NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.8845 8.4104 110.3402 61.5790 69.0691 171.5211 4 A 4.1755 8.1127 135.0000 53.3040 22.6211 176.2261 5 Y 4.1393 8.4352 113.1862 59.5804 39.7037 175.8598 6 D 4.6277 8.0851 121.3184 54.4321 40.4909 178.2172 7 V 4.0832 7.7895 118.5412 64.2033 34.2685 175.7834 8 I 4.2238 7.8706 119.8186 65.7760 36.4961 177.9860 9 L 3.6311 6.7198 120.6310 56.7404 42.4241 178.0089 10 A 4.7554 7.8257 119.0941 50.5957 22.2569 172.6355 11 P 5.3486 0.0000 0.0000 60.8468 33.0557 174.6826 12 V 3.4173 7.6864 107.4949 61.4053 32.1340 176.0557 13 L 3.8794 7.8345 123.0328 53.2953 38.7996 174.1894 14 S 4.6259 6.0263 117.9730 56.3963 64.2226 177.2910 15 E 3.4724 7.2997 118.0413 60.5483 28.7602 178.6290 16 K 3.7319 7.9601 123.8454 60.0722 32.8602 177.5953 17 A 3.7000 7.0677 119.8786 53.0784 17.6498 178.6419 18 Y 3.1543 7.4224 112.8911 61.1625 38.4685 180.1179 19 A 3.8737 7.8173 120.7547 55.0219 19.0513 178.9296 20 G 3.4865 8.1117 105.0195 47.4199 0.0000 175.3388 21 F 4.2640 9.1245 117.6468 58.1421 39.0984 176.2259 22 A 4.0826 7.5282 123.5682 54.9692 19.0030 178.1715 23 E 4.8039 7.5566 116.9071 55.9681 31.4634 178.8104 24 G 4.1664 8.4670 103.5843 46.7837 0.0000 172.5428 25 K 5.2077 7.3748 118.8309 55.1906 36.5665 176.1309 26 Y 4.4732 8.3310 119.1459 56.3135 42.4748 174.6932 27 T 4.7735 8.2090 112.6224 58.0449 69.4445 172.3911 28 F 4.6066 7.0945 124.5778 55.0292 41.7409 175.2438 29 W 5.1705 7.6795 120.4375 57.4754 30.0022 175.7467 30 V 5.2619 8.2798 112.3533 61.0594 35.0410 173.4215 31 H 4.6401 9.0909 121.0588 55.9490 29.9597 174.3844 32 P 3.6781 0.0000 0.0000 65.7103 32.5405 176.8059 33 K 4.1586 7.2106 121.1500 55.4859 30.8121 177.9235 34 A 4.7393 7.2872 120.5620 49.7744 20.1594 176.7369 35 T 4.0279 8.2682 118.1293 64.6244 70.4940 174.0416 36 K 4.4271 8.3431 122.2923 57.9276 33.2469 178.0742 37 T 4.3412 7.5539 118.0701 65.7474 69.3734 176.6358 38 E 3.9849 7.8895 120.0612 59.3685 29.4759 178.9480 39 I 3.7149 7.9604 119.0166 63.4662 37.3258 177.0505 40 K 4.3492 7.6076 118.7739 58.3228 33.0567 177.2940 41 N 4.5480 7.7966 111.9464 54.2462 38.3968 175.8198 42 A 4.5796 7.5733 121.3655 51.6477 20.3558 177.0845 43 V 4.0854 7.8114 115.0883 62.1188 32.6230 175.2449 44 E 4.5493 8.1510 117.8761 57.0582 30.0740 175.4924 45 T 4.3204 7.3738 106.4945 63.8863 70.4954 176.3363 46 A 4.0715 7.5655 125.0612 52.4179 18.6444 177.2705 47 F 4.5350 7.8841 113.9768 55.5357 42.1840 175.7880 48 K 4.4319 8.5751 125.9904 55.8245 30.9533 177.4986 49 V 4.1901 6.9410 123.4913 60.3266 40.0008 173.2899 50 K 4.2902 8.1551 124.6150 56.9369 35.1972 174.2142 51 V 4.0032 8.1146 128.5467 62.9075 32.2394 174.2453 52 V 3.8781 9.7782 124.8545 62.5926 31.3405 175.7756 53 K 4.4695 7.8028 131.0476 54.2156 32.7775 175.8067 54 V 4.0981 8.0875 124.9629 62.6601 33.0221 174.3931 55 N 5.2759 8.6427 121.4219 51.9089 42.9900 173.6610 56 T 5.2512 8.1543 111.3645 60.2107 72.5395 172.9361 57 L 4.3908 8.1971 117.3767 55.2118 43.9236 174.0097 58 H 4.3634 9.2004 120.6630 56.3722 30.2375 175.1249 59 V 4.3568 8.4277 119.2382 62.0812 35.1141 172.7144 60 R 5.3230 8.2063 129.3181 54.7134 30.5741 176.3506 61 G 3.6657 8.6679 116.0898 45.1314 0.0000 172.8824 62 K 3.9395 8.4196 121.9076 56.2860 33.7878 174.8563 63 K 4.7944 8.4496 122.0488 54.9505 33.6881 175.3104 64 K 4.7682 8.3665 125.1198 54.9553 36.6055 175.2926 65 R 4.2917 8.7490 119.5679 56.8962 32.7285 173.2384 66 L 5.3996 8.1806 132.1792 56.3861 46.6468 174.9045 67 G 4.1537 8.2121 119.4304 46.9408 0.0000 173.7016 68 R 4.3576 9.1057 120.4122 55.5027 29.2881 174.9625 69 Y 4.2146 7.9980 118.4413 56.8942 37.7650 173.7945 70 L 4.9115 8.3030 127.2788 53.4692 43.7890 176.0139 71 G 4.0180 9.1399 114.2664 45.4869 0.0000 171.1679 72 K 4.8823 8.4492 120.8455 54.8675 36.5164 176.5804 73 R 4.0162 8.5489 124.1708 55.2597 30.3300 174.6815 74 P 4.0345 0.0000 0.0000 62.2731 31.7638 175.3137 75 D 4.6107 8.6251 122.3966 54.3716 42.5351 175.6735 76 R 4.9347 8.4965 120.3571 54.3909 34.9704 173.5450 77 K 5.0167 8.6269 119.2580 54.9884 35.7039 175.6566 78 K 5.2291 8.5420 124.4994 55.5526 36.0344 174.6499 79 A 4.9208 8.4547 120.2872 51.1215 22.9542 175.5275 80 I 4.9382 8.0492 113.4178 58.9263 39.9611 175.1132 81 V 4.3736 7.9099 115.9215 59.7786 34.7627 174.6375 82 Q 5.3728 8.6827 127.6606 54.4846 29.1105 174.4712 83 V 4.0534 8.2823 125.8317 61.7930 32.5455 175.1542 84 A 4.2543 8.7222 128.6921 51.2511 19.5919 175.6220 85 P 4.3932 0.0000 0.0000 64.1393 32.1161 176.0442 86 G 4.3228 8.9970 113.4340 46.0921 0.0000 174.4779 87 Q 4.0200 7.1589 118.6027 55.6559 29.0379 176.7336 88 K 4.4966 8.4199 121.2342 54.9870 34.6210 176.0018 89 I 3.8649 9.2337 126.3734 61.6890 36.4015 176.7216 90 E 4.0227 8.7074 125.9364 58.4341 30.1084 178.2916 91 A 4.1560 8.2624 120.9437 55.3970 18.5873 178.7604 92 L 4.2329 8.1155 113.7772 58.1266 41.9289 177.2352 93 E 3.5364 7.2255 121.2748 55.8748 27.6716 175.5732 94 G 3.8449 7.5287 115.1575 46.5810 0.0000 171.7829 *95 L 4.1219 7.8253 125.0779 53.6355 41.6291 178.8089 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 3 T 8.41 4.88 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 4 A 8.11 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.14 0.00 3.08 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 6 D 8.09 4.63 0.00 2.71 2.66 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 0.00 7 V 7.79 4.08 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 1.13 0.00 0.00 0.93 0.00 0.00 8 I 7.87 4.22 1.59 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.06 0.09 0.00 0.00 9 L 6.72 3.63 0.00 1.79 1.70 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.83 4.76 1.56 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 0.00 0.00 11 P 0.00 5.35 0.00 2.42 2.27 0.00 4.06 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 12 V 7.69 3.42 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 0.73 0.00 0.00 1.07 0.00 0.00 13 L 7.83 3.88 0.00 1.98 1.88 1.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.03 4.63 0.00 3.86 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 15 E 7.30 3.47 0.00 2.01 1.78 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 2.37 2.44 0.00 16 K 7.96 3.73 0.00 1.68 1.70 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.43 7.81 17 A 7.07 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.42 3.15 0.00 3.04 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 19 A 7.82 3.87 1.21 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 0.00 0.00 20 G 8.11 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 21 F 9.12 4.26 0.00 3.01 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 22 A 7.53 4.08 1.28 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 0.00 0.00 0.00 23 E 7.56 4.80 0.00 1.88 1.74 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 2.18 2.31 0.00 24 G 8.47 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 5.21 0.00 1.71 1.44 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.38 7.81 26 Y 8.33 4.47 0.00 2.25 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 27 T 8.21 4.77 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 0.91 0.00 0.00 28 F 7.09 4.61 0.00 3.16 3.12 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 29 W 7.68 5.17 0.00 3.39 3.20 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 30 V 8.28 5.26 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 0.82 0.00 0.00 1.03 0.00 0.00 31 H 9.09 4.64 0.00 3.06 3.23 0.00 5.96 0.00 0.00 0.00 0.00 6.87 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 3.68 0.00 1.96 1.92 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 33 K 7.21 4.16 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.37 7.81 34 A 7.29 4.74 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 35 T 8.27 4.03 4.31 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 1.27 0.00 0.00 36 K 8.34 4.43 0.00 1.91 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.53 7.81 37 T 7.55 4.34 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 1.21 0.00 0.00 38 E 7.89 3.98 0.00 2.15 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 2.41 2.41 0.00 39 I 7.96 3.71 1.93 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 1.48 0.76 0.98 0.00 0.00 40 K 7.61 4.35 0.00 1.80 1.89 0.00 1.72 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.50 7.81 41 N 7.80 4.55 0.00 2.72 2.84 0.00 0.00 6.94 8.33 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 42 A 7.57 4.58 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 43 V 7.81 4.09 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 0.41 0.00 0.00 0.78 0.00 0.00 44 E 8.15 4.55 0.00 2.15 1.92 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 2.28 2.33 0.00 45 T 7.37 4.32 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 1.25 0.00 0.00 46 A 7.57 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.88 4.54 0.00 3.03 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 48 K 8.58 4.43 0.00 1.75 1.79 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.41 7.81 49 V 6.94 4.19 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 0.61 0.00 0.00 1.01 0.00 0.00 50 K 8.16 4.29 0.00 1.79 1.62 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.64 7.81 51 V 8.11 4.00 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 0.80 0.00 0.00 0.93 0.00 0.00 52 V 9.78 3.88 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 0.79 0.00 0.00 0.97 0.00 0.00 53 K 7.80 4.47 0.00 1.75 1.68 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.44 7.81 54 V 8.09 4.10 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 0.93 0.00 0.00 0.94 0.00 0.00 55 N 8.64 5.28 0.00 2.59 2.59 0.00 0.00 6.75 6.92 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 56 T 8.15 5.25 4.26 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 1.22 0.00 0.00 57 L 8.20 4.39 0.00 1.71 1.77 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.20 4.36 0.00 3.05 3.33 0.00 5.74 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.43 4.36 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 0.95 0.00 0.00 1.09 0.00 0.00 60 R 8.21 5.32 0.00 1.85 1.84 0.00 3.12 0.00 0.00 3.89 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.01 0.00 61 G 8.67 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 62 K 8.42 3.94 0.00 1.72 1.81 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.49 7.81 63 K 8.45 4.79 0.00 1.75 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.65 7.81 64 K 8.37 4.77 0.00 1.81 1.65 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.34 7.81 65 R 8.75 4.29 0.00 1.71 1.80 0.00 3.57 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 66 L 8.18 5.40 0.00 2.05 1.65 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.21 4.15 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 0.00 68 R 9.11 4.36 0.00 1.73 1.97 0.00 2.21 0.00 0.00 2.55 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 69 Y 8.00 4.21 0.00 3.05 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 70 L 8.30 4.91 0.00 1.63 1.53 0.92 1.01 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 71 G 9.14 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 72 K 8.45 4.88 0.00 1.59 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.47 7.81 73 R 8.55 4.02 0.00 1.96 1.83 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 74 P 0.00 4.03 0.00 2.11 2.05 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 75 D 8.63 4.61 0.00 2.71 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 76 R 8.50 4.93 0.00 1.71 1.77 0.00 3.03 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.44 0.00 77 K 8.63 5.02 0.00 1.61 1.58 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.33 7.81 78 K 8.54 5.23 0.00 1.58 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.65 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.52 1.34 7.81 79 A 8.45 4.92 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 80 I 8.05 4.94 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.22 0.77 0.00 0.00 81 V 7.91 4.37 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 0.87 0.00 0.00 0.92 0.00 0.00 82 Q 8.68 5.37 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 83 V 8.28 4.05 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 0.88 0.00 0.00 0.99 0.00 0.00 84 A 8.72 4.25 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 85 P 0.00 4.39 0.00 2.20 2.09 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 86 G 9.00 4.32 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 0.00 87 Q 7.16 4.02 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 88 K 8.42 4.50 0.00 1.86 1.81 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 89 I 9.23 3.86 1.99 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 1.10 0.00 0.00 90 E 8.71 4.02 0.00 1.95 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 2.46 2.24 0.00 91 A 8.26 4.16 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 92 L 8.12 4.23 0.00 1.87 1.98 1.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.23 3.54 0.00 1.84 1.72 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 1.58 2.22 0.00 94 G 7.53 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 *95 L 7.83 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.