NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 I 4.0449 8.0249 121.4436 60.1033 38.6144 175.2483 20 P 4.0362 0.0000 0.0000 62.2135 32.0801 175.7558 21 A 4.0604 8.6224 124.8080 55.2859 19.1554 179.6046 22 S 4.3103 8.0342 111.5747 60.6459 63.2015 175.9528 23 E 3.9936 8.1109 123.4747 59.7929 29.1800 179.0410 24 Q 4.2997 7.9672 115.2818 58.4096 28.4707 177.3879 25 E 4.3534 8.1817 119.4290 56.2767 30.4854 176.4953 26 T 4.0706 7.5266 117.5562 63.9018 69.7580 173.2039 27 L 5.0777 8.5821 125.7687 54.0189 43.6539 176.0733 28 V 4.8850 9.1773 115.8031 59.8938 36.8907 174.7833 29 R 4.9766 8.9905 122.9716 53.7300 31.7442 173.6874 30 P 4.7077 0.0000 0.0000 62.5716 32.1432 176.9184 31 K 4.2474 8.9568 123.2116 55.4515 33.3193 176.3940 32 P 4.1930 0.0000 0.0000 65.9786 31.2334 178.8346 33 L 3.8889 7.7832 118.3944 57.9375 42.1226 178.4930 34 L 3.7853 7.7733 119.8485 57.9797 41.9951 178.3592 35 L 3.8497 8.1469 120.6237 58.0748 42.0427 178.8165 36 K 3.8496 8.1203 119.4478 59.5271 31.8818 178.7310 37 L 3.8120 7.4031 117.7211 57.6628 41.8388 179.1764 38 L 3.9884 7.8073 118.8717 57.8183 41.5607 179.8642 39 K 4.4810 8.5056 119.9351 58.5630 31.7115 179.4695 40 S 4.3368 7.8345 113.6793 60.3133 62.8059 175.3655 41 V 4.3043 7.4343 114.3195 61.3512 31.7230 176.4595 42 G 4.0251 8.0137 107.5082 44.9873 0.0000 174.8241 43 A 3.8225 7.5226 122.9767 52.2672 18.8042 177.9679 44 Q 4.5511 8.5613 117.7056 55.3365 30.7985 175.6842 45 K 4.4114 7.6490 116.8084 54.9480 34.1723 175.5377 46 D 4.9622 8.2297 117.7233 54.4683 42.4538 176.8156 47 T 4.9729 7.1619 108.2619 60.1619 71.7522 172.8090 48 Y 5.1246 8.9921 120.9447 56.5904 43.2788 174.5646 49 T 4.6846 9.1925 111.5455 61.6131 70.2504 175.9423 50 M 4.0667 8.9492 122.8808 58.1667 31.8258 178.9542 51 K 3.8791 8.3224 120.2289 59.7137 32.2543 178.5956 52 E 3.9187 8.2016 118.5604 59.3647 29.3723 179.4510 53 V 3.4945 7.8902 118.1722 66.0706 31.5694 178.0214 54 L 3.8642 8.1983 119.0387 57.5967 41.3240 179.3138 55 F 3.9872 8.3095 120.5588 61.6300 39.2984 176.8830 56 Y 4.0424 8.1589 116.6757 60.9092 37.5294 178.3998 57 L 4.0199 8.2521 120.3386 57.7732 41.7144 179.7679 58 G 3.5070 8.0947 105.5804 47.9079 0.0000 175.7149 59 Q 3.8613 7.8799 120.6866 58.6211 28.6662 178.2721 60 Y 3.9293 8.1749 120.7289 60.7529 38.8353 178.1055 61 I 3.7058 8.1176 120.9622 64.5885 37.2276 178.1552 62 M 4.0276 8.4250 119.4699 58.9985 31.9622 178.4619 63 T 3.9189 8.1603 108.7761 64.0735 68.9713 175.5495 64 K 4.1756 7.5463 118.5328 54.8682 32.6247 176.4119 65 R 3.8545 7.6120 117.2016 57.4002 28.1450 177.0130 66 L 4.3703 8.1513 117.3016 56.0231 43.0766 176.4124 67 Y 5.1988 8.0970 122.9417 56.5441 40.4487 175.3997 68 D 4.5191 8.4952 127.4017 51.0161 42.4587 174.4796 69 E 3.3383 7.5024 130.4331 55.3516 29.6524 177.0302 *71 Q 4.3419 7.8792 111.7647 56.2194 29.6896 175.1922 72 Q 3.4738 8.4173 109.2060 56.9355 27.6483 174.3778 73 H 4.1737 7.5559 110.8061 57.3018 26.9026 174.3150 74 I 4.7053 7.3839 119.1722 59.5557 40.3418 176.7269 75 V 4.5163 8.0090 126.6982 61.7493 33.0104 173.9879 76 Y 4.7312 8.8758 126.8541 56.2587 39.1494 175.2524 77 C 5.0523 9.1516 118.4869 57.9952 31.4144 176.4661 78 S 4.2445 8.8477 118.2977 61.6049 63.0025 174.7707 79 N 5.1080 7.8986 118.1882 50.9372 38.4760 178.1645 80 D 4.8298 7.7959 119.7002 52.7260 44.8482 176.1204 81 L 4.2306 8.7151 127.0572 59.5223 40.6555 180.3199 82 L 3.9254 8.7839 120.6811 58.1404 41.9124 179.3341 83 G 3.9385 7.8805 106.5583 46.9326 0.0000 175.4185 84 D 4.4086 7.8918 119.8531 56.8434 40.9692 178.1734 85 L 4.0864 8.0428 120.3021 58.3427 42.2757 178.7387 86 F 4.7525 8.3914 116.0566 57.8448 39.0143 176.7563 87 G 3.9950 8.6175 106.0891 46.0070 0.0000 173.5179 88 V 4.6470 7.4689 111.2568 58.5972 35.5756 174.5656 89 P 4.7249 0.0000 0.0000 65.0998 32.6364 175.4063 90 S 5.1185 7.9082 112.8362 58.0130 65.5672 173.8168 91 F 4.8823 7.9419 113.7542 55.9936 41.5144 172.9196 92 S 4.8722 8.6698 115.2511 57.7307 63.0190 175.5412 93 V 3.9678 8.7038 120.7368 63.8516 31.4885 177.6303 94 K 4.1631 7.7894 118.1291 58.3928 32.7534 178.2885 95 E 4.4209 8.0484 121.5958 55.4539 26.0439 176.6531 96 H 4.3367 8.0594 119.6419 58.6601 29.4261 177.3858 97 R 3.9280 8.0237 120.1703 59.3950 30.0132 178.5218 98 K 3.9223 8.0214 117.7684 59.5224 32.0386 179.2511 99 I 3.2229 7.8176 119.9499 64.3630 36.9399 177.9417 100 Y 3.9241 8.2131 117.7038 61.4694 37.6230 178.9685 101 T 3.9210 8.0344 116.3822 67.0891 68.3539 176.6141 102 M 3.8252 7.6148 119.2145 58.1190 31.9826 178.7063 103 I 3.8847 7.5834 120.0513 64.6950 37.1663 178.0981 104 Y 4.0046 8.4167 117.8755 61.0669 37.4361 178.8688 105 R 4.1281 7.8551 117.6602 58.1046 30.2072 176.9193 106 N 5.1821 8.2554 116.6896 52.3265 39.9979 174.0089 107 L 4.9819 7.6877 118.3372 54.9392 44.3053 174.4661 108 V 4.4853 8.5100 118.9021 60.7417 34.1341 174.9189 109 V 4.1838 8.5526 127.9405 62.9131 32.4048 175.7760 110 V 3.9216 8.5333 126.4870 63.2363 31.0119 175.6000 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 19 I 8.02 4.04 1.85 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 1.33 1.06 0.63 0.00 0.00 20 P 0.00 4.04 0.00 2.19 1.94 0.00 3.45 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 2.03 2.08 0.00 21 A 8.62 4.06 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 22 S 8.03 4.31 0.00 4.07 4.14 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 23 E 8.11 3.99 0.00 2.04 1.97 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 2.19 2.06 0.00 24 Q 7.97 4.30 0.00 2.41 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 25 E 8.18 4.35 0.00 2.11 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 2.33 2.37 0.00 26 T 7.53 4.07 4.42 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 1.35 0.00 0.00 27 L 8.58 5.08 0.00 1.63 1.60 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.18 4.89 2.05 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 0.64 0.00 0.00 1.02 0.00 0.00 29 R 8.99 4.98 0.00 1.84 1.88 0.00 3.15 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 30 P 0.00 4.71 0.00 1.94 1.92 0.00 4.07 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 31 K 8.96 4.25 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.50 7.81 32 P 0.00 4.19 0.00 2.14 2.11 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 33 L 7.78 3.89 0.00 1.72 1.62 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.77 3.79 0.00 1.73 1.73 0.77 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.15 3.85 0.00 1.99 1.70 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.12 3.85 0.00 1.91 1.93 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 37 L 7.40 3.81 0.00 1.53 1.09 0.24 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.81 3.99 0.00 1.57 1.31 0.28 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.51 4.48 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.47 7.81 40 S 7.83 4.34 0.00 4.13 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 0.00 41 V 7.43 4.30 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 0.82 0.00 0.00 1.20 0.00 0.00 42 G 8.01 4.03 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 0.00 0.00 0.00 43 A 7.52 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.56 4.55 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 45 K 7.65 4.41 0.00 0.79 1.30 0.00 1.43 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.24 7.81 46 D 8.23 4.96 0.00 2.59 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 47 T 7.16 4.97 4.22 0.00 0.00 0.00 0.00 0.00 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 48 Y 8.99 5.12 0.00 2.95 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 49 T 9.19 4.68 4.47 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 0.00 0.00 0.00 1.25 0.00 0.00 50 M 8.95 4.07 0.00 2.13 2.43 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.77 0.00 51 K 8.32 3.88 0.00 1.96 1.84 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.50 7.81 52 E 8.20 3.92 0.00 2.54 2.42 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 2.44 2.41 0.00 53 V 7.89 3.49 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 0.96 0.00 0.00 0.86 0.00 0.00 54 L 8.20 3.86 0.00 1.86 1.63 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.31 3.99 0.00 3.04 2.89 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 56 Y 8.16 4.04 0.00 2.96 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 57 L 8.25 4.02 0.00 1.82 1.68 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.09 3.51 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 0.00 0.00 0.00 59 Q 7.88 3.86 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 1.32 1.84 0.00 60 Y 8.17 3.93 0.00 3.10 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 61 I 8.12 3.71 2.02 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 1.52 0.66 0.93 0.00 0.00 62 M 8.42 4.03 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 63 T 8.16 3.92 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 1.22 0.00 0.00 64 K 7.55 4.18 0.00 1.52 1.65 0.00 1.20 0.00 0.00 0.64 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 1.02 7.81 65 R 7.61 3.85 0.00 1.93 1.98 0.00 3.12 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 66 L 8.15 4.37 0.00 1.65 1.91 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.10 5.20 0.00 2.82 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 68 D 8.50 4.52 0.00 2.38 2.52 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 69 E 7.50 3.34 0.00 1.64 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 0.00 2.31 2.29 0.00 *71 Q 7.88 4.34 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 72 Q 8.42 3.47 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.48 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 73 H 7.56 4.17 0.00 3.45 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.38 4.71 1.75 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 1.01 1.19 -0.08 0.00 0.00 75 V 8.01 4.52 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 0.79 0.00 0.00 0.72 0.00 0.00 76 Y 8.88 4.73 0.00 2.87 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 77 C 9.15 5.05 0.00 3.09 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 78 S 8.85 4.24 0.00 4.06 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 0.00 79 N 7.90 5.11 0.00 2.73 2.68 0.00 0.00 6.38 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 80 D 7.80 4.83 0.00 2.75 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 81 L 8.72 4.23 0.00 1.69 1.67 0.92 0.36 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 82 L 8.78 3.93 0.00 1.62 1.79 -0.21 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.88 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 84 D 7.89 4.41 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.09 0.00 1.54 1.63 0.89 0.49 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 86 F 8.39 4.75 0.00 3.00 2.93 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 87 G 8.62 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 0.00 0.00 0.00 88 V 7.47 4.65 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 0.99 0.00 0.00 1.18 0.00 0.00 89 P 0.00 4.72 0.00 2.20 2.36 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 90 S 7.91 5.12 0.00 3.45 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 91 F 7.94 4.88 0.00 3.16 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 92 S 8.67 4.87 0.00 3.97 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 93 V 8.70 3.97 2.02 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 0.44 0.00 0.00 1.09 0.00 0.00 94 K 7.79 4.16 0.00 2.01 1.86 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.47 1.28 7.81 95 E 8.05 4.42 0.00 2.26 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 2.35 2.41 0.00 96 H 8.06 4.34 0.00 3.24 3.49 0.00 5.64 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 97 R 8.02 3.93 0.00 1.98 1.93 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.29 0.00 98 K 8.02 3.92 0.00 2.07 1.75 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.10 7.81 99 I 7.82 3.22 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.73 0.00 0.00 100 Y 8.21 3.92 0.00 3.34 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 0.00 101 T 8.03 3.92 4.35 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 1.16 0.00 0.00 102 M 7.61 3.83 0.00 0.59 0.94 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 103 I 7.58 3.88 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.60 0.70 0.00 0.00 104 Y 8.42 4.00 0.00 3.18 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 0.00 105 R 7.86 4.13 0.00 1.89 2.01 0.00 3.08 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 106 N 8.26 5.18 0.00 2.83 2.78 0.00 0.00 6.34 6.29 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 0.00 107 L 7.69 4.98 0.00 1.65 1.55 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.51 4.49 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 0.99 0.00 0.00 0.95 0.00 0.00 109 V 8.55 4.18 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 0.92 0.00 0.00 1.18 0.00 0.00 110 V 8.53 3.92 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 0.76 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.