NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4018 8.3344 115.4118 58.6754 64.1376 173.1352 5 S 4.4159 8.2886 111.8262 57.7680 62.7574 173.6360 6 S 4.2252 8.5857 116.5671 61.9934 62.8280 175.3395 7 T 3.9737 7.6244 117.7745 66.2388 68.2175 176.8186 8 K 3.9748 7.9849 121.2754 59.0766 32.2526 178.6670 9 K 3.9571 7.7022 119.9479 59.7659 32.1333 178.9864 10 T 3.8696 7.8008 115.5747 66.4574 68.2965 176.3590 11 Q 3.9566 8.1859 121.5200 59.4141 29.0212 178.6134 12 L 4.0108 8.0025 119.7902 57.8344 41.5276 179.6126 13 Q 4.0145 8.1437 118.1180 58.9148 28.6055 178.6756 14 L 4.0289 8.0644 120.0213 57.9548 41.6001 179.5063 15 E 4.0380 8.4786 118.6471 59.3683 29.3187 178.9238 16 H 4.0742 8.5176 118.8346 59.1334 30.0115 177.0707 17 L 3.9653 8.1760 122.2966 58.0349 41.8618 178.4883 18 L 3.9917 8.3076 120.6372 58.3589 41.9625 178.9953 19 L 3.9747 8.1249 118.8360 57.7812 41.5247 179.1189 20 D 4.3789 8.1017 118.8201 57.6118 40.8494 179.0669 21 L 4.0434 8.0582 119.2396 57.8964 41.5056 179.6423 22 Q 4.0362 8.4415 118.3410 59.1066 28.3660 178.7233 23 M 4.0515 8.2431 119.4894 58.2402 32.4072 178.4679 24 I 3.8316 7.6977 119.9514 64.3279 37.2599 177.9039 25 L 3.8916 7.9168 120.9504 58.5123 41.7491 178.5976 26 N 4.3604 8.5221 117.0735 56.6603 38.7667 176.9858 27 G 3.4791 7.8477 106.7550 47.5671 0.0000 175.7371 28 I 2.5337 7.2104 121.7061 63.8580 36.8012 178.0005 29 N 4.3589 7.5695 116.3803 55.4947 38.3847 175.9644 30 N 4.7155 7.5184 115.7972 52.6963 39.7914 175.0562 31 Y 4.5621 6.9887 118.7309 57.9026 38.7105 176.6940 32 K 4.3865 8.4916 122.4664 55.5578 34.5264 177.8312 33 N 4.4084 8.7792 119.4834 56.4256 38.5957 175.6295 34 P 4.3197 0.0000 0.0000 65.4948 31.4201 178.3393 35 K 3.7974 8.0072 117.6171 59.5340 32.1223 178.0875 36 L 4.0560 8.6724 121.3322 58.5830 41.7566 178.9790 37 T 3.8702 8.3584 114.8354 66.7932 68.7666 176.3976 38 R 4.0892 7.8571 119.5101 59.6578 30.0153 178.8037 39 M 4.0884 8.4002 118.1637 58.5760 31.9938 177.4983 40 L 4.4356 7.9465 116.7753 55.9045 42.0449 177.9227 41 T 4.5496 7.6857 109.1271 60.3868 69.3697 174.0232 42 F 4.2670 7.5531 125.4780 57.5459 39.7046 174.8031 43 K 4.5929 7.7725 127.5882 55.5722 33.3748 176.1747 44 F 4.8213 9.0977 122.0471 55.8343 42.3655 174.0419 45 Y 4.6604 9.3655 120.4510 57.5464 39.0212 174.8951 46 M 5.2123 8.8844 122.9993 52.8840 35.0739 173.8013 47 P 4.8099 0.0000 0.0000 62.2392 32.6654 176.5623 48 K 4.0817 9.0658 121.7248 58.8595 32.1509 177.4944 49 K 4.4472 7.7669 117.1604 54.4081 34.5542 175.7888 50 A 4.5110 8.2098 128.5490 51.2316 19.4740 175.2655 51 T 4.7459 8.7590 107.6808 61.2452 70.8606 174.0591 52 E 4.8360 8.1215 120.9283 53.6827 33.6405 176.3531 53 L 4.2559 8.6082 120.4273 58.1388 41.7017 180.0467 54 K 3.9279 7.9192 117.9813 60.0750 32.3169 178.5462 55 H 4.2207 7.9196 117.0332 57.9942 28.5122 177.2619 56 L 3.5666 7.9449 121.1412 57.1803 41.3117 178.9009 57 Q 4.0018 8.0175 119.7166 59.4333 28.7369 177.5508 58 C 4.8061 8.4531 117.8379 58.4916 34.9864 175.1493 59 L 3.8201 7.2235 121.9660 57.3179 41.7720 177.8289 60 E 3.9008 8.0736 119.3117 59.4671 29.3160 178.7345 61 E 4.1335 8.2963 117.5149 58.8028 29.7872 178.0982 62 E 4.6285 7.9543 116.7680 56.4760 29.6550 178.0361 63 L 4.1743 7.9719 122.7045 57.5679 41.6342 179.5000 64 K 3.9857 8.0277 118.0208 59.1558 32.1607 177.2204 65 P 4.6974 0.0000 0.0000 64.8829 31.2046 178.3604 66 L 4.2498 8.0490 118.4892 58.2819 41.8581 178.6286 67 E 3.9403 8.4535 119.5063 59.2452 29.4463 178.4449 68 E 4.0045 8.8195 119.1158 59.5933 29.4006 179.8333 69 V 3.2737 7.3284 118.8666 64.6467 30.8950 178.2872 70 L 4.0123 7.6143 118.7573 57.2818 41.4946 178.8520 71 N 4.4577 8.0578 116.1313 56.2727 38.5850 176.8422 72 L 4.0343 7.5870 118.9701 56.8950 42.2839 178.6099 73 A 4.5160 7.3216 120.2276 53.6689 19.6052 175.6771 74 Q 4.4913 7.9483 125.5584 56.1883 30.9716 176.0931 *81 R 4.0914 8.3738 118.0159 57.8361 31.2384 170.2811 82 P 4.4467 0.0000 0.0000 64.9613 31.4488 178.3244 83 R 4.1317 7.9825 117.9051 58.9914 29.8744 178.0765 84 D 4.3468 7.9958 117.8815 57.2962 40.9616 178.3851 85 L 3.9846 8.0385 120.8284 58.2187 42.1146 179.0749 86 I 3.7516 8.0593 120.0681 64.3941 37.0541 178.3422 87 S 4.1108 8.2034 114.0200 61.5023 62.2075 176.0197 88 N 4.3899 8.2747 119.2449 56.2694 38.1877 177.5154 89 I 3.7156 7.8001 121.3931 64.2881 37.1419 177.9624 90 N 4.2822 8.3204 118.0202 56.4864 38.7295 177.0534 91 V 3.5564 7.8476 119.6507 66.1206 31.5540 178.1388 92 I 3.6413 7.6290 119.4181 64.2047 36.8986 178.3789 93 V 3.5436 8.0667 119.5148 66.1985 31.2544 178.0266 94 L 3.9832 8.2639 118.8387 57.9610 41.2319 179.4583 95 E 3.9689 8.0519 117.4724 59.2153 29.4111 179.2437 96 L 4.1468 8.0797 118.8413 57.5038 41.9037 179.0243 97 K 4.2641 8.1688 116.7725 56.0839 33.3078 177.9913 98 G 4.0364 7.8603 105.1127 45.5932 0.0000 173.2227 99 S 4.6480 8.2489 111.3015 58.0961 63.8457 175.1383 100 E 4.1432 8.0239 120.8684 59.3013 29.6838 177.4572 101 T 4.1266 7.8293 115.8341 63.3793 69.0965 173.8362 102 T 4.6164 8.1779 116.4030 60.3949 70.7397 173.8512 103 F 4.6987 7.8963 123.4720 57.6320 42.7983 172.8331 104 M 4.2173 7.3973 126.9066 53.4177 33.3402 175.8771 105 C 4.1899 8.3460 124.2565 56.8337 38.2261 172.8314 106 E 4.5445 8.4461 122.6179 54.8636 31.3569 174.6612 107 Y 5.1511 8.4058 121.9330 56.3077 40.4437 175.5918 108 A 4.2812 9.1792 125.7340 51.9472 19.4112 178.0734 109 D 4.5473 8.6829 119.4084 57.4394 41.0930 177.6758 110 E 4.1028 8.0642 118.6423 56.2537 29.8163 176.8880 111 T 4.4941 8.2034 114.3641 60.9769 70.9039 173.1409 112 A 4.9709 8.8097 122.2530 50.1797 23.2730 175.8626 113 T 4.5361 8.7048 109.7456 61.1760 70.3030 175.6464 114 I 3.3979 8.7614 120.8785 64.0270 37.8178 177.8822 115 V 3.6233 7.8063 118.7829 66.1123 31.5030 177.7795 116 E 4.0041 8.0960 118.3438 59.1770 29.3259 179.1673 117 F 4.2205 8.5604 120.9794 61.3084 39.4426 177.2814 118 L 3.8939 8.1388 118.5779 57.8681 41.3746 179.0743 119 N 4.3023 8.2958 116.5149 56.3879 38.4540 177.4165 120 R 3.7133 7.8513 119.8577 59.3082 30.2065 178.7226 121 W 4.3345 7.7710 118.3534 59.4103 28.8703 178.8141 122 I 3.8080 8.2726 120.6294 64.7274 36.5291 178.3916 123 T 3.8416 8.1443 116.8151 66.4975 68.2462 176.2462 124 F 3.9977 8.3743 122.4608 61.5375 39.4362 176.7771 125 C 4.0757 8.4599 116.1044 63.0679 27.9703 175.9883 126 Q 3.9565 8.1778 119.4900 59.1978 28.1264 179.1351 127 S 3.9873 8.0041 112.7362 61.5615 62.6670 176.0938 128 I 3.6740 7.3724 122.1738 64.2147 36.7163 178.1679 129 I 3.6180 7.6655 120.7657 64.8078 36.8048 178.1553 130 S 4.0448 7.9318 112.3376 61.5419 62.1510 175.5802 131 T 4.2486 7.6189 109.9662 62.2578 68.9841 174.5935 132 L 4.3118 7.9277 127.8162 56.0661 40.6854 176.0864 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 4 S 8.33 4.40 0.00 3.99 3.98 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 0.00 0.00 0.00 0.00 5 S 8.29 4.42 0.00 3.96 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 6 S 8.59 4.23 0.00 3.92 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 7 T 7.62 3.97 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 8 K 7.98 3.97 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 9 K 7.70 3.96 0.00 1.99 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 10 T 7.80 3.87 4.39 0.00 0.00 0.00 0.00 0.00 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 11 Q 8.19 3.96 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 12 L 8.00 4.01 0.00 1.76 1.72 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.14 4.01 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 14 L 8.06 4.03 0.00 1.89 1.73 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.48 4.04 0.00 2.20 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 2.33 2.45 0.00 16 H 8.52 4.07 0.00 3.30 3.45 0.00 5.59 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 17 L 8.18 3.97 0.00 1.82 1.86 0.89 0.68 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 18 L 8.31 3.99 0.00 1.86 1.94 1.00 0.54 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 19 L 8.12 3.97 0.00 1.77 1.68 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.10 4.38 0.00 2.95 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 21 L 8.06 4.04 0.00 1.86 1.73 0.96 0.78 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 22 Q 8.44 4.04 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 23 M 8.24 4.05 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 24 I 7.70 3.83 2.06 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 1.44 1.27 0.95 0.00 0.00 25 L 7.92 3.89 0.00 1.76 1.85 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.52 4.36 0.00 2.92 2.77 0.00 0.00 7.18 8.31 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 27 G 7.85 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.21 2.53 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 0.86 0.00 0.00 29 N 7.57 4.36 0.00 2.71 2.84 0.00 0.00 6.96 8.28 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 30 N 7.52 4.72 0.00 2.81 2.89 0.00 0.00 7.00 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 31 Y 6.99 4.56 0.00 3.03 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 32 K 8.49 4.39 0.00 1.82 1.74 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.57 7.81 33 N 8.78 4.41 0.00 2.74 2.92 0.00 0.00 6.89 8.03 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 34 P 0.00 4.32 0.00 2.15 2.10 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 35 K 8.01 3.80 0.00 1.74 1.97 0.00 1.37 0.00 0.00 0.94 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.30 7.81 36 L 8.67 4.06 0.00 1.96 1.86 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.36 3.87 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 1.23 0.00 0.00 38 R 7.86 4.09 0.00 1.96 2.00 0.00 3.31 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 39 M 8.40 4.09 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 40 L 7.95 4.44 0.00 1.88 1.76 0.97 0.99 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 41 T 7.69 4.55 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 1.31 0.00 0.00 42 F 7.55 4.27 0.00 2.94 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 43 K 7.77 4.59 0.00 1.27 1.42 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.24 7.81 44 F 9.10 4.82 0.00 2.92 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 45 Y 9.37 4.66 0.00 2.38 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 0.00 0.00 0.00 46 M 8.88 5.21 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 47 P 0.00 4.81 0.00 2.34 2.13 0.00 3.73 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 48 K 9.07 4.08 0.00 1.71 1.92 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.55 7.81 49 K 7.77 4.45 0.00 1.64 1.58 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.19 1.37 7.81 50 A 8.21 4.51 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 51 T 8.76 4.75 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 1.24 0.00 0.00 52 E 8.12 4.84 0.00 1.69 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 2.26 2.17 0.00 53 L 8.61 4.26 0.00 1.70 1.77 0.93 0.86 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 54 K 7.92 3.93 0.00 1.79 1.94 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.05 0.60 7.81 55 H 7.92 4.22 0.00 3.42 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.94 3.57 0.00 1.84 1.59 1.05 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.02 4.00 0.00 2.37 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 58 C 8.45 4.81 0.00 3.48 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.22 3.82 0.00 0.27 0.76 0.26 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.07 3.90 0.00 2.02 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 2.32 2.34 0.00 61 E 8.30 4.13 0.00 2.22 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 2.43 2.75 0.00 62 E 7.95 4.63 0.00 2.40 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 0.00 2.47 3.04 0.00 63 L 7.97 4.17 0.00 1.86 1.75 0.90 1.17 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 64 K 8.03 3.99 0.00 1.80 1.89 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.50 7.81 65 P 0.00 4.70 0.00 2.23 2.11 0.00 4.00 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 66 L 8.05 4.25 0.00 2.10 2.03 0.97 1.12 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 67 E 8.45 3.94 0.00 2.09 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 0.00 2.46 2.37 0.00 68 E 8.82 4.00 0.00 2.20 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 0.00 2.36 2.62 0.00 69 V 7.33 3.27 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 0.70 0.00 0.00 0.43 0.00 0.00 70 L 7.61 4.01 0.00 1.88 1.78 0.97 1.18 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 71 N 8.06 4.46 0.00 2.81 2.85 0.00 0.00 7.02 7.43 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 72 L 7.59 4.03 0.00 1.74 1.67 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.32 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.95 4.49 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.48 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 *81 R 8.37 4.09 0.00 1.87 1.92 0.00 3.28 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.45 0.00 2.15 2.16 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 83 R 7.98 4.13 0.00 1.94 1.95 0.00 3.23 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 84 D 8.00 4.35 0.00 2.90 2.71 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 85 L 8.04 3.98 0.00 1.79 1.68 0.95 0.96 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 86 I 8.06 3.75 1.95 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 1.63 0.85 0.99 0.00 0.00 87 S 8.20 4.11 0.00 3.96 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 88 N 8.27 4.39 0.00 2.97 2.88 0.00 0.00 7.02 7.44 0.00 0.00 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 I 7.80 3.72 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 0.86 0.00 0.00 90 N 8.32 4.28 0.00 2.92 2.91 0.00 0.00 6.85 7.33 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 91 V 7.85 3.56 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 0.95 0.00 0.00 1.00 0.00 0.00 92 I 7.63 3.64 1.93 0.00 0.00 0.65 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 0.60 0.92 0.00 0.00 93 V 8.07 3.54 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 0.99 0.00 0.00 0.85 0.00 0.00 94 L 8.26 3.98 0.00 1.93 1.70 0.92 0.84 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 95 E 8.05 3.97 0.00 2.07 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 2.51 2.48 0.00 96 L 8.08 4.15 0.00 1.86 1.76 0.97 1.11 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 97 K 8.17 4.26 0.00 1.91 2.02 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 98 G 7.86 4.04 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 0.00 0.00 0.00 99 S 8.25 4.65 0.00 3.98 3.98 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 0.00 0.00 0.00 0.00 100 E 8.02 4.14 0.00 1.99 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 2.32 2.33 0.00 101 T 7.83 4.13 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 1.23 0.00 0.00 102 T 8.18 4.62 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 1.29 0.00 0.00 103 F 7.90 4.70 0.00 3.13 3.13 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 0.00 104 M 7.40 4.22 0.00 1.69 1.73 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 105 C 8.35 4.19 0.00 2.73 2.22 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 0.00 106 E 8.45 4.54 0.00 1.81 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 2.23 2.16 0.00 107 Y 8.41 5.15 0.00 3.00 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 0.00 108 A 9.18 4.28 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 0.00 109 D 8.68 4.55 0.00 2.72 2.78 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 0.00 110 E 8.06 4.10 0.00 1.99 1.91 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 2.33 2.26 0.00 111 T 8.20 4.49 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 0.57 0.00 0.00 112 A 8.81 4.97 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 0.00 113 T 8.70 4.54 4.37 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 1.28 0.00 0.00 114 I 8.76 3.40 2.22 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 1.54 1.08 1.03 0.00 0.00 115 V 7.81 3.62 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 1.07 0.00 0.00 0.97 0.00 0.00 116 E 8.10 4.00 0.00 2.09 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 2.36 2.36 0.00 117 F 8.56 4.22 0.00 3.06 2.96 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 0.00 118 L 8.14 3.89 0.00 1.76 1.71 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.30 4.30 0.00 2.75 2.86 0.00 0.00 6.71 7.18 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 0.00 120 R 7.85 3.71 0.00 1.86 1.75 0.00 2.90 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.08 0.00 121 W 7.77 4.33 0.00 3.20 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 0.00 122 I 8.27 3.81 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 0.93 0.00 0.00 123 T 8.14 3.84 4.43 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 1.18 0.00 0.00 124 F 8.37 4.00 0.00 3.01 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.46 4.08 0.00 3.25 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 0.00 126 Q 8.18 3.96 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 127 S 8.00 3.99 0.00 3.80 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 0.00 128 I 7.37 3.67 1.67 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.37 0.81 0.00 0.00 129 I 7.67 3.62 2.01 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 1.39 0.73 0.89 0.00 0.00 130 S 7.93 4.04 0.00 3.81 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 0.00 131 T 7.62 4.25 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 1.21 0.00 0.00 132 L 7.93 4.31 0.00 1.66 1.58 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.