NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0471 8.3544 108.0296 46.1262 0.0000 172.8422 2 L 4.7583 8.2974 124.1695 52.8751 45.8003 171.9188 3 E 4.7463 9.5237 124.7599 55.0236 32.1506 174.1099 4 C 4.4453 8.8457 124.5137 56.7641 41.1802 173.6872 5 D 4.4724 8.6811 123.8582 55.5588 40.6177 174.0057 *9 N 5.0280 8.0200 116.6615 52.8595 41.0818 174.9839 10 I 4.2364 7.6767 109.8939 60.1495 39.1014 176.1579 11 C 4.5164 8.7696 123.5199 57.7698 45.0064 171.4397 12 C 5.0437 9.2732 120.5545 53.6798 45.6460 172.7041 13 K 4.6728 8.0298 120.5203 55.7747 32.5300 176.0139 14 K 4.5275 8.6460 126.6430 54.2516 35.3606 175.5074 15 Q 4.6638 8.5230 122.8784 56.0236 29.7532 175.6042 16 F 5.0611 9.2148 125.4801 56.7535 42.7716 172.9088 17 F 4.2540 8.5902 129.5318 57.4524 40.0990 174.5260 18 V 3.6449 7.1929 126.4991 60.7628 34.0854 173.9532 19 S 4.6598 7.8148 121.5044 56.5627 64.1472 174.9038 20 F 4.5257 8.9049 126.1192 59.9428 38.4657 177.9721 21 K 4.2650 7.8660 119.2684 59.4922 31.7631 178.5866 22 D 4.3161 7.8875 117.9067 57.4200 40.9456 178.3368 23 I 3.6982 7.3181 118.3496 61.9677 37.0205 176.9420 24 G 3.8469 7.5456 107.1720 46.0838 0.0000 173.8190 25 W 4.7948 8.7051 117.6844 56.2402 29.2440 177.0351 26 N 4.9868 8.1992 114.8815 53.1266 37.3667 175.5899 27 D 4.6792 8.1014 119.3715 55.9010 40.4014 177.5444 28 W 4.7745 8.2697 119.1231 58.4120 29.7600 175.9918 29 I 4.4642 7.7113 119.8784 60.1674 36.9331 175.8581 30 I 3.9364 8.6375 127.4862 63.7549 37.4382 176.5939 31 A 4.7091 7.4422 121.3274 50.0532 21.8463 174.0232 32 P 5.0890 0.0000 0.0000 61.6576 32.8858 176.6481 33 S 4.3937 8.9886 112.3087 60.4435 63.0774 174.0398 34 G 3.4322 7.6648 108.1622 45.5943 0.0000 170.4137 35 Y 4.6737 6.2478 116.4524 55.9189 41.9994 174.1670 36 H 4.6924 8.9317 116.8519 55.3056 28.0249 175.3182 37 A 3.9715 8.3867 127.3606 52.4733 19.5733 177.9120 38 N 4.5488 8.3608 113.5115 53.7361 38.1213 171.7838 39 Y 4.9342 8.1325 115.3040 56.7859 41.9159 172.6373 40 C 5.3561 8.7790 116.7049 55.4631 41.9058 173.3351 41 E 4.7445 9.0449 122.5930 55.3365 33.3184 175.3805 42 G 3.9690 8.3100 111.4306 43.9176 0.0000 171.9713 43 E 4.3123 8.0651 120.3744 55.7747 30.1869 175.6188 44 C 5.0355 8.2907 119.4841 53.9908 43.4569 171.8536 45 P 4.5635 0.0000 0.0000 63.2303 31.6272 176.7010 46 S 4.4945 7.9196 113.7473 57.9187 64.4667 173.0379 47 H 4.4152 9.1229 113.1344 58.1911 28.7997 176.2380 48 I 3.8706 7.4649 120.0655 63.0236 38.1598 176.2766 *55 S 4.2722 7.5809 112.9088 58.1915 63.2585 172.9888 56 L 4.3532 7.4929 124.1502 54.5704 43.1618 177.8063 57 S 4.5320 8.2839 116.6985 57.4649 65.4849 174.9775 58 F 3.9582 8.7947 122.7013 61.9661 38.8831 176.3732 59 H 4.3398 8.4609 117.1673 59.5129 29.7225 177.2692 60 S 4.1885 8.0861 117.0713 61.5608 62.6086 176.8423 61 T 3.8669 8.0596 118.6972 66.5784 67.7952 176.5618 62 V 3.4886 7.6160 120.0488 66.2958 31.4720 178.1416 63 I 3.4749 7.8935 119.3974 64.3961 36.9548 178.0117 64 N 4.3713 8.5551 118.0192 56.3727 38.5248 176.4127 65 H 3.9310 8.0299 120.0152 59.6167 30.1215 176.8565 66 Y 3.7672 7.3373 117.7329 60.1481 37.5699 178.2660 67 R 3.9920 7.8194 120.1283 59.8323 30.0948 178.3331 68 M 4.0638 7.8589 117.0821 58.5351 32.0592 178.6973 69 R 4.1368 7.6006 116.2776 56.7114 30.4487 176.8491 70 G 3.8402 7.9642 106.4290 46.7217 0.0000 173.6938 71 H 4.5321 8.2841 116.0231 55.1725 29.5969 174.7854 72 S 4.8918 8.5175 115.8618 56.7757 64.4958 173.0704 73 P 4.7568 0.0000 0.0000 62.3335 30.8242 175.8310 74 F 4.5099 8.2468 116.6963 59.2345 39.9734 178.6406 75 A 3.9248 8.1354 123.7129 55.0624 18.2994 178.1617 76 N 4.4996 8.0009 111.9209 54.7490 39.5345 174.5293 77 L 4.2268 7.2776 120.4537 54.3745 42.6753 175.8328 78 K 4.5239 8.4165 126.6013 54.8120 34.2730 174.6378 79 S 4.7339 8.4018 117.2608 57.3378 63.4277 172.8712 80 C 4.9542 8.9910 124.6800 57.8872 31.6327 172.4805 81 C 4.7481 8.7826 122.8420 56.5197 42.0961 172.8680 82 V 4.7433 8.6048 118.8046 59.0672 36.4623 172.7196 83 P 4.9796 0.0000 0.0000 63.2746 31.3298 176.5967 84 T 4.4805 8.9414 113.8487 61.7800 70.4982 174.7111 85 K 4.4058 7.8052 124.5555 55.7368 34.9138 174.1211 86 L 5.3947 8.6430 127.8513 53.0844 44.0734 176.1150 87 R 4.9038 9.0225 118.5587 53.7297 33.2524 173.0017 88 P 5.0326 0.0000 0.0000 62.6132 33.3166 174.5652 89 M 4.8527 8.7211 118.6213 53.6539 36.0913 173.8166 90 S 4.8562 8.7429 119.8143 58.5889 63.3599 172.9989 91 M 4.9204 9.4008 126.7599 53.3933 35.8563 174.1389 92 L 5.1502 8.6767 124.3692 53.5080 44.4930 174.8084 93 Y 5.2232 8.2698 123.3420 55.9377 42.0582 173.2030 94 Y 5.0414 8.7436 118.8659 57.3579 39.2748 175.9885 95 D 4.7433 8.5728 123.9572 51.7551 41.6181 176.5029 96 D 4.2012 8.6417 117.9292 56.5746 38.8945 177.6486 97 G 3.7174 8.1921 105.7737 45.2742 0.0000 173.6204 98 Q 3.7531 8.3152 117.8463 56.7700 26.7614 173.4446 99 N 4.6409 8.1077 114.8249 52.8953 39.4715 174.3042 100 I 4.1568 8.1334 122.4921 60.9846 37.9528 175.2983 101 I 4.2512 8.4218 128.6067 58.9805 40.1505 174.4547 102 K 4.8114 8.3743 127.7145 54.5939 33.9066 175.1427 103 K 4.7646 8.8454 125.6089 54.7919 37.2747 175.1967 104 D 4.9797 8.7430 122.8476 54.4825 41.7045 175.7078 105 I 4.4549 8.9258 124.8588 59.6453 39.6549 175.9268 106 Q 4.5531 8.7376 126.0489 54.6831 30.5197 174.6906 107 N 4.2635 8.5192 113.9522 55.1022 36.2060 175.8355 108 M 4.5154 8.3744 117.7394 56.8304 33.7231 177.2425 109 I 4.7788 7.8807 119.3277 59.0893 40.5908 175.4672 110 V 3.9524 8.6786 127.9207 63.2778 31.2356 174.9426 111 E 4.5931 9.4034 129.2467 57.2655 31.5032 175.9097 112 E 4.8351 7.9779 117.0193 54.8583 34.1381 175.2246 113 C 5.4534 8.5203 120.0495 55.6123 42.2926 173.1233 114 G 4.1760 8.4599 106.7409 45.8544 0.0000 171.7125 115 C 5.3395 8.7807 118.4037 56.0538 41.4532 174.2229 116 S 4.7214 8.4490 116.7697 58.0440 62.4769 173.9810 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 G 8.35 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 0.00 0.00 0.00 2 L 8.30 4.76 0.00 1.80 1.44 0.92 0.69 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 3 E 9.52 4.75 0.00 1.78 1.70 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 2.15 1.89 0.00 4 C 8.85 4.45 0.00 2.93 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 5 D 8.68 4.47 0.00 2.69 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 *9 N 8.02 5.03 0.00 2.66 2.93 0.00 0.00 6.77 7.49 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 10 I 7.68 4.24 1.87 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 1.23 0.40 0.91 0.00 0.00 11 C 8.77 4.52 0.00 3.02 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 12 C 9.27 5.04 0.00 3.13 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 13 K 8.03 4.67 0.00 1.87 1.70 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.35 7.81 14 K 8.65 4.53 0.00 0.79 1.14 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.14 7.81 15 Q 8.52 4.66 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 16 F 9.21 5.06 0.00 3.42 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 17 F 8.59 4.25 0.00 2.61 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 18 V 7.19 3.64 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 0.20 0.00 0.00 0.51 0.00 0.00 19 S 7.81 4.66 0.00 3.94 3.78 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 20 F 8.90 4.53 0.00 3.38 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.87 4.26 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 22 D 7.89 4.32 0.00 2.74 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 23 I 7.32 3.70 1.32 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.32 -0.50 0.00 0.00 24 G 7.55 3.85 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 0.00 0.00 0.00 25 W 8.71 4.79 0.00 3.36 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 26 N 8.20 4.99 0.00 2.97 3.11 0.00 0.00 6.20 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 27 D 8.10 4.68 0.00 2.97 2.91 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 28 W 8.27 4.77 0.00 3.30 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 29 I 7.71 4.46 1.77 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.42 0.63 0.00 0.00 30 I 8.64 3.94 1.79 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.06 0.84 0.00 0.00 31 A 7.44 4.71 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 32 P 0.00 5.09 0.00 2.56 2.24 0.00 3.95 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 2.33 2.11 0.00 33 S 8.99 4.39 0.00 4.17 4.30 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 34 G 7.66 3.43 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 0.00 35 Y 6.25 4.67 0.00 3.03 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 36 H 8.93 4.69 0.00 3.11 3.57 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.39 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.36 4.55 0.00 2.92 2.97 0.00 0.00 6.69 7.46 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 39 Y 8.13 4.93 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 40 C 8.78 5.36 0.00 2.91 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 41 E 9.04 4.74 0.00 2.25 1.79 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 2.26 2.35 0.00 42 G 8.31 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 43 E 8.07 4.31 0.00 1.99 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 2.32 2.42 0.00 44 C 8.29 5.04 0.00 3.02 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 45 P 0.00 4.56 0.00 2.05 1.99 0.00 3.68 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 2.04 2.08 0.00 46 S 7.92 4.49 0.00 3.80 3.72 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 47 H 9.12 4.42 0.00 3.32 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.46 3.87 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.20 0.86 0.00 0.00 *55 S 7.58 4.27 0.00 4.01 3.96 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 56 L 7.49 4.35 0.00 1.65 1.64 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.53 0.00 4.13 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 58 F 8.79 3.96 0.00 3.22 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 59 H 8.46 4.34 0.00 3.36 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.09 4.19 0.00 3.90 3.93 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 61 T 8.06 3.87 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 1.06 0.00 0.00 62 V 7.62 3.49 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 1.07 0.00 0.00 0.85 0.00 0.00 63 I 7.89 3.47 2.00 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 1.46 0.95 1.01 0.00 0.00 64 N 8.56 4.37 0.00 2.98 2.88 0.00 0.00 6.88 7.47 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 65 H 8.03 3.93 0.00 3.06 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.34 3.77 0.00 2.07 2.31 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 67 R 7.82 3.99 0.00 2.09 2.09 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 68 M 7.86 4.06 0.00 1.97 2.11 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 2.71 2.57 0.00 69 R 7.60 4.14 0.00 1.74 2.00 0.00 2.83 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 70 G 7.96 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 71 H 8.28 4.53 0.00 3.75 3.56 0.00 5.80 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 72 S 8.52 4.89 0.00 3.96 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 73 P 0.00 4.76 0.00 2.01 2.02 0.00 2.83 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 74 F 8.25 4.51 0.00 3.51 3.18 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 0.00 0.00 0.00 75 A 8.14 3.92 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 76 N 8.00 4.50 0.00 2.69 2.83 0.00 0.00 6.90 7.78 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 77 L 7.28 4.23 0.00 1.45 1.66 0.92 0.67 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 78 K 8.42 4.52 0.00 1.77 1.69 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.43 7.81 79 S 8.40 4.73 0.00 3.96 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 80 C 8.99 4.95 0.00 2.90 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 81 C 8.78 4.75 0.00 3.11 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 82 V 8.60 4.74 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 0.65 0.00 0.00 1.06 0.00 0.00 83 P 0.00 4.98 0.00 1.98 2.03 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 84 T 8.94 4.48 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 1.27 0.00 0.00 85 K 7.81 4.41 0.00 1.83 1.69 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 86 L 8.64 5.39 0.00 1.59 1.61 0.97 0.97 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 87 R 9.02 4.90 0.00 1.83 2.01 0.00 2.80 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 88 P 0.00 5.03 0.00 2.10 2.31 0.00 3.73 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 1.98 1.97 0.00 89 M 8.72 4.85 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 90 S 8.74 4.86 0.00 4.06 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 91 M 9.40 4.92 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 92 L 8.68 5.15 0.00 1.70 1.57 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.27 5.22 0.00 3.14 2.91 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 94 Y 8.74 5.04 0.00 2.85 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 95 D 8.57 4.74 0.00 2.91 2.84 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 96 D 8.64 4.20 0.00 2.69 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 97 G 8.19 3.72 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 0.00 0.00 0.00 98 Q 8.32 3.75 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 99 N 8.11 4.64 0.00 2.89 2.69 0.00 0.00 7.04 7.35 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 0.00 100 I 8.13 4.16 1.77 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 1.11 0.46 0.71 0.00 0.00 101 I 8.42 4.25 0.74 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 1.09 0.94 0.54 0.00 0.00 102 K 8.37 4.81 0.00 1.61 1.58 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.38 7.81 103 K 8.85 4.76 0.00 1.92 1.74 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.41 7.81 104 D 8.74 4.98 0.00 2.57 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 0.00 105 I 8.93 4.45 1.81 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 1.38 0.87 0.83 0.00 0.00 106 Q 8.74 4.55 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 107 N 8.52 4.26 0.00 2.90 2.94 0.00 0.00 6.84 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 0.00 108 M 8.37 4.52 0.00 1.74 2.18 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 109 I 7.88 4.78 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.04 1.05 0.00 0.00 110 V 8.68 3.95 2.14 0.00 0.00 0.00 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 1.02 0.00 0.00 111 E 9.40 4.59 0.00 1.97 2.15 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 2.25 2.32 0.00 112 E 7.98 4.84 0.00 1.92 1.77 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 2.30 2.34 0.00 113 C 8.52 5.45 0.00 2.81 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 0.00 114 G 8.46 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 115 C 8.78 5.34 0.00 2.89 3.05 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 0.00 116 S 8.45 4.72 0.00 3.96 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 * Residues marked with a * may have inaccurate shift predictions.