NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 M 4.4950 8.3049 118.7921 54.0874 32.5400 175.1584 1 Q 4.0728 8.4383 124.0637 54.2953 29.4917 174.8146 2 S 4.4934 9.1621 118.3108 58.9573 65.1311 173.0799 3 T 4.5025 8.9779 117.8428 62.1114 70.8757 174.3667 4 V 4.5709 8.1689 124.8738 61.7483 32.8541 174.6457 5 H 4.8095 9.4083 126.5525 55.2039 30.7381 174.8782 6 I 4.6232 8.4334 123.2789 59.4643 38.4624 175.5123 7 V 2.0000 7.7981 128.4267 63.6806 31.6000 176.3054 8 G 3.8174 5.7213 114.1059 44.9392 0.0000 173.8170 9 D 4.2451 7.7689 121.9804 55.3123 40.6510 177.7257 10 N 4.5554 8.9894 124.6734 57.0802 38.5237 176.1419 11 T 3.9581 8.0398 114.9618 64.3223 68.9500 175.9787 12 G 3.8030 7.7635 108.9208 44.4318 0.0000 171.9395 13 W 4.9767 8.7427 131.6004 56.1805 30.6988 176.0343 14 S 3.9626 8.6141 120.1817 56.9304 65.4927 173.6094 15 V 3.6277 7.8534 120.7099 61.6954 31.4772 173.9477 16 P 4.3702 0.0000 0.0000 61.9146 32.4827 176.4316 17 S 4.2044 8.2864 115.2969 60.6374 63.3043 175.1173 18 S 4.8507 7.6446 116.0048 55.6508 64.7948 173.3137 19 P 4.4267 0.0000 0.0000 65.0066 31.3886 176.5714 20 N 4.8122 8.1023 115.6196 52.7577 38.2648 176.1461 21 F 4.0054 8.4163 122.7087 62.3374 39.2804 176.7069 22 Y 4.3101 8.1134 115.2251 60.4137 37.8856 177.8036 23 S 4.4368 8.3062 114.9725 61.1688 63.2241 176.3460 24 Q 4.0416 8.1431 121.3494 58.3119 28.7620 177.9395 25 W 4.0827 8.0253 129.2931 60.4210 30.7733 177.9880 26 A 3.7786 8.6522 120.6672 54.9325 17.6543 179.1253 27 A 4.2276 7.9758 117.7980 53.9156 18.5592 178.8770 28 G 3.7350 7.4000 102.2807 43.8650 0.0000 173.2539 29 K 4.3084 6.9386 119.2181 54.3330 35.4001 175.2264 30 T 4.3443 7.6146 115.9296 61.7414 71.1233 173.6237 31 F 4.9398 8.5789 124.5872 55.7805 41.5569 174.8627 32 R 5.2158 9.3258 122.4448 53.7625 33.7687 175.6617 33 V 3.8876 8.3424 121.9214 64.9992 31.9039 175.5864 34 G 4.0863 9.3263 114.9217 45.6859 0.0000 173.5758 35 D 4.8521 8.4003 119.6093 54.1437 42.7368 175.4122 36 S 5.2037 9.0624 114.7971 56.9378 67.8933 173.2411 37 L 5.0871 9.0096 121.1058 53.0408 44.5951 175.3920 38 Q 4.9025 9.0382 125.7430 54.4179 31.3322 173.9217 39 F 4.8493 9.5169 125.9776 55.8608 41.3014 174.2663 40 N 5.4331 8.8250 121.5751 51.4489 40.9624 173.8498 41 F 5.3999 8.5326 118.1203 54.9779 41.7505 172.2197 42 P 4.3103 0.0000 0.0000 62.2319 31.7282 175.8465 43 A 4.3033 8.4984 125.2259 53.9001 18.6449 177.8757 44 N 4.4196 8.9814 115.5151 53.9155 38.0007 175.5778 45 A 4.2928 8.0185 119.9794 53.7524 19.5048 176.1895 46 H 4.7504 7.8226 110.3689 54.9969 32.9241 170.5751 47 N 4.8341 7.9136 115.8858 52.4761 40.8222 173.0877 48 V 4.3571 8.0906 117.6334 61.4770 34.1926 174.0846 49 H 4.9375 9.2647 127.3966 54.3294 33.1957 171.5282 50 E 4.5501 8.7170 126.3556 55.7263 30.4631 175.1440 51 M 4.5983 8.6050 126.3281 53.9738 34.0351 176.4733 52 E 4.1067 8.9111 120.7831 59.2549 30.3701 178.0667 53 T 4.6762 7.3647 113.8005 60.9331 73.1977 174.9758 54 K 3.1025 8.1780 123.5141 59.2973 32.2200 179.3651 55 Q 3.9192 7.8301 117.9672 59.0617 28.6953 178.6821 56 S 4.0784 7.9278 115.5918 61.4700 63.0369 176.3013 57 F 4.1622 8.0036 123.0974 61.5687 38.8925 176.8920 58 D 4.2174 8.4544 117.1843 56.8982 40.7309 177.7924 59 A 4.2156 7.8313 118.0928 51.1700 19.6059 176.0765 60 C 3.9557 7.4933 113.8012 57.6676 38.4057 173.4597 61 N 4.3455 7.9866 117.5406 52.3132 39.3268 173.8912 62 F 5.7474 8.1790 123.8829 56.5754 39.5541 178.2532 63 V 3.7967 7.9900 123.3194 64.6283 31.0045 176.4146 64 N 4.8339 8.1045 115.2333 53.0013 38.8044 174.9671 65 S 4.4047 8.3374 116.0074 57.8077 63.8667 173.3459 66 D 4.6486 8.6753 122.6114 53.9493 40.3169 176.4517 67 N 3.8661 8.2955 122.4389 54.3185 39.9360 173.7771 68 D 4.6451 12.0000 115.7285 52.4619 39.8413 175.2576 69 V 4.0653 8.7424 120.8292 61.9255 29.4845 169.3493 70 E 4.6516 7.7802 116.6066 54.8610 30.8871 175.7852 71 R 4.8422 8.4819 123.1870 55.8918 31.4182 175.3096 72 T 4.5318 7.9144 107.3519 61.0275 70.1360 173.5630 73 S 4.4780 7.8841 116.9691 55.6361 65.3811 171.5930 74 P 4.5728 0.0000 0.0000 62.4136 32.9185 175.1726 75 V 4.3688 8.5462 121.3580 61.3925 33.5353 174.3564 76 I 5.0098 8.4559 128.3416 59.6688 39.6481 174.5458 77 E 4.7231 9.3773 127.3163 54.4639 31.9460 175.4118 78 R 4.4423 8.6221 124.5041 55.8840 31.6774 175.9306 79 L 4.4695 9.0102 126.7587 53.8062 41.8170 176.6015 80 D 4.7532 8.7041 124.1199 54.8059 41.9220 176.9916 81 E 4.8042 7.7525 116.3746 53.9724 33.1643 175.4256 82 L 4.2636 8.2269 120.9574 55.2922 42.6811 177.5347 83 G 3.7934 8.8048 107.0110 44.3214 0.0000 172.2893 84 M 4.5554 8.0158 117.8224 55.5523 32.6412 176.0842 85 H 4.4620 8.7399 119.3412 53.9411 33.4745 172.0347 86 Y 4.6818 7.5718 118.0180 56.1065 41.4780 174.4371 87 F 5.4183 9.7006 122.3639 56.0154 43.4356 174.3890 88 V 5.2302 9.2192 114.4385 60.4212 36.9102 173.2067 89 C 5.1374 8.7710 122.3443 57.3340 32.4846 173.4800 90 T 3.6418 8.2114 114.9862 61.0366 69.0886 174.6040 91 V 3.6832 7.4691 123.5154 64.0551 33.1723 175.6497 92 G 3.7358 8.0800 116.2928 47.3445 0.0000 173.5688 93 T 4.5297 8.3386 114.2595 61.3962 69.0986 175.8307 94 H 4.1394 8.3999 122.2989 59.6648 29.1251 177.0555 95 C 4.4537 8.4291 118.7803 59.7917 43.6684 175.6419 96 S 3.8387 8.0854 113.7609 61.1643 62.5011 174.5648 97 N 4.6481 7.7959 116.1389 53.1731 38.1497 175.8351 98 G 4.0894 8.2788 106.7740 45.1827 0.0000 174.9480 99 Q 4.3345 8.1584 123.5944 53.7562 27.3166 174.1173 100 K 5.3602 7.9296 119.4208 55.5518 36.1654 175.6553 101 L 5.2906 10.1064 124.0783 53.8216 45.8195 174.7446 102 S 5.2053 9.1973 120.5330 56.4678 65.4047 173.2080 103 I 4.6661 8.5759 116.4132 59.0337 41.4050 173.3453 104 N 5.1760 8.7558 121.8497 52.0129 40.6198 173.6669 105 V 4.5354 8.7032 127.2086 61.7840 33.4458 175.3437 106 V 4.8056 8.7306 120.6427 58.9779 35.2356 175.0484 107 A 4.4677 8.5071 124.5450 52.3992 18.9126 177.2431 108 A 4.3306 8.4430 123.8349 54.6504 19.9195 178.0582 *109 N 4.5590 8.0506 116.2817 52.6631 37.6751 177.4522 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 M 8.30 4.50 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 1 Q 8.44 4.07 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 2 S 9.16 4.49 0.00 3.75 4.01 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 3 T 8.98 4.50 4.06 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 0.96 0.00 0.00 4 V 8.17 4.57 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 5 H 9.41 4.81 0.00 3.38 3.63 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.43 4.62 1.96 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 1.28 1.09 0.93 0.00 0.00 7 V 7.80 2.00 1.23 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 0.09 0.00 0.00 -0.56 0.00 0.00 8 G 5.72 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 0.00 0.00 0.00 9 D 7.77 4.25 0.00 2.99 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 0.00 0.00 0.00 0.00 10 N 8.99 4.56 0.00 2.78 2.93 0.00 0.00 6.80 7.54 0.00 0.00 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 T 8.04 3.96 4.58 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 0.96 0.00 0.00 12 G 7.76 3.80 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 0.00 0.00 0.00 13 W 8.74 4.98 0.00 3.36 3.33 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 14 S 8.61 3.96 0.00 3.85 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 15 V 7.85 3.63 1.93 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 0.74 0.00 0.00 0.63 0.00 0.00 16 P 0.00 4.37 0.00 2.27 1.73 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 17 S 8.29 4.20 0.00 3.83 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 18 S 7.64 4.85 0.00 3.93 3.80 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 19 P 0.00 4.43 0.00 2.22 2.22 0.00 3.78 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 2.03 1.98 0.00 20 N 8.10 4.81 0.00 2.99 3.14 0.00 0.00 5.88 8.12 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 21 F 8.42 4.01 0.00 3.15 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 22 Y 8.11 4.31 0.00 3.52 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 23 S 8.31 4.44 0.00 4.20 4.34 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 24 Q 8.14 4.04 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 25 W 8.03 4.08 0.00 3.05 3.42 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 26 A 8.65 3.78 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.23 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 28 G 7.40 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 29 K 6.94 4.31 0.00 0.79 0.74 0.00 1.27 0.00 0.00 1.30 0.00 0.00 2.63 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.64 0.23 7.81 30 T 7.61 4.34 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 1.13 0.00 0.00 31 F 8.58 4.94 0.00 3.12 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 32 R 9.33 5.22 0.00 1.73 1.80 0.00 3.13 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 33 V 8.34 3.89 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 0.79 0.00 0.00 1.01 0.00 0.00 34 G 9.33 4.09 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 0.00 0.00 0.00 35 D 8.40 4.85 0.00 2.83 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 36 S 9.06 5.20 0.00 3.73 3.71 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 0.00 0.00 0.00 0.00 37 L 9.01 5.09 0.00 1.28 0.93 0.34 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 9.04 4.90 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 39 F 9.52 4.85 0.00 3.00 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 40 N 8.82 5.43 0.00 2.70 2.74 0.00 0.00 6.64 8.13 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 41 F 8.53 5.40 0.00 3.15 3.35 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 42 P 0.00 4.31 0.00 2.32 2.29 0.00 4.06 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 43 A 8.50 4.30 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 44 N 8.98 4.42 0.00 2.92 3.02 0.00 0.00 6.88 7.00 0.00 0.00 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 A 8.02 4.29 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 46 H 7.82 4.75 0.00 2.37 2.75 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.91 4.83 0.00 2.71 2.87 0.00 0.00 5.34 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 48 V 8.09 4.36 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 -0.39 0.00 0.00 0.05 0.00 0.00 49 H 9.26 4.94 0.00 3.14 3.00 0.00 5.82 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 50 E 8.72 4.55 0.00 1.94 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 1.98 1.69 0.00 51 M 8.60 4.60 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.79 0.00 52 E 8.91 4.11 0.00 1.94 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 2.32 2.40 0.00 53 T 7.36 4.68 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 1.19 0.00 0.00 54 K 8.18 3.10 0.00 1.63 1.70 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.60 1.46 7.81 55 Q 7.83 3.92 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 56 S 7.93 4.08 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 57 F 8.00 4.16 0.00 2.93 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 58 D 8.45 4.22 0.00 2.80 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 59 A 7.83 4.22 1.23 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 60 C 7.49 3.96 0.00 2.89 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 61 N 7.99 4.35 0.00 2.51 2.63 0.00 0.00 6.92 7.32 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 62 F 8.18 5.75 0.00 3.12 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 63 V 7.99 3.80 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 64 N 8.10 4.83 0.00 2.79 2.90 0.00 0.00 6.91 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 65 S 8.34 4.40 0.00 3.82 3.33 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 66 D 8.68 4.65 0.00 2.68 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 67 N 8.30 3.87 0.00 2.92 3.18 0.00 0.00 6.56 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 68 D 12.00 4.65 0.00 2.68 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 0.00 0.00 0.00 69 V 8.74 4.07 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 0.83 0.00 0.00 0.93 0.00 0.00 70 E 7.78 4.65 0.00 2.13 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 2.20 2.32 0.00 71 R 8.48 4.84 0.00 1.92 2.13 0.00 3.22 0.00 0.00 3.61 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 72 T 7.91 4.53 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 1.22 0.00 0.00 73 S 7.88 4.48 0.00 2.72 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 74 P 0.00 4.57 0.00 2.09 2.15 0.00 3.72 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 75 V 8.55 4.37 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 0.89 0.00 0.00 1.11 0.00 0.00 76 I 8.46 5.01 1.88 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 1.34 0.81 0.91 0.00 0.00 77 E 9.38 4.72 0.00 1.73 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 2.20 2.20 0.00 78 R 8.62 4.44 0.00 1.84 1.83 0.00 3.23 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 79 L 9.01 4.47 0.00 1.71 1.58 0.94 0.82 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 80 D 8.70 4.75 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 81 E 7.75 4.80 0.00 1.94 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 2.26 2.31 0.00 82 L 8.23 4.26 0.00 1.64 1.61 0.93 1.02 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 83 G 8.80 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 84 M 8.02 4.56 0.00 1.34 1.84 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 2.59 2.46 0.00 85 H 8.74 4.46 0.00 2.89 2.71 0.00 5.75 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 86 Y 7.57 4.68 0.00 2.80 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 87 F 9.70 5.42 0.00 2.92 2.70 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 0.00 0.00 0.00 88 V 9.22 5.23 2.27 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 1.04 0.00 0.00 1.07 0.00 0.00 89 C 8.77 5.14 0.00 2.66 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 90 T 8.21 3.64 3.46 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 0.38 0.00 0.00 91 V 7.47 3.68 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 0.72 0.00 0.00 0.82 0.00 0.00 92 G 8.08 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 93 T 8.34 4.53 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 1.22 0.00 0.00 94 H 8.40 4.14 0.00 3.22 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.43 4.45 0.00 3.39 3.33 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 96 S 8.09 3.84 0.00 4.02 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 97 N 7.80 4.65 0.00 2.84 2.80 0.00 0.00 7.26 7.24 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 98 G 8.28 4.09 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 0.00 0.00 0.00 99 Q 8.16 4.33 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 100 K 7.93 5.36 0.00 1.81 1.75 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.57 7.81 101 L 10.11 5.29 0.00 2.00 1.82 1.36 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.20 5.21 0.00 3.64 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 0.00 103 I 8.58 4.67 1.12 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.08 0.57 0.00 0.00 104 N 8.76 5.18 0.00 2.73 2.78 0.00 0.00 6.89 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 0.00 105 V 8.70 4.54 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 1.05 0.00 0.00 0.86 0.00 0.00 106 V 8.73 4.81 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 0.69 0.00 0.00 1.01 0.00 0.00 107 A 8.51 4.47 1.25 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 0.00 0.00 108 A 8.44 4.33 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 *109 N 8.05 4.56 0.00 2.76 2.60 0.00 0.00 6.50 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.