9154 73 K 4.3094 7.3908 120.0798 55.4251 29.9144 175.9612 74 V 4.4711 7.0578 119.8661 60.3264 35.4715 174.1855 75 D 4.4171 8.9144 122.7419 54.1223 39.3927 178.3335 76 Q 3.4138 7.5017 118.8389 57.8730 29.9414 179.1687 77 G 3.8920 7.9884 109.9260 47.7977 0.0000 173.4413 78 T 4.4660 8.7573 109.8245 61.6769 70.6983 175.6341 79 L 3.8759 7.8023 123.6666 58.2042 42.0263 178.2647 80 F 3.7398 9.2710 119.4441 61.4286 39.3457 177.4108 81 E 3.9157 8.3673 118.4313 59.6931 29.7701 179.5782 82 L 4.0495 7.9386 118.5541 57.9754 41.7875 179.2881 83 I 3.7650 7.4906 120.0419 62.9803 37.3339 174.9893 84 L 4.5163 8.2738 121.2163 54.5123 40.5877 176.2774 85 A 5.3839 8.1816 135.0000 54.2240 17.4473 178.8055 86 A 4.0921 8.0844 119.7142 55.4070 18.5802 179.3691 87 N 4.2194 7.8339 112.9858 56.8234 39.5631 175.8232 88 Y 4.1628 8.0329 118.6869 60.6275 39.1968 176.7603 89 L 4.0295 9.2190 117.9542 55.3836 41.5234 176.9976 90 D 4.3718 7.1204 114.2150 55.5705 39.0987 172.0792 91 I 4.5177 7.7038 125.6188 58.2786 37.1165 176.9919 92 K 4.2013 8.0528 122.5760 59.7286 32.5642 177.3429 93 G 3.9028 8.4187 104.6682 48.5955 0.0000 174.4856 94 L 3.3808 7.3096 121.3805 57.2706 41.8632 179.3868 95 L 3.9388 7.8946 119.9632 57.7923 41.9441 178.6587 96 D 4.3774 8.5597 119.4644 57.5415 40.8269 179.1833 97 V 3.9812 7.8258 112.4087 64.2809 31.5710 178.3019 98 T 4.0931 7.8906 108.9067 63.8898 68.8027 176.8374 99 C 4.1914 7.8459 120.2415 63.0030 28.4668 176.0442 100 K 4.1283 8.5136 120.3835 59.8594 31.3934 179.0266 101 T 3.8683 7.4562 114.8108 66.8127 68.6637 176.6767 102 V 3.8512 7.5272 118.4343 65.9048 31.3328 177.8458 103 A 3.9808 8.4717 121.0105 55.3557 18.1577 179.2076 104 N 4.1078 8.3967 114.0877 56.4549 38.7755 176.4175 105 M 4.3819 7.6638 117.3037 55.5880 32.5691 176.5137 106 I 4.3741 8.1835 119.8930 62.4682 38.9574 176.3013 107 K 3.7734 7.9999 119.3374 57.4863 32.5073 172.3837 108 G 4.0177 7.7026 118.5188 45.9887 0.0000 173.0886 109 K 4.5731 7.9328 122.9375 53.2381 34.6440 172.3155 110 T 3.3012 8.6462 115.6201 60.8896 69.8901 171.0831 111 P 4.3203 0.0000 0.0000 65.8066 31.2658 178.3660 112 E 4.0848 8.1333 116.8548 59.2604 29.5629 178.8756 113 E 3.9977 7.9639 118.8128 59.2263 29.4981 179.4272 114 I 3.7468 7.9313 119.9033 64.9971 37.2390 177.8849 115 R 3.9293 8.0554 117.8408 59.4953 29.6439 178.8521 116 K 3.9596 8.1405 119.2360 60.2146 32.3561 179.1474 117 T 3.7964 7.6146 114.7948 66.0829 68.4726 176.0627 118 F 4.7561 7.7536 115.4502 55.0674 39.7263 176.2586 119 N 4.2828 9.1109 121.6008 52.6515 36.9420 175.0325 120 I 3.1641 8.9481 117.5110 60.9328 34.4488 173.2499 121 K 4.0543 8.0608 122.3328 56.0167 32.7692 176.3670 122 N 4.5102 8.4857 120.5067 53.4831 39.5259 174.7058 123 D 4.4203 8.2497 125.5853 56.5365 41.6010 177.5172 124 F 4.5754 7.6149 117.0717 57.0260 39.4685 175.8985 125 T 4.1755 8.6730 115.7001 61.2998 70.4924 174.9926 126 E 3.9570 8.7285 119.6986 59.8515 29.3494 179.1439 127 E 3.9461 8.2748 117.6247 59.8935 29.3205 179.2467 128 E 3.9624 8.2375 118.0569 59.6108 29.5663 179.3426 129 E 3.6302 8.3480 118.2668 59.2309 29.3437 179.3802 130 A 4.0216 8.1897 121.3353 54.6133 18.2314 178.5966 131 Q 4.4274 7.8243 113.8793 56.2754 28.8506 176.1991 132 V 4.0556 6.9217 120.9257 65.0817 32.9146 178.0845 133 R 3.9425 7.5331 116.8421 58.4162 30.1188 177.8155 134 K 4.0802 7.6386 119.1025 58.4310 32.8798 177.3705 135 E 4.3100 7.4465 118.0331 54.7946 28.2779 175.7401 136 N 4.4526 7.7684 121.9538 54.4319 39.0455 174.3389 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 P 0.00 4.37 0.00 2.11 1.96 0.00 3.84 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 1.84 1.59 0.00 3 S 7.84 5.66 0.00 3.97 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 4 I 7.41 4.48 1.89 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 1.30 1.15 0.94 0.00 0.00 5 K 8.49 4.78 0.00 1.89 1.96 0.00 1.56 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 6 L 8.33 4.98 0.00 1.94 1.87 1.04 0.41 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 7 Q 9.58 4.99 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 8 S 8.91 4.83 0.00 4.19 4.21 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 9 S 8.65 4.19 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 10 D 7.69 4.55 0.00 2.77 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 11 G 8.51 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 0.00 0.00 0.00 0.00 12 E 8.19 3.65 0.00 2.01 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 1.92 2.17 0.00 13 I 8.03 4.42 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.94 0.00 0.00 14 F 8.89 4.41 0.00 3.00 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 15 E 8.87 4.97 0.00 1.99 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 2.35 0.00 16 V 8.45 4.64 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 0.80 0.00 0.00 0.97 0.00 0.00 17 D 8.98 4.43 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.97 3.87 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 0.73 0.00 0.00 0.94 0.00 0.00 19 E 9.05 4.35 0.00 2.03 2.49 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 2.16 2.20 0.00 20 I 7.16 3.87 2.11 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 1.23 0.47 1.00 0.00 0.00 21 A 8.12 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.27 3.89 0.00 1.76 1.91 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.46 7.81 23 Q 7.84 4.12 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 24 S 8.78 4.68 0.00 3.87 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 25 V 8.21 3.80 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 0.81 0.00 0.00 0.95 0.00 0.00 26 T 7.64 3.77 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 0.90 0.00 0.00 27 I 8.87 3.69 1.87 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 1.39 1.13 0.92 0.00 0.00 28 K 8.41 3.59 0.00 2.02 1.94 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.52 7.81 29 T 8.54 4.05 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 1.25 0.00 0.00 30 M 7.80 4.37 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 31 L 6.96 4.55 0.00 1.60 1.66 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.44 4.06 0.00 2.09 1.99 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 2.32 2.30 0.00 33 D 8.40 4.68 0.00 2.76 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 34 L 7.71 4.45 0.00 1.74 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.34 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 36 M 7.69 4.32 0.00 2.00 2.22 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 2.64 2.52 0.00 37 D 8.72 4.62 0.00 2.65 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 0.00 0.00 0.00 38 P 0.00 4.53 0.00 1.96 2.01 0.00 3.68 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 2.10 0.00 39 V 8.59 4.10 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 0.99 0.00 0.00 0.95 0.00 0.00 40 P 0.00 4.93 0.00 2.15 2.10 0.00 3.84 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 2.00 2.02 0.00 41 L 8.31 4.56 0.00 1.80 1.78 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.38 0.00 2.01 2.12 0.00 3.74 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 2.08 2.15 0.00 43 N 7.69 4.40 0.00 1.44 2.01 0.00 0.00 6.73 7.68 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 44 V 7.25 4.11 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 0.74 0.00 0.00 0.94 0.00 0.00 45 N 7.63 4.02 0.00 2.74 2.77 0.00 0.00 7.02 7.83 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 46 A 9.11 4.19 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 3.99 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 48 I 7.75 3.63 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.88 0.00 0.00 49 L 8.12 3.73 0.00 1.74 0.71 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.39 3.67 0.00 2.15 2.06 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.77 7.81 51 K 7.89 4.30 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.51 0.00 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 1.69 7.81 52 V 7.68 4.09 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 0.88 0.00 0.00 0.94 0.00 0.00 53 I 8.00 3.93 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.97 0.00 0.00 54 Q 8.44 4.44 0.00 2.35 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.71 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 55 W 7.81 4.47 0.00 3.21 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 56 C 9.02 4.40 0.00 3.10 3.27 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 57 T 8.12 3.93 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 1.28 0.00 0.00 58 H 7.33 3.67 0.00 2.31 2.67 0.00 5.89 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.81 4.42 0.00 2.56 2.86 0.00 5.93 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 *64 I 7.93 4.01 1.91 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 1.50 0.52 0.95 0.00 0.00 65 P 0.00 4.71 0.00 2.36 2.20 0.00 3.56 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 2.06 2.21 0.00 66 V 7.65 4.09 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 1.06 0.00 0.00 1.04 0.00 0.00 67 W 8.15 4.22 0.00 3.37 3.23 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 68 D 8.34 4.58 0.00 3.02 2.97 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 69 Q 7.82 4.04 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 70 E 7.91 4.24 0.00 2.09 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 2.24 2.31 0.00 71 F 7.38 3.95 0.00 2.09 3.04 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 72 L 7.50 4.46 0.00 1.69 1.65 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.39 4.31 0.00 1.86 1.73 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.52 7.81 74 V 7.06 4.47 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 0.77 0.00 0.00 0.73 0.00 0.00 75 D 8.91 4.42 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 76 Q 7.50 3.41 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 77 G 7.99 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 0.00 0.00 0.00 78 T 8.76 4.47 4.21 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 1.32 0.00 0.00 79 L 7.80 3.88 0.00 1.78 1.81 0.92 0.95 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 80 F 9.27 3.74 0.00 3.10 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 81 E 8.37 3.92 0.00 2.13 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 0.00 2.51 2.43 0.00 82 L 7.94 4.05 0.00 1.78 1.63 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.49 3.76 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 1.49 0.63 0.67 0.00 0.00 84 L 8.27 4.52 0.00 1.67 1.49 0.83 -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 85 A 8.18 5.38 1.44 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 86 A 8.08 4.09 1.24 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 87 N 7.83 4.22 0.00 2.70 2.87 0.00 0.00 7.31 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 88 Y 8.03 4.16 0.00 3.02 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 89 L 9.22 4.03 0.00 1.68 1.64 0.97 1.12 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 90 D 7.12 4.37 0.00 2.75 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 91 I 7.70 4.52 1.61 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 1.25 0.99 0.77 0.00 0.00 92 K 8.05 4.20 0.00 1.72 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.62 7.81 93 G 8.42 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 94 L 7.31 3.38 0.00 0.41 1.11 0.57 0.06 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 95 L 7.89 3.94 0.00 1.71 1.71 0.87 0.99 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 96 D 8.56 4.38 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.83 3.98 2.25 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 1.05 0.00 0.00 1.24 0.00 0.00 98 T 7.89 4.09 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 1.20 0.00 0.00 99 C 7.85 4.19 0.00 3.13 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 0.00 100 K 8.51 4.13 0.00 1.97 1.92 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.70 7.81 101 T 7.46 3.87 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 1.26 0.00 0.00 102 V 7.53 3.85 2.19 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 1.00 0.00 0.00 1.05 0.00 0.00 103 A 8.47 3.98 1.37 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 0.00 0.00 104 N 8.40 4.11 0.00 2.86 2.98 0.00 0.00 7.14 7.65 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 0.00 105 M 7.66 4.38 0.00 1.95 2.48 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 106 I 8.18 4.37 2.06 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 1.00 0.00 0.00 107 K 8.00 3.77 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.57 7.81 108 G 7.70 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 0.00 0.00 0.00 109 K 7.93 4.57 0.00 1.80 1.76 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 110 T 8.65 3.30 4.57 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 1.22 0.00 0.00 111 P 0.00 4.32 0.00 2.23 2.24 0.00 3.61 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 2.14 2.24 0.00 112 E 8.13 4.08 0.00 2.07 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 2.41 2.48 0.00 113 E 7.96 4.00 0.00 2.26 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 2.31 2.34 0.00 114 I 7.93 3.75 2.11 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 1.66 0.96 1.20 0.00 0.00 115 R 8.06 3.93 0.00 2.10 2.17 0.00 3.21 0.00 0.00 3.29 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 116 K 8.14 3.96 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.70 7.81 117 T 7.61 3.80 3.66 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 0.00 0.00 0.49 0.00 0.00 118 F 7.75 4.76 0.00 3.02 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 0.00 119 N 9.11 4.28 0.00 2.79 2.77 0.00 0.00 7.13 7.82 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 0.00 120 I 8.95 3.16 1.93 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 1.46 0.64 0.92 0.00 0.00 121 K 8.06 4.05 0.00 1.71 1.72 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.42 7.81 122 N 8.49 4.51 0.00 2.73 2.76 0.00 0.00 7.04 8.47 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 0.00 123 D 8.25 4.42 0.00 2.22 2.51 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 0.00 124 F 7.61 4.58 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 0.00 125 T 8.67 4.18 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 1.25 0.00 0.00 126 E 8.73 3.96 0.00 2.09 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 2.41 2.50 0.00 127 E 8.27 3.95 0.00 2.07 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 2.41 2.49 0.00 128 E 8.24 3.96 0.00 2.21 2.24 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 2.44 2.42 0.00 129 E 8.35 3.63 0.00 2.30 1.94 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 2.26 2.58 0.00 130 A 8.19 4.02 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 0.00 131 Q 7.82 4.43 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 132 V 6.92 4.06 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 0.83 0.00 0.00 0.75 0.00 0.00 133 R 7.53 3.94 0.00 1.93 1.95 0.00 3.18 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 134 K 7.64 4.08 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.35 7.81 135 E 7.45 4.31 0.00 2.11 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 2.40 2.36 0.00 136 N 7.77 4.45 0.00 2.94 2.71 0.00 0.00 7.15 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.