NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4816 8.3349 115.5376 58.2657 63.8345 172.8963 1 M 4.2610 8.6756 128.1897 54.5192 33.3326 173.7614 2 K 5.1249 10.7800 125.7187 54.7674 35.1943 174.7899 3 L 5.3343 9.2776 125.9750 52.8739 44.3532 175.1979 4 L 4.7191 8.6482 126.0152 53.0543 44.6617 174.7975 5 F 5.1300 9.0266 125.1742 55.9357 41.0210 175.3609 6 V 5.5284 8.3978 121.9788 60.0136 30.9409 175.7023 *13 R 4.3483 8.0931 122.9372 55.5195 32.6554 178.0739 14 S 4.2897 7.9158 112.4636 60.3743 63.2126 174.5250 15 P 4.2476 0.0000 0.0000 65.1616 30.9739 178.3244 16 A 3.8329 7.8702 119.1319 54.9296 18.3546 179.0939 17 A 3.4886 7.5501 118.9524 55.1806 18.2629 179.4097 18 E 3.3863 7.7674 117.1903 59.2596 29.7963 178.8957 19 A 3.9352 7.7710 120.6987 55.1268 18.3685 179.8145 20 V 2.9963 7.6832 117.1059 66.1247 31.4461 177.9655 21 M 3.8554 7.9489 118.3484 58.2851 31.9059 178.2533 22 K 3.9350 8.2313 119.0199 59.3930 32.2707 179.1083 23 K 3.9254 7.9842 119.5774 59.5557 32.0397 178.8330 24 V 3.6302 8.1581 118.8376 66.1314 31.3223 178.0456 25 I 3.6344 8.0605 119.8381 64.4291 36.9478 178.2121 26 Q 3.9958 8.3047 121.9967 58.6851 28.6401 177.8283 27 N 4.2776 8.3722 117.0396 56.4487 38.6651 176.0545 28 H 4.6140 7.8920 114.1153 54.8176 29.4030 174.7488 29 H 4.0566 7.9838 116.8734 57.5294 26.7348 175.2041 30 L 4.8473 8.1050 115.1558 54.9448 42.7030 179.2249 31 T 4.0182 8.0838 119.1982 66.6133 68.5679 176.3057 32 E 4.0466 8.3098 118.2530 58.6678 29.7016 177.5816 33 K 4.1091 8.4401 119.7136 56.7904 32.8558 175.0229 34 Y 5.2409 7.6130 114.6743 56.4832 41.2252 174.5547 35 I 4.6995 8.8224 124.2744 59.4270 41.0429 173.8865 36 C 5.6589 8.8108 125.0733 58.5036 31.0445 172.3180 37 D 5.0467 9.0886 120.2866 53.2710 45.1252 173.5836 38 S 5.7542 8.4573 114.8521 55.8628 66.8584 172.3358 39 A 4.2341 8.8429 119.2619 51.1798 21.9328 176.1967 40 G 3.7348 8.6820 107.2932 46.3372 0.0000 173.8326 *49 Q 4.1642 7.5389 117.2641 55.4915 30.3999 175.6477 50 A 4.2491 7.9799 128.1759 51.5106 19.6227 176.4928 51 D 4.3902 8.9080 118.4828 55.1076 41.5116 178.2700 52 S 4.1084 8.9954 121.0559 61.2160 63.0644 176.6358 53 R 3.5825 7.9514 122.0215 59.5002 29.9108 177.5340 54 M 3.9761 8.6746 118.3410 59.1663 32.1016 178.4658 55 R 3.9780 8.3950 120.4430 59.7156 30.2028 179.7524 56 K 3.9060 7.6731 123.4621 59.6862 31.6230 181.0087 57 V 3.8291 7.8362 119.6978 65.9340 31.4306 178.2751 58 G 3.9167 8.2946 105.3885 47.9039 0.0000 175.4891 59 K 4.2308 8.2452 123.4888 58.6758 32.0666 179.0483 60 S 4.2448 8.1378 113.2055 60.4422 62.7683 175.0967 61 R 4.3283 7.4484 118.4061 55.8882 30.2418 176.5356 62 G 3.6656 8.2485 105.9303 45.1589 0.0000 173.0264 63 Y 4.6286 8.3242 120.1017 56.5426 40.2492 175.7587 64 Q 4.4170 8.6656 123.1995 53.5150 27.8564 173.2085 65 V 4.1413 8.0936 125.3754 61.2492 31.2842 176.3101 66 D 4.8280 8.1589 128.1467 52.1987 39.8345 174.4487 67 S 4.6533 7.8252 120.1767 57.3500 65.6653 175.0658 68 I 3.9413 8.2799 122.1993 59.4689 35.0421 173.3105 69 S 4.3908 8.6583 122.2083 58.0773 62.0899 173.5858 70 R 4.7145 8.4477 124.0639 54.0571 32.2743 173.2328 71 P 5.0300 0.0000 0.0000 60.9610 33.3794 175.6906 72 V 3.7144 8.3155 121.6864 63.1593 32.1893 175.6024 73 V 4.6106 8.3871 119.6296 58.7625 35.2357 176.8356 74 S 4.5191 8.6877 115.9997 61.9351 62.6248 176.6830 75 S 4.2542 8.1355 116.9663 60.8226 62.7540 175.8483 76 D 4.4845 7.9817 123.0547 57.5630 40.2586 178.6946 77 F 4.1946 7.8108 119.5596 60.6262 38.8707 178.0820 78 K 3.2023 7.5188 122.2135 59.0961 31.9054 182.1203 79 N 4.5156 8.0909 117.0863 54.6784 38.9852 176.1339 80 F 4.2384 7.3922 117.5899 56.9950 40.0428 175.3256 81 D 4.4294 8.8892 123.8664 56.5589 41.5010 176.6236 82 Y 5.0719 7.7531 113.7633 56.2247 42.9879 174.6186 83 I 4.6986 8.6571 122.2864 59.5528 41.5000 174.2234 84 F 5.4534 8.8941 125.5408 55.6384 41.7565 174.4290 85 A 5.0760 9.4536 126.5059 51.6451 20.0813 177.7651 86 M 4.5792 8.7892 119.6584 56.8706 33.8317 175.7597 87 D 5.0344 8.4059 116.8677 50.6745 43.2418 175.9261 88 N 4.4524 9.6666 116.8021 56.4283 38.2616 177.3639 89 D 4.5634 8.2800 119.2004 57.2403 41.3869 177.8505 90 N 4.4002 9.0094 117.6152 56.2752 38.5881 176.4366 91 Y 4.0670 7.9932 120.8854 61.2878 38.7972 178.1570 92 Y 3.9389 7.9957 117.2074 60.5162 37.7525 177.4904 93 E 3.9468 8.0880 119.7354 59.4526 30.1426 178.5633 94 L 4.2561 8.5355 119.0433 57.8994 41.8511 179.6196 95 L 3.7757 7.5398 118.5480 57.8560 41.3765 179.1374 96 D 4.3328 8.2683 116.6932 56.6140 41.1165 177.2962 97 R 4.2385 7.3595 116.9386 55.9718 31.0520 175.6125 98 C 3.0261 6.8177 118.8434 57.2789 32.3780 171.3840 99 P 4.2378 0.0000 0.0000 62.6756 31.8617 176.6870 100 E 3.8355 8.8511 122.1998 59.6320 29.2551 179.4249 101 Q 3.9002 7.7457 115.4864 58.5018 28.7678 176.8767 102 Y 4.8131 7.4772 116.9985 57.9398 38.4050 177.3880 103 K 3.8997 7.8451 120.7794 59.1672 31.9024 178.4808 104 Q 4.1035 7.9879 115.2712 57.8262 29.0768 176.9996 105 K 4.4248 8.5163 118.6192 57.9248 32.5516 176.0224 106 I 4.8450 7.1784 120.7709 60.0948 38.0498 175.3527 107 F 4.9776 9.4796 125.3507 55.3923 43.4068 174.2532 108 K 4.6756 8.5555 120.4013 56.3102 33.0120 177.4184 109 M 4.3006 9.8034 125.5601 59.2882 32.2722 179.0325 110 V 3.8104 7.8311 110.7422 63.4309 31.6067 177.5445 111 D 4.3542 7.7016 117.8796 56.0197 40.6690 177.2953 112 F 4.4156 7.9643 117.0801 56.8491 39.8639 175.9178 113 C 4.4848 7.6737 117.6436 60.1453 28.4235 173.6269 114 T 4.6050 9.0228 111.6971 61.1411 70.0938 174.8170 115 T 4.4379 8.3170 109.8688 61.6905 70.9058 174.1526 116 I 4.1001 8.0696 125.1606 60.8085 38.0006 176.8862 117 K 4.4030 8.3565 127.8123 53.0131 30.5450 172.1698 118 T 4.7889 7.7692 118.0247 59.9765 70.7605 173.5760 119 T 4.4697 8.3802 114.2240 62.0230 70.4098 173.9166 120 E 4.7795 7.5963 119.3807 54.5931 33.9700 174.9446 121 V 3.8586 8.6845 123.3923 62.3764 31.8452 174.2961 122 P 4.5541 0.0000 0.0000 62.4226 32.6437 175.1953 123 D 4.5140 8.4633 121.3253 52.6703 42.2724 176.0088 124 P 4.2275 0.0000 0.0000 62.7291 29.1341 177.7448 125 Y 4.6693 6.8448 116.2862 56.6994 41.0078 175.9984 *128 G 4.0039 8.5248 112.6869 44.8308 0.0000 171.1617 129 E 4.9415 9.3497 127.6350 56.9136 32.4784 179.5352 130 K 4.2160 8.2962 124.5187 59.6729 31.4235 183.8994 131 G 3.6722 8.1408 104.6106 48.1685 0.0000 175.6607 132 F 3.9998 7.8957 118.8066 60.6091 38.9248 177.3197 133 H 4.2538 8.4232 117.8136 59.7857 28.5868 178.5069 134 R 4.0933 8.2746 122.4025 61.2998 29.0964 180.9070 135 V 3.7139 7.5569 117.8521 66.2017 31.5014 178.3586 136 I 3.6525 7.6467 119.1456 64.0817 36.9536 178.0186 137 D 4.3727 8.5542 120.3420 57.6757 40.7537 179.0506 138 I 3.7269 7.6465 119.9792 64.2849 37.0311 178.6313 139 L 3.8778 7.8696 119.8601 57.6180 41.4290 179.0060 140 E 3.8503 8.3044 119.0367 59.6074 29.4549 179.0772 141 D 4.2353 7.8878 116.7818 57.3992 41.2761 178.2088 142 A 4.0906 8.0139 121.1821 55.4407 18.4351 179.4612 143 C 3.8768 8.5947 115.6438 62.5432 28.2055 175.9442 144 E 3.8128 8.0490 120.9767 59.4223 29.2423 178.4669 145 N 4.3203 8.0906 117.0505 56.4898 38.9452 176.5136 146 L 3.3871 8.1058 122.2938 57.8396 42.0521 178.8286 147 I 3.3613 7.5457 118.5690 63.7696 37.6200 177.7517 148 I 3.6454 7.1699 119.2751 64.5347 37.3598 178.2364 149 K 4.1480 8.2166 119.2671 59.4688 31.8067 179.4755 150 L 4.0302 8.2209 119.6823 57.8740 41.2634 179.4763 151 E 4.0756 8.1088 117.7432 59.3317 29.4270 178.8796 152 E 4.2471 7.8996 117.5955 59.2422 30.0351 177.7522 153 G 3.7443 7.3835 104.8012 44.5384 0.0000 172.1052 154 K 4.0288 8.4131 122.7207 56.9050 32.6427 177.1887 155 L 4.2740 8.4694 125.6469 54.3283 42.0959 176.6455 156 I 4.7979 7.9563 123.6154 59.7197 40.4413 174.9701 157 N 4.3121 8.7690 121.6828 54.3950 38.6501 173.8886 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 S 8.33 4.48 0.00 3.84 3.77 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 1 M 8.68 4.26 0.00 2.13 1.62 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 2 K 10.78 5.12 0.00 1.40 1.38 0.00 1.12 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.22 1.43 7.81 3 L 9.28 5.33 0.00 1.71 1.59 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.65 4.72 0.00 0.27 0.86 0.41 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.03 5.13 0.00 3.01 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 6 V 8.40 5.53 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 1.19 0.00 0.00 0.84 0.00 0.00 *13 R 8.09 4.35 0.00 1.95 1.98 0.00 3.16 0.00 0.00 3.49 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 14 S 7.92 4.29 0.00 4.16 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 15 P 0.00 4.25 0.00 2.18 2.14 0.00 3.53 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 2.13 2.16 0.00 16 A 7.87 3.83 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 17 A 7.55 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.77 3.39 0.00 2.07 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 0.00 2.30 2.42 0.00 19 A 7.77 3.94 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.68 3.00 1.63 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 0.77 0.00 0.00 -0.15 0.00 0.00 21 M 7.95 3.86 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.84 0.00 22 K 8.23 3.94 0.00 1.98 1.87 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.64 7.81 23 K 7.98 3.93 0.00 2.10 2.23 0.00 1.53 0.00 0.00 1.54 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.54 7.81 24 V 8.16 3.63 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 0.93 0.00 0.00 0.96 0.00 0.00 25 I 8.06 3.63 2.10 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 1.17 0.44 1.01 0.00 0.00 26 Q 8.30 4.00 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 27 N 8.37 4.28 0.00 2.88 2.84 0.00 0.00 7.06 7.84 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 28 H 7.89 4.61 0.00 3.03 3.36 0.00 6.00 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.98 4.06 0.00 3.30 3.41 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.10 4.85 0.00 1.82 1.98 0.98 1.23 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 31 T 8.08 4.02 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 32 E 8.31 4.05 0.00 2.07 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 2.30 2.26 0.00 33 K 8.44 4.11 0.00 1.68 1.94 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.58 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.61 0.62 7.81 34 Y 7.61 5.24 0.00 3.01 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 35 I 8.82 4.70 1.93 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 1.30 1.75 0.95 0.00 0.00 36 C 8.81 5.66 0.00 3.01 3.09 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 37 D 9.09 5.05 0.00 3.07 2.36 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 0.00 38 S 8.46 5.75 0.00 3.98 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 39 A 8.84 4.23 1.15 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 40 G 8.68 3.73 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 0.00 0.00 0.00 *49 Q 7.54 4.16 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 50 A 7.98 4.25 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 51 D 8.91 4.39 0.00 2.93 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 52 S 9.00 4.11 0.00 4.06 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 53 R 7.95 3.58 0.00 1.66 1.61 0.00 2.95 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 54 M 8.67 3.98 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 55 R 8.39 3.98 0.00 2.02 1.95 0.00 3.18 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 56 K 7.67 3.91 0.00 1.71 1.81 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 57 V 7.84 3.83 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 0.78 0.00 0.00 0.74 0.00 0.00 58 G 8.29 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 59 K 8.25 4.23 0.00 1.93 2.05 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.28 7.81 60 S 8.14 4.24 0.00 4.07 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 61 R 7.45 4.33 0.00 1.99 2.03 0.00 3.30 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 62 G 8.25 3.67 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 0.00 0.00 0.00 63 Y 8.32 4.63 0.00 3.05 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 64 Q 8.67 4.42 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 65 V 8.09 4.14 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 0.99 0.00 0.00 0.95 0.00 0.00 66 D 8.16 4.83 0.00 2.76 2.62 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 67 S 7.83 4.65 0.00 4.01 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 0.00 68 I 8.28 3.94 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 1.30 0.69 0.91 0.00 0.00 69 S 8.66 4.39 0.00 3.89 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 70 R 8.45 4.71 0.00 1.93 2.05 0.00 3.01 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 71 P 0.00 5.03 0.00 2.10 2.08 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 72 V 8.32 3.71 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 0.53 0.00 0.00 0.84 0.00 0.00 73 V 8.39 4.61 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 0.85 0.00 0.00 0.99 0.00 0.00 74 S 8.69 4.52 0.00 4.19 4.25 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 0.00 0.00 0.00 0.00 75 S 8.14 4.25 0.00 4.07 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 76 D 7.98 4.48 0.00 2.52 2.46 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 77 F 7.81 4.19 0.00 3.16 3.08 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 78 K 7.52 3.20 0.00 1.85 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.09 7.81 79 N 8.09 4.52 0.00 2.58 2.59 0.00 0.00 7.10 6.99 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 80 F 7.39 4.24 0.00 3.09 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 81 D 8.89 4.43 0.00 2.47 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 0.00 0.00 0.00 0.00 82 Y 7.75 5.07 0.00 2.84 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 83 I 8.66 4.70 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.65 0.76 0.00 0.00 84 F 8.89 5.45 0.00 2.87 3.07 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 85 A 9.45 5.08 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 86 M 8.79 4.58 0.00 2.04 2.17 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 2.63 2.95 0.00 87 D 8.41 5.03 0.00 3.18 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 88 N 9.67 4.45 0.00 2.98 3.16 0.00 0.00 7.10 8.02 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 89 D 8.28 4.56 0.00 2.88 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 90 N 9.01 4.40 0.00 2.98 2.92 0.00 0.00 6.58 7.38 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 91 Y 7.99 4.07 0.00 3.09 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 92 Y 8.00 3.94 0.00 3.13 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 93 E 8.09 3.95 0.00 2.23 2.21 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 2.37 2.46 0.00 94 L 8.54 4.26 0.00 1.79 1.81 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.54 3.78 0.00 1.71 1.56 0.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.27 4.33 0.00 2.66 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 97 R 7.36 4.24 0.00 2.17 1.83 0.00 3.47 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 98 C 6.82 3.03 0.00 2.64 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 99 P 0.00 4.24 0.00 2.21 1.93 0.00 3.42 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.11 0.00 100 E 8.85 3.84 0.00 1.98 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 2.31 2.36 0.00 101 Q 7.75 3.90 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 102 Y 7.48 4.81 0.00 3.07 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 0.00 103 K 7.85 3.90 0.00 1.73 1.80 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.62 7.81 104 Q 7.99 4.10 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 105 K 8.52 4.42 0.00 1.98 1.99 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.63 7.81 106 I 7.18 4.85 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.80 0.00 0.00 107 F 9.48 4.98 0.00 2.94 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 0.00 108 K 8.56 4.68 0.00 1.75 1.66 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.41 7.81 109 M 9.80 4.30 0.00 2.19 2.34 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 2.66 2.69 0.00 110 V 7.83 3.81 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 0.94 0.00 0.00 111 D 7.70 4.35 0.00 2.66 2.36 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 0.00 112 F 7.96 4.42 0.00 3.10 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 0.00 113 C 7.67 4.48 0.00 3.08 3.08 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 0.00 114 T 9.02 4.61 4.24 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 1.27 0.00 0.00 115 T 8.32 4.44 4.24 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 1.21 0.00 0.00 116 I 8.07 4.10 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.90 0.00 0.00 117 K 8.36 4.40 0.00 1.76 1.62 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 0.97 7.81 118 T 7.77 4.79 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 1.20 0.00 0.00 119 T 8.38 4.47 4.24 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 1.20 0.00 0.00 120 E 7.60 4.78 0.00 1.83 1.86 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 2.23 2.32 0.00 121 V 8.68 3.86 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 0.72 0.00 0.00 0.98 0.00 0.00 122 P 0.00 4.55 0.00 2.03 2.00 0.00 3.49 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 1.93 2.04 0.00 123 D 8.46 4.51 0.00 2.67 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 0.00 124 P 0.00 4.23 0.00 0.49 1.36 0.00 3.58 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.33 0.00 125 Y 6.84 4.67 0.00 2.91 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 *128 G 8.52 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 0.00 0.00 0.00 129 E 9.35 4.94 0.00 2.26 2.32 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 2.32 2.41 0.00 130 K 8.30 4.22 0.00 1.78 1.88 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.09 7.81 131 G 8.14 3.67 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 0.00 0.00 0.00 132 F 7.90 4.00 0.00 2.95 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 0.00 133 H 8.42 4.25 0.00 3.37 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.27 4.09 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 135 V 7.56 3.71 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 0.89 0.00 0.00 0.86 0.00 0.00 136 I 7.65 3.65 2.00 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 1.41 0.59 0.86 0.00 0.00 137 D 8.55 4.37 0.00 2.79 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 0.00 138 I 7.65 3.73 1.96 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 1.50 0.99 0.89 0.00 0.00 139 L 7.87 3.88 0.00 1.64 1.47 0.73 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.30 3.85 0.00 2.13 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 0.00 2.38 2.52 0.00 141 D 7.89 4.24 0.00 2.80 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 0.00 142 A 8.01 4.09 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 143 C 8.59 3.88 0.00 2.86 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 0.00 144 E 8.05 3.81 0.00 2.13 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 2.31 2.36 0.00 145 N 8.09 4.32 0.00 2.99 3.01 0.00 0.00 6.94 6.80 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 0.00 146 L 8.11 3.39 0.00 1.01 1.44 -0.24 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.55 3.36 1.56 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.68 0.00 0.00 148 I 7.17 3.65 2.01 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 1.51 0.76 0.94 0.00 0.00 149 K 8.22 4.15 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.85 7.81 150 L 8.22 4.03 0.00 1.61 1.86 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.11 4.08 0.00 2.20 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 2.48 2.52 0.00 152 E 7.90 4.25 0.00 2.11 2.04 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 2.36 2.46 0.00 153 G 7.38 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 0.00 154 K 8.41 4.03 0.00 1.80 1.87 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.77 7.81 155 L 8.47 4.27 0.00 1.12 0.99 -0.40 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.96 4.80 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.99 0.00 0.00 157 N 8.77 4.31 0.00 3.03 2.72 0.00 0.00 6.95 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.