NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3535 0.0000 0.0000 62.5066 32.6351 175.1044 3 R 4.3211 8.4935 122.1029 54.0997 32.1332 174.6703 4 A 4.6874 8.0578 128.1222 49.4962 19.4101 174.9178 5 K 3.9974 7.8529 121.4720 56.2897 33.6056 178.0997 6 T 3.9009 8.6404 116.1447 66.8206 68.4960 175.2775 7 G 4.3088 9.4749 112.0075 45.7391 0.0000 173.3173 8 V 4.3014 7.1673 119.6728 60.7842 39.7523 178.4423 9 V 2.9140 6.6926 116.0602 64.3801 33.9903 177.2378 10 R 3.8273 7.7313 116.6279 59.5897 29.9667 178.2835 11 R 3.9168 8.2907 118.4637 60.1746 30.1038 177.9609 12 R 3.8995 8.1711 117.0881 58.8980 29.7705 178.6122 13 K 3.8816 8.7808 119.7126 60.5669 32.5727 178.6401 14 H 4.3817 8.4599 116.2385 58.4081 28.8657 177.4699 15 K 3.8969 8.4258 121.5968 59.6193 31.6562 178.7208 16 K 3.9114 7.8892 119.1078 59.4473 32.3469 178.6108 17 I 3.8259 8.0710 120.3400 64.5684 37.2581 178.1440 18 L 3.9613 8.1057 119.2428 58.2684 40.9779 179.8641 19 K 4.0193 8.0625 117.9819 59.1313 31.8441 178.8515 20 L 4.0596 8.1447 119.0087 56.6137 42.2279 177.5162 21 A 4.2917 7.5828 118.7479 51.0473 19.8718 176.6268 22 K 3.7222 6.8854 116.9205 58.0367 32.4664 177.1468 23 G 3.9699 8.8783 110.4286 45.4160 0.0000 172.9810 24 Y 4.7988 7.4260 118.2224 56.7882 39.1096 174.0431 25 W 3.8352 9.2743 129.1251 61.4636 31.5344 180.6549 26 G 4.2490 9.3034 109.2482 45.0663 0.0000 174.7581 27 L 4.1364 8.7324 119.6695 56.6210 42.0467 178.9010 28 R 3.7198 7.6700 119.1126 58.2955 30.2955 177.5823 29 S 4.8611 8.0773 109.4996 57.6888 64.6424 174.5705 30 K 4.2965 7.9125 118.4386 56.5150 33.4603 175.8669 31 S 4.3851 8.8804 117.5610 57.2748 61.2685 175.0757 *32 F 4.3181 8.5934 127.1040 58.8935 37.9370 173.2636 33 R 4.5758 7.5359 115.1828 58.5375 31.7422 177.7816 34 K 3.8833 8.5813 118.4588 59.9570 32.4896 178.7095 35 A 4.6762 9.4248 122.3397 54.4737 18.2960 179.1793 36 R 3.6294 7.9817 115.5210 59.8312 30.0204 178.0468 37 E 4.4240 8.3053 117.8388 60.4102 29.5558 179.9039 38 T 3.6858 7.8990 115.1476 66.2445 68.0962 176.9001 39 L 3.8552 8.2526 121.3636 57.7764 41.6189 178.9997 40 F 4.1489 7.8552 117.0120 60.8628 38.1587 177.6909 41 A 3.7261 7.7316 118.8980 55.2039 18.0294 179.1886 42 A 4.0273 7.6490 119.3414 55.5388 18.2902 180.1803 43 G 3.5569 9.6868 103.5013 47.8971 0.0000 174.9370 44 N 4.3396 8.4799 119.3826 55.6243 39.2837 175.7573 45 Y 4.1163 10.3503 112.2173 62.3035 37.7722 180.8577 46 A 3.6138 5.9931 126.7276 54.2819 20.1887 178.7784 47 Y 4.1328 8.0638 115.6009 60.7988 38.9875 178.3973 48 A 4.1469 8.4646 119.1334 53.3324 18.9227 178.1076 49 H 4.3990 8.8806 114.8954 56.7201 28.9005 177.3762 50 R 4.0918 7.5024 120.3278 58.6567 30.2997 178.6441 51 K 3.9569 7.7437 115.7947 58.3957 32.3518 178.7184 52 R 4.0337 7.6195 119.5827 59.1426 30.3260 177.8415 53 R 3.8928 7.4900 117.3368 59.6211 29.7457 178.1970 54 K 3.9073 8.1074 117.8646 59.1575 31.6754 178.2300 55 R 4.4616 7.6889 113.4837 56.4920 29.5334 177.3248 56 D 4.0168 7.7468 119.6561 56.8266 41.6013 177.9719 57 F 3.4253 7.7770 117.8476 59.9552 39.2395 177.5084 58 R 3.4672 6.6643 116.6419 59.6055 29.3098 178.2757 59 R 3.7556 7.2259 117.8546 59.1690 30.1013 178.2571 60 L 3.8356 7.9770 120.4162 57.8460 41.9749 178.5977 61 W 4.5775 7.8018 118.3477 60.3999 29.1227 178.1016 62 I 3.4403 8.0183 119.3176 64.9648 36.3776 178.2047 63 V 3.5594 7.4371 117.7256 65.7194 31.2651 178.0384 64 R 3.6598 8.0976 117.9769 60.2949 30.2111 178.2443 65 I 3.8364 8.9113 120.8504 62.9118 36.9106 177.3830 66 N 4.3383 8.7006 117.3249 57.0301 39.1670 177.9426 67 A 4.6581 8.6317 121.0227 51.5742 19.1041 177.2253 68 A 4.6197 7.6507 124.0876 54.5990 25.8487 178.4075 69 C 4.5536 8.1802 108.3883 58.6820 30.0955 174.2331 70 R 5.0603 7.5025 119.4748 56.9996 30.3100 177.3974 71 Q 4.1903 7.7809 116.2471 59.2454 28.8826 176.9519 72 H 4.9358 7.9868 113.7462 55.7004 30.3250 175.6711 73 G 4.0940 8.8542 111.0056 44.4426 0.0000 176.3826 74 L 4.2622 8.8819 123.3602 55.4591 41.9618 176.1955 75 N 5.3507 8.3081 114.1866 50.7627 40.2259 174.3722 76 Y 4.0635 9.4332 121.5019 61.2054 38.8209 178.9396 77 S 4.7743 7.7055 106.2915 59.5182 62.9345 174.2823 78 T 4.5089 8.4648 117.1717 64.9362 72.3062 175.7144 79 F 4.0133 8.5267 122.0433 61.6535 39.4552 177.3207 80 I 3.5309 7.4140 118.3279 64.9615 37.2568 177.1104 81 H 3.9974 8.2890 117.6915 60.2011 29.4604 176.2927 82 G 3.6376 8.4548 106.0709 45.9495 0.0000 174.8881 83 L 3.8120 7.9555 123.6660 57.8228 42.0959 178.5613 84 K 3.9387 7.6332 117.9253 58.9538 32.3191 178.2938 85 K 4.0261 7.6604 118.8161 59.4777 32.0873 177.6933 86 A 4.1725 7.9089 121.2207 52.0329 18.3969 176.8450 87 G 3.7482 8.3699 112.1182 45.8340 0.0000 172.9242 88 I 3.5312 7.7099 121.0706 60.3463 36.5169 174.8569 89 E 4.3754 8.3826 123.0959 56.3620 31.0722 179.2775 90 V 3.8138 7.3077 120.2331 63.0660 31.7671 174.2832 91 D 4.6822 9.0697 118.7158 55.6672 40.5601 176.8415 92 R 3.5536 8.6352 114.8654 56.8522 27.8866 179.2674 93 K 3.6171 8.4216 115.9682 58.1427 31.7628 176.9325 94 N 3.1400 8.5032 118.2987 55.9533 38.8026 177.0952 95 L 4.6286 8.7158 115.8184 54.6084 41.4111 177.9501 96 A 5.2596 7.8861 122.7352 52.3919 19.7067 179.4919 97 D 4.4865 8.0104 115.4816 55.1915 39.2935 177.3234 98 L 4.7366 8.0495 118.5477 54.5820 41.4475 176.9504 99 A 4.0410 7.6122 120.7778 51.7069 19.4921 177.9243 100 V 3.9156 7.0357 114.3635 63.5750 32.6411 175.4076 101 R 4.2102 7.5519 116.8292 56.2903 31.4011 175.9016 102 E 4.2751 9.0548 121.2394 55.7319 26.3945 173.5883 103 P 3.9941 0.0000 0.0000 65.2485 31.2755 178.3335 104 Q 3.8645 7.0109 116.8744 59.9430 28.4731 179.1766 105 V 3.6739 7.9395 113.4930 64.7962 31.8908 178.5254 106 F 3.9878 8.1103 119.6844 61.3570 39.0047 177.1241 107 A 4.2236 8.0723 119.9723 54.7546 17.8344 179.5879 108 E 3.9634 7.9488 116.4308 59.5078 29.6163 178.7135 109 L 4.0176 7.8727 118.9513 58.6481 41.7105 179.1181 110 V 3.3301 7.9737 115.7304 66.5881 31.2725 177.7161 111 E 3.7511 8.3602 115.3627 59.8365 29.4620 180.0153 112 R 3.7825 7.4318 117.7402 60.0682 30.4126 177.8297 113 A 4.4127 8.7527 122.8599 53.0801 18.4355 178.8449 114 K 3.9439 7.8681 117.6214 58.4460 33.1252 177.8844 115 A 4.4619 8.2084 122.3333 53.9599 19.6545 178.4386 116 A 4.1742 7.7199 115.3266 52.7223 18.1786 177.4816 117 Q 4.5348 7.9467 117.5091 55.8924 30.4156 175.6615 118 G 3.8794 8.4862 112.3244 46.1567 0.0000 174.1198 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 2 P 0.00 4.35 0.00 2.19 2.13 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.49 4.32 0.00 1.85 1.84 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 4 A 8.06 4.69 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 5 K 7.85 4.00 0.00 1.87 1.87 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.58 7.81 6 T 8.64 3.90 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 7 G 9.47 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 0.00 0.00 0.00 0.00 8 V 7.17 4.30 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 0.96 0.00 0.00 0.93 0.00 0.00 9 V 6.69 2.91 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 0.95 0.00 0.00 0.96 0.00 0.00 10 R 7.73 3.83 0.00 1.92 1.95 0.00 3.28 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 11 R 8.29 3.92 0.00 1.90 2.01 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 12 R 8.17 3.90 0.00 2.08 1.89 0.00 3.22 0.00 0.00 3.33 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 13 K 8.78 3.88 0.00 1.77 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 14 H 8.46 4.38 0.00 3.48 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.43 3.90 0.00 1.80 2.12 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 16 K 7.89 3.91 0.00 1.80 2.05 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 17 I 8.07 3.83 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.90 0.00 0.00 18 L 8.11 3.96 0.00 1.85 1.76 0.92 0.74 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 19 K 8.06 4.02 0.00 1.97 1.83 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.74 7.81 20 L 8.14 4.06 0.00 1.79 1.90 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.58 4.29 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 6.89 3.72 0.00 1.66 1.71 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.51 7.81 23 G 8.88 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 24 Y 7.43 4.80 0.00 3.02 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 25 W 9.27 3.84 0.00 3.45 2.92 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 26 G 9.30 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 0.00 0.00 0.00 0.00 27 L 8.73 4.14 0.00 1.76 1.75 0.94 0.88 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 28 R 7.67 3.72 0.00 1.98 2.01 0.00 3.31 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 29 S 8.08 4.86 0.00 3.96 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 30 K 7.91 4.30 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.31 7.81 31 S 8.88 4.39 0.00 3.81 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 *32 F 8.59 4.32 0.00 2.33 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 33 R 7.54 4.58 0.00 1.84 1.95 0.00 3.15 0.00 0.00 3.35 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 34 K 8.58 3.88 0.00 1.70 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.65 7.81 35 A 9.42 4.68 1.48 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 36 R 7.98 3.63 0.00 1.79 2.13 0.00 3.32 0.00 0.00 3.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.20 0.00 37 E 8.31 4.42 0.00 2.30 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 0.00 2.44 2.62 0.00 38 T 7.90 3.69 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 0.33 0.00 0.00 39 L 8.25 3.86 0.00 1.47 1.53 0.87 1.18 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 40 F 7.86 4.15 0.00 3.29 2.99 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 41 A 7.73 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.65 4.03 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 43 G 9.69 3.56 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 0.00 44 N 8.48 4.34 0.00 2.90 3.00 0.00 0.00 7.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 10.35 4.12 0.00 3.22 2.58 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 0.00 46 A 5.99 3.61 1.48 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 47 Y 8.06 4.13 0.00 3.10 3.29 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 0.00 0.00 0.00 0.00 48 A 8.46 4.15 1.49 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 49 H 8.88 4.40 0.00 3.46 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.50 4.09 0.00 1.83 1.90 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 51 K 7.74 3.96 0.00 1.56 1.77 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.22 1.18 7.81 52 R 7.62 4.03 0.00 2.00 1.79 0.00 3.16 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 53 R 7.49 3.89 0.00 1.97 2.18 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 54 K 8.11 3.91 0.00 1.78 1.85 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.43 7.81 55 R 7.69 4.46 0.00 2.02 2.11 0.00 2.73 0.00 0.00 3.06 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 56 D 7.75 4.02 0.00 2.75 2.57 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 0.00 0.00 0.00 0.00 57 F 7.78 3.43 0.00 2.60 1.48 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 58 R 6.66 3.47 0.00 1.96 1.88 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 59 R 7.23 3.76 0.00 1.94 1.89 0.00 3.03 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 60 L 7.98 3.84 0.00 1.33 1.39 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.80 4.58 0.00 3.73 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 62 I 8.02 3.44 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.13 0.27 0.00 0.00 63 V 7.44 3.56 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 0.94 0.00 0.00 64 R 8.10 3.66 0.00 2.04 2.02 0.00 3.33 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 65 I 8.91 3.84 2.33 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.96 1.12 0.00 0.00 66 N 8.70 4.34 0.00 3.05 3.03 0.00 0.00 7.29 8.04 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 67 A 8.63 4.66 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 68 A 7.65 4.62 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.18 4.55 0.00 2.70 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 70 R 7.50 5.06 0.00 2.03 1.96 0.00 3.12 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 71 Q 7.78 4.19 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.25 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 72 H 7.99 4.94 0.00 3.18 3.35 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.85 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 74 L 8.88 4.26 0.00 1.90 1.93 1.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.31 5.35 0.00 3.02 2.98 0.00 0.00 5.56 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 76 Y 9.43 4.06 0.00 3.24 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 77 S 7.71 4.77 0.00 4.08 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 78 T 8.46 4.51 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 1.25 0.00 0.00 79 F 8.53 4.01 0.00 2.88 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 80 I 7.41 3.53 1.64 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 0.77 0.40 0.85 0.00 0.00 81 H 8.29 4.00 0.00 3.20 3.43 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.96 3.81 0.00 1.42 1.31 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.63 3.94 0.00 1.68 1.76 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.51 7.81 85 K 7.66 4.03 0.00 1.81 1.66 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 86 A 7.91 4.17 1.26 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 0.00 0.00 0.00 87 G 8.37 3.75 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 0.00 0.00 0.00 88 I 7.71 3.53 1.76 0.00 0.00 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 1.35 0.61 0.84 0.00 0.00 89 E 8.38 4.38 0.00 2.07 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 0.00 2.18 2.25 0.00 90 V 7.31 3.81 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 0.75 0.00 0.00 0.90 0.00 0.00 91 D 9.07 4.68 0.00 2.93 2.77 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 92 R 8.64 3.55 0.00 1.94 1.95 0.00 3.34 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 93 K 8.42 3.62 0.00 2.30 2.35 0.00 1.83 0.00 0.00 1.88 0.00 0.00 3.36 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.71 1.85 7.81 94 N 8.50 3.14 0.00 1.44 2.30 0.00 0.00 7.04 6.54 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 95 L 8.72 4.63 0.00 1.52 1.63 0.86 0.66 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 96 A 7.89 5.26 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.49 0.00 2.84 2.98 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 98 L 8.05 4.74 0.00 1.83 1.81 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.61 4.04 -0.27 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 0.00 100 V 7.04 3.92 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 0.79 0.00 0.00 0.89 0.00 0.00 101 R 7.55 4.21 0.00 1.90 1.83 0.00 3.33 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 102 E 9.05 4.28 0.00 2.17 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 2.31 2.19 0.00 103 P 0.00 3.99 0.00 2.24 2.28 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 104 Q 7.01 3.86 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 105 V 7.94 3.67 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 0.90 0.00 0.00 1.05 0.00 0.00 106 F 8.11 3.99 0.00 3.35 3.21 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 0.00 107 A 8.07 4.22 1.53 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 0.00 0.00 108 E 7.95 3.96 0.00 2.25 2.01 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 2.50 2.36 0.00 109 L 7.87 4.02 0.00 1.61 1.50 0.86 0.53 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 0.00 110 V 7.97 3.33 2.34 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 1.03 0.00 0.00 1.05 0.00 0.00 111 E 8.36 3.75 0.00 2.04 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 2.65 2.55 0.00 112 R 7.43 3.78 0.00 1.50 1.96 0.00 3.27 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 113 A 8.75 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.87 3.94 0.00 1.93 1.98 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.53 7.81 115 A 8.21 4.46 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 0.00 116 A 7.72 4.17 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 0.00 117 Q 7.95 4.53 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 118 G 8.49 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.