NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2601 8.2644 123.5818 51.9494 19.9267 175.6241 2 E 4.3077 8.6160 121.8349 54.8455 30.8319 174.8852 3 C 5.3879 8.4737 123.1270 56.3968 43.1562 172.6838 4 S 3.9923 7.6066 112.4555 56.9205 66.1165 173.0764 5 V 4.4438 8.0141 118.2733 60.3728 34.8499 173.1824 6 D 5.2019 8.5365 122.5787 52.7080 42.7050 175.5361 7 I 4.7628 8.6294 123.2311 59.2146 41.7685 173.8393 8 Q 5.2479 9.5513 126.8683 54.0606 32.3210 174.6278 9 G 4.3681 9.1817 110.2115 44.4988 0.0000 172.0317 10 N 5.5343 8.4112 122.9291 51.0076 40.4450 175.0174 11 D 4.5340 8.9131 117.1110 56.6433 40.9921 177.1434 12 Q 4.4320 8.3197 117.7187 55.3564 28.8825 174.9990 13 M 3.0909 7.6598 115.5931 56.9256 31.1500 176.6476 14 Q 4.5183 7.7346 114.5667 53.6757 32.5778 175.6282 15 F 5.7524 8.7349 120.3211 57.0703 39.7472 175.0067 16 N 4.8627 8.8590 119.2455 53.2166 37.5937 174.5375 17 T 4.7647 7.7217 111.8529 61.4074 70.4591 172.3931 18 N 5.2576 8.8763 121.2704 52.3705 38.9877 173.3187 19 A 5.2496 8.3268 120.3372 51.4342 22.8230 176.3514 20 I 4.6598 9.5031 123.8532 59.7556 40.7139 174.6790 21 T 4.9897 8.6256 122.4000 61.8025 70.7549 173.7343 22 V 4.0231 8.4975 126.9751 60.5811 33.6185 174.6042 23 D 4.8057 8.7536 128.1236 54.1108 41.6366 177.0934 24 K 3.9588 8.7582 126.7097 59.0306 32.2111 178.2117 25 S 4.3572 8.5570 112.7985 59.8542 63.5461 174.1455 26 C 4.4499 8.0587 120.1230 57.1368 40.9384 173.6599 27 K 4.2350 8.6957 123.7451 57.8618 33.1678 176.4686 28 Q 5.0132 7.9095 115.5662 54.2448 32.1649 174.6897 29 F 4.7927 8.4632 121.3445 56.7842 43.3461 173.2249 30 T 4.7920 7.4151 121.6002 61.5382 71.8697 172.9480 31 V 4.2606 8.3941 126.0519 61.0817 33.8330 174.0589 32 N 4.9637 8.7794 126.5170 51.5846 40.0471 173.3239 33 L 4.9497 8.6900 127.5808 53.9313 44.0731 175.5313 34 S 5.0656 9.0148 119.3257 57.2231 67.6246 172.6047 35 H 5.9881 8.4248 118.5059 52.3737 30.1173 170.6732 36 P 4.5359 0.0000 0.0000 62.7221 32.3813 175.8545 37 G 3.9438 9.5049 105.4564 44.7298 0.0000 173.5162 38 N 5.0177 9.2709 115.1694 51.8666 41.9679 174.2405 39 L 4.3586 8.4932 120.6923 52.9871 42.7611 175.1313 40 P 4.8083 0.0000 0.0000 61.6957 32.3458 177.2466 41 K 4.1350 8.3984 117.6353 59.2400 32.6693 177.6265 42 N 4.5935 8.1330 115.3035 53.8304 37.7936 174.7844 43 V 4.1949 7.6198 116.1386 64.3860 33.7993 175.4885 44 M 4.7477 8.0902 117.1798 53.6337 31.8914 174.3906 45 G 4.1152 7.8415 107.6450 45.7870 0.0000 171.2696 46 H 5.4165 9.3571 119.1564 53.8164 33.1168 172.4385 47 N 5.4659 8.7855 117.8057 50.9340 41.5614 172.1231 48 W 5.3333 9.0607 127.5114 55.9281 34.0737 174.2980 49 V 4.5451 8.0821 126.5010 60.7024 34.5947 173.5788 50 L 4.8712 8.2247 129.2319 53.1694 44.6037 175.2997 51 S 5.1793 8.8520 119.8088 56.9478 67.3538 173.5029 52 T 4.1769 8.5570 109.3163 61.0925 69.3770 175.1295 53 A 3.8973 8.8516 125.4523 55.5949 18.0953 180.2456 54 A 3.8915 7.8696 117.2748 54.8503 18.7052 178.5512 55 D 4.5599 7.7387 115.7601 55.2846 41.2750 178.2554 56 M 3.7708 7.5678 119.9054 58.9444 32.0728 178.0758 57 Q 3.9234 7.9602 117.3895 58.8323 28.9212 178.9678 58 G 3.5962 7.9562 106.1908 47.8339 0.0000 175.7120 59 V 3.6502 7.9503 120.9731 65.6641 31.5774 178.3451 60 V 3.6056 7.9685 118.2449 66.1313 31.4783 178.0455 61 T 3.8240 8.1974 115.8883 67.0318 68.3951 176.4129 62 D 4.5479 8.2856 120.6537 56.9257 40.6995 179.1490 63 G 4.1902 8.4706 108.3478 47.5120 0.0000 175.3842 64 M 4.2592 8.4683 119.8719 58.5202 32.3602 177.9286 65 A 4.1611 7.7493 119.1859 55.2320 18.4227 179.5028 66 S 4.2101 8.1055 114.0302 59.8160 63.1245 175.6650 67 G 3.6376 8.4834 110.0071 44.0314 0.0000 173.3345 68 L 3.1328 7.8513 118.7284 57.8472 41.9981 178.9513 69 D 4.3238 7.8816 116.5802 56.2814 41.4249 176.5795 70 K 4.4074 7.6061 116.7332 55.4733 32.4786 175.7935 71 D 4.5818 8.4456 116.6268 55.4650 38.9504 173.2335 72 Y 3.8633 7.6168 113.2590 59.1410 35.9528 169.5973 73 L 5.0314 7.5585 117.7401 52.2511 45.3256 176.7580 74 K 4.0205 8.5442 123.4752 55.1498 32.5370 174.2651 75 P 4.3272 0.0000 0.0000 64.5104 31.6323 175.6914 76 D 4.4111 8.9365 120.3308 54.9760 38.4644 173.0543 77 D 4.3519 7.8155 119.6781 54.5643 41.0517 177.4584 78 S 4.3256 8.6557 121.7533 60.5350 63.2395 175.3237 79 R 4.0609 8.1892 119.3802 57.3785 30.1849 176.4160 80 V 4.1974 7.5673 118.5864 61.6154 31.5759 175.4907 81 I 4.0448 8.7124 129.8698 64.2745 37.5857 176.3881 82 A 4.8130 7.6537 120.7317 51.6114 22.3703 174.8161 83 H 5.5095 8.5577 113.5695 54.9540 31.3413 173.2445 84 T 4.7070 8.8809 111.8009 60.1632 70.7924 174.1520 85 K 4.4159 9.1462 122.3176 56.3454 33.8191 176.3509 86 L 4.6670 8.4442 123.4691 54.8925 42.7039 175.8352 87 I 4.8215 9.2001 119.7353 59.3171 41.3320 175.2245 88 G 4.4586 9.1768 112.2702 44.1487 0.0000 172.7314 89 S 4.4057 8.1442 114.3324 59.8027 63.0530 175.8015 90 G 4.0220 8.8040 111.5963 45.5588 0.0000 173.1188 91 E 4.6580 7.8639 119.5643 54.8702 31.5656 174.6093 92 K 5.1248 8.0214 118.0087 56.2158 35.8354 174.6621 93 D 4.7863 8.9178 119.2642 53.3582 45.0125 174.0672 94 S 5.3220 8.6093 119.2060 56.6443 66.6160 173.7311 95 V 4.5799 8.4965 121.3759 60.2738 34.7243 174.4172 96 T 5.1903 8.5956 118.9677 61.8367 71.5265 173.1703 97 F 5.1124 8.4514 119.1804 55.1708 42.3800 173.4128 98 D 4.9839 8.7948 120.0096 53.7381 41.5703 178.1217 99 V 3.8183 8.7361 124.9634 65.4019 31.7743 177.9804 100 S 4.4867 8.1297 113.3728 60.7622 62.6915 175.2368 101 K 4.2208 8.0465 119.1927 57.4675 32.1558 176.7314 102 L 4.6651 8.0201 119.4735 53.0088 44.2647 176.9273 103 K 4.4867 8.9517 122.1844 56.4458 31.6500 177.0148 *105 G 3.8819 8.4610 104.4822 44.1438 0.0000 171.7872 106 E 4.4478 8.3081 117.1757 53.9330 33.7048 173.6649 107 Q 4.4527 8.3267 126.9571 54.9623 30.9210 173.7287 108 Y 5.1382 8.2212 122.6582 56.7661 41.2608 174.6035 109 M 5.3807 9.2792 120.7050 53.6502 36.8217 174.3982 110 F 5.2412 8.5624 116.5892 55.4211 41.2803 174.0755 111 F 5.4653 8.0230 113.6252 56.4027 41.8290 172.1791 112 C 5.2897 9.3854 120.4482 57.6486 31.8940 174.4828 113 A 4.2867 9.4779 130.5110 55.1348 18.3321 178.5046 114 A 3.9652 8.0263 117.9543 55.0708 18.9346 177.5069 115 H 4.7644 7.6220 112.0718 54.1037 29.6943 173.6095 116 A 4.6301 8.3484 123.1069 53.1720 18.8406 179.0977 117 A 3.9838 7.9160 118.0984 54.7455 18.8593 177.3139 118 M 4.5385 8.3831 117.4769 54.8010 32.6089 175.9351 119 K 4.9900 8.4840 122.0308 56.1727 36.3121 174.8939 120 G 3.5330 7.5440 106.9597 45.9993 0.0000 171.9993 121 T 5.1821 8.4510 109.6507 59.8199 72.1050 173.3985 122 L 5.4874 8.9467 124.5940 53.8911 45.5243 175.3163 123 T 4.9302 8.6655 121.4318 61.5626 72.9665 173.3253 124 L 4.6569 8.8743 128.3064 55.4314 42.6826 177.8644 125 K 4.3040 8.9823 126.0202 55.4247 32.9763 173.7180 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 A 8.26 4.26 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 2 E 8.62 4.31 0.00 1.98 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 2.56 0.00 3 C 8.47 5.39 0.00 2.78 3.16 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 0.00 0.00 0.00 4 S 7.61 3.99 0.00 3.49 3.38 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 5 V 8.01 4.44 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 0.73 0.00 0.00 0.89 0.00 0.00 6 D 8.54 5.20 0.00 2.50 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 7 I 8.63 4.76 1.59 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.64 0.57 0.00 0.00 8 Q 9.55 5.25 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 9 G 9.18 4.37 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 0.00 10 N 8.41 5.53 0.00 2.87 2.98 0.00 0.00 6.60 8.01 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 11 D 8.91 4.53 0.00 2.72 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 12 Q 8.32 4.43 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 13 M 7.66 3.09 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 14 Q 7.73 4.52 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.82 0.00 0.00 0.00 0.00 0.00 2.33 1.91 0.00 15 F 8.73 5.75 0.00 3.25 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 16 N 8.86 4.86 0.00 2.89 2.99 0.00 0.00 5.78 7.71 0.00 0.00 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 T 7.72 4.76 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 1.32 0.00 0.00 18 N 8.88 5.26 0.00 2.86 3.04 0.00 0.00 5.65 7.02 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 19 A 8.33 5.25 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 20 I 9.50 4.66 2.03 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.98 0.00 0.00 21 T 8.63 4.99 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 1.23 0.00 0.00 22 V 8.50 4.02 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 0.73 0.00 0.00 0.07 0.00 0.00 23 D 8.75 4.81 0.00 2.76 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 24 K 8.76 3.96 0.00 1.78 1.88 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 25 S 8.56 4.36 0.00 3.95 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 0.00 26 C 8.06 4.45 0.00 3.08 3.32 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 27 K 8.70 4.23 0.00 1.70 1.83 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.43 7.81 28 Q 7.91 5.01 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 29 F 8.46 4.79 0.00 2.77 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 30 T 7.42 4.79 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 1.03 0.00 0.00 31 V 8.39 4.26 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 -0.31 0.00 0.00 0.15 0.00 0.00 32 N 8.78 4.96 0.00 2.64 2.63 0.00 0.00 6.16 6.44 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 33 L 8.69 4.95 0.00 1.66 1.67 1.16 0.95 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 34 S 9.01 5.07 0.00 3.91 3.91 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 35 H 8.42 5.99 0.00 3.23 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.54 0.00 2.02 2.02 0.00 3.91 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 2.23 2.14 0.00 37 G 9.50 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 38 N 9.27 5.02 0.00 2.59 2.78 0.00 0.00 6.96 7.72 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 39 L 8.49 4.36 0.00 1.85 1.59 0.93 0.76 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 40 P 0.00 4.81 0.00 2.34 2.18 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 41 K 8.40 4.13 0.00 1.92 2.04 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 42 N 8.13 4.59 0.00 2.87 2.99 0.00 0.00 5.80 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 43 V 7.62 4.19 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 0.83 0.00 0.00 0.94 0.00 0.00 44 M 8.09 4.75 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 45 G 7.84 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.36 5.42 0.00 3.14 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.79 5.47 0.00 3.08 3.14 0.00 0.00 5.54 8.88 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 48 W 9.06 5.33 0.00 3.44 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 49 V 8.08 4.55 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 0.52 0.00 0.00 0.74 0.00 0.00 50 L 8.22 4.87 0.00 1.03 1.13 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.85 5.18 0.00 4.06 4.05 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 0.00 0.00 0.00 52 T 8.56 4.18 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 1.03 0.00 0.00 53 A 8.85 3.90 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 54 A 7.87 3.89 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 55 D 7.74 4.56 0.00 2.80 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 56 M 7.57 3.77 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 2.05 0.00 57 Q 7.96 3.92 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 58 G 7.96 3.60 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 0.00 0.00 0.00 59 V 7.95 3.65 2.30 0.00 0.00 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 1.03 0.00 0.00 60 V 7.97 3.61 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 0.78 0.00 0.00 0.59 0.00 0.00 61 T 8.20 3.82 4.38 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 1.21 0.00 0.00 62 D 8.29 4.55 0.00 2.73 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 63 G 8.47 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 64 M 8.47 4.26 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 65 A 7.75 4.16 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 66 S 8.11 4.21 0.00 4.07 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 67 G 8.48 3.64 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 0.00 0.00 0.00 68 L 7.85 3.13 0.00 1.64 1.56 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.88 4.32 0.00 2.59 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 70 K 7.61 4.41 0.00 1.70 1.82 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.32 7.81 71 D 8.45 4.58 0.00 2.84 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 72 Y 7.62 3.86 0.00 3.29 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 73 L 7.56 5.03 0.00 1.53 1.51 0.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.54 4.02 0.00 1.80 1.86 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.43 7.81 75 P 0.00 4.33 0.00 2.08 2.00 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 76 D 8.94 4.41 0.00 2.84 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 77 D 7.82 4.35 0.00 2.90 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 78 S 8.66 4.33 0.00 4.03 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 79 R 8.19 4.06 0.00 2.00 2.06 0.00 3.16 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 80 V 7.57 4.20 2.23 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 0.79 0.00 0.00 0.96 0.00 0.00 81 I 8.71 4.04 1.64 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 1.15 0.65 0.63 0.00 0.00 82 A 7.65 4.81 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 83 H 8.56 5.51 0.00 3.14 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.88 4.71 4.48 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 1.30 0.00 0.00 85 K 9.15 4.42 0.00 1.80 1.92 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.44 7.81 86 L 8.44 4.67 0.00 1.74 1.67 1.05 1.00 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 87 I 9.20 4.82 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.02 1.03 0.00 0.00 88 G 9.18 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.41 0.00 4.10 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 90 G 8.80 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 91 E 7.86 4.66 0.00 2.20 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 2.25 2.38 0.00 92 K 8.02 5.12 0.00 1.82 1.73 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.42 7.81 93 D 8.92 4.79 0.00 2.82 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 94 S 8.61 5.32 0.00 3.67 3.58 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 95 V 8.50 4.58 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 0.98 0.00 0.00 1.04 0.00 0.00 96 T 8.60 5.19 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 1.09 0.00 0.00 97 F 8.45 5.11 0.00 3.15 3.16 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 0.00 0.00 0.00 98 D 8.79 4.98 0.00 2.82 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 99 V 8.74 3.82 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 100 S 8.13 4.49 0.00 4.04 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 0.00 101 K 8.05 4.22 0.00 1.97 1.91 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.47 7.81 102 L 8.02 4.67 0.00 1.63 1.42 0.84 -0.11 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 0.00 103 K 8.95 4.49 0.00 2.00 1.38 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.22 7.81 *105 G 8.46 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 0.00 0.00 0.00 106 E 8.31 4.45 0.00 1.82 1.91 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 2.03 1.47 0.00 107 Q 8.33 4.45 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 108 Y 8.22 5.14 0.00 3.30 2.88 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 0.00 109 M 9.28 5.38 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 110 F 8.56 5.24 0.00 1.69 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 0.00 111 F 8.02 5.47 0.00 3.19 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 0.00 112 C 9.39 5.29 0.00 3.07 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 0.00 113 A 9.48 4.29 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 0.00 114 A 8.03 3.97 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 0.00 115 H 7.62 4.76 0.00 3.11 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.35 4.63 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 0.00 117 A 7.92 3.98 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 0.00 118 M 8.38 4.54 0.00 1.38 1.95 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 119 K 8.48 4.99 0.00 1.60 1.71 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.33 7.81 120 G 7.54 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 0.00 121 T 8.45 5.18 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 1.18 0.00 0.00 122 L 8.95 5.49 0.00 2.03 1.71 1.17 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.67 4.93 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 1.26 0.00 0.00 124 L 8.87 4.66 0.00 1.57 1.63 1.00 0.82 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 0.00 125 K 8.98 4.30 0.00 1.38 1.58 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.