NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.0146 8.2993 119.9416 55.9858 35.0348 175.6688 21 N 4.0109 7.2117 117.3388 51.8215 36.8167 172.9768 22 R 4.9517 8.3600 117.6688 55.3610 34.2982 177.8618 23 I 4.7791 8.6725 123.3726 59.6318 40.8299 174.3801 24 Q 4.9718 8.8742 125.4221 53.9999 31.1722 175.2285 25 V 3.8938 8.3018 125.9669 62.5808 31.5769 174.8278 26 S 4.5882 8.8189 120.2429 59.6973 68.6384 173.6090 27 N 4.2628 8.4169 123.0407 53.5646 38.3443 174.8883 28 T 4.2600 8.4410 115.6878 62.9591 69.1981 175.5456 29 K 4.1523 8.6782 122.1793 58.3259 32.5149 177.6384 30 K 4.0699 7.4776 119.0376 55.0874 32.8255 175.1408 31 P 4.5589 0.0000 0.0000 61.9906 32.8169 176.7851 32 L 4.2407 8.7985 121.7918 58.9216 41.9416 179.5092 33 F 4.5339 8.3663 116.4436 59.7811 38.6873 177.2335 34 F 4.1011 8.2187 121.0890 61.5095 39.2131 176.6755 35 Y 3.7653 7.6681 115.7220 60.8651 37.6859 178.3539 36 V 3.4996 7.6973 118.6779 66.3337 31.6130 177.9443 37 N 4.1216 8.0457 115.8425 55.7790 38.2867 177.3228 38 L 3.4526 7.6231 122.1478 57.6088 41.8104 178.8213 39 A 3.8805 7.9875 120.1878 55.0209 18.4141 179.2093 40 K 4.0852 7.8764 116.1843 59.8014 32.4058 179.0932 41 R 4.0547 7.7784 118.6482 59.5467 30.0099 179.3802 42 Y 4.6927 7.6966 115.2952 58.7407 38.4125 178.4214 *44 Q 4.1220 8.0365 122.2891 56.2717 30.8856 176.3257 45 Q 3.8681 8.5079 116.0038 58.1423 28.7225 176.4052 46 Y 4.7344 7.8989 111.9933 57.0527 39.6512 175.2102 47 N 4.5800 8.4516 124.4032 53.6208 38.3307 173.3489 48 D 5.6140 7.5092 114.0355 51.9799 42.6813 174.6540 49 V 4.6796 8.3433 115.5508 60.8943 35.0357 172.1846 50 E 5.1012 9.1374 123.7844 54.5978 32.5201 174.7367 51 L 5.1288 8.8473 125.3889 53.1928 45.3950 175.6294 52 S 5.6992 9.0303 117.9448 55.8397 66.7586 172.8212 53 A 4.7587 8.1674 119.7733 51.3060 22.2020 175.1463 54 L 4.8715 8.3894 119.2791 54.0449 43.9974 176.4733 55 G 3.5116 9.1503 105.5157 48.0785 0.0000 175.7467 *57 A 4.2662 7.5638 122.2800 51.4707 20.5718 178.2878 58 I 3.6914 8.0131 117.2771 63.9512 36.9308 177.9753 59 A 3.9878 8.0401 121.3571 55.5071 18.1271 179.5577 60 T 3.7764 7.6020 114.0927 66.9756 68.6231 177.0718 61 V 3.6555 7.6540 119.4773 65.7623 31.5412 178.0381 62 V 3.5830 8.0874 118.4407 66.4194 31.3422 178.2542 63 T 3.9416 8.2789 115.8707 66.4243 68.2652 176.9249 64 V 3.6125 8.3012 120.6457 66.4014 31.6040 178.2261 65 T 3.9222 7.9790 115.3582 66.6830 68.1975 176.4780 66 E 4.0141 8.2897 120.4288 59.4117 29.4047 179.4261 67 I 3.7370 8.0673 119.9543 64.4371 37.2534 178.3866 68 L 4.1419 8.4292 119.9444 57.8403 41.3768 179.7710 69 K 4.2469 8.4818 119.8814 59.0435 31.8292 179.0743 70 N 4.3960 8.1579 115.1595 56.6208 38.6951 177.2336 71 N 4.5120 8.2501 116.2197 54.5908 38.6662 176.0965 72 G 4.0233 7.5145 107.4445 44.9537 0.0000 174.6211 73 F 4.5371 8.6119 119.8075 59.9851 39.7016 175.0051 74 A 5.3207 8.0584 118.0915 50.4893 23.4692 174.7582 75 V 4.5851 8.4715 117.8788 61.0947 34.9897 174.3796 76 E 4.6686 8.8032 124.2285 55.7538 30.4435 175.6182 77 K 4.4610 8.7309 122.6661 57.3114 34.6098 176.4210 78 K 4.6829 7.6952 120.2777 55.1209 35.5885 174.9154 79 I 5.0317 8.1112 126.5362 59.9006 41.4362 174.8276 *81 T 4.2666 8.4164 120.8758 63.5700 69.5989 173.3131 82 S 4.8216 9.2165 119.7666 56.6323 67.4396 172.8234 83 I 5.0685 8.2457 119.7998 59.1210 38.9174 175.6335 84 V 4.4370 8.1937 120.0284 59.5090 35.1488 174.7115 85 D 5.2279 8.4570 120.8419 53.8753 42.6563 176.5652 86 I 4.6784 8.2575 120.5831 59.1726 41.4941 175.1127 87 K 4.1527 8.8807 126.1409 57.1528 32.5690 176.8338 88 D 4.6559 8.5958 123.4432 51.6991 41.6007 174.7232 89 D 4.3451 8.6788 123.9168 56.9639 41.4283 178.4104 90 A 4.0774 8.0955 120.6905 55.2442 18.4265 178.2342 91 R 4.0839 9.3887 114.1015 56.5003 30.4501 176.3577 92 G 4.4130 8.0166 108.6663 45.7689 0.0000 174.3447 93 R 4.6870 7.3360 113.1367 52.8444 32.4024 173.0764 94 P 4.8498 0.0000 0.0000 63.0502 32.3342 176.2783 95 V 4.3364 8.2385 115.7505 60.2370 34.7727 174.1785 96 Q 5.1625 8.4843 119.1888 54.5017 31.3201 175.7089 97 K 4.8001 8.6886 120.6811 54.4321 37.1669 175.3920 98 A 4.5695 8.4643 123.8069 51.6473 20.2319 176.3675 99 K 5.0095 9.2698 122.4502 54.5895 35.8254 174.8534 100 I 4.8885 8.8260 126.7790 59.3215 41.5840 173.9712 101 E 5.0427 8.5890 125.2535 54.8911 33.3201 174.8419 102 I 4.7207 9.1720 125.5228 59.9273 40.8607 174.4972 103 T 5.0514 8.6563 124.7596 62.1114 70.2783 174.1946 104 L 5.3077 8.8191 125.7064 53.0272 45.7281 175.9249 105 V 4.9317 8.4333 113.5817 59.0064 35.9653 175.3790 106 K 4.1025 8.4202 122.8195 57.1904 32.7405 177.2625 107 S 4.7432 9.1826 119.9032 57.0871 64.8213 175.0382 108 E 4.1130 8.8332 117.5605 58.5394 29.7365 177.8289 109 K 4.2392 7.9136 117.9012 56.8732 32.8166 178.1568 110 F 4.0379 7.9448 120.9966 61.6602 39.2684 176.2032 111 D 4.6404 8.3591 116.3501 57.5081 40.8860 178.3260 112 E 4.0973 8.1266 118.2744 59.1017 30.2488 179.9581 113 L 4.1458 7.7431 120.3052 54.2550 40.6171 178.7190 *115 A 4.2849 7.9753 122.8616 52.1891 21.0484 179.4173 116 A 4.0960 8.8527 118.5112 55.1792 18.1097 179.5976 117 A 4.1250 7.5851 116.7020 54.1354 18.4088 178.4906 118 N 4.7962 7.6930 113.0895 52.1529 39.2633 174.2852 119 E 3.8439 7.6833 117.4384 57.5300 27.6945 175.2022 120 E 4.3630 8.4021 116.8861 55.6833 30.4603 175.8605 121 K 3.7277 8.0908 120.2312 56.6386 32.1974 175.9750 122 E 4.1507 8.7166 124.7429 56.7406 29.3708 176.9665 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 20 K 8.30 4.01 0.00 1.42 1.72 0.00 1.22 0.00 0.00 1.35 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.55 7.81 21 N 7.21 4.01 0.00 2.94 2.64 0.00 0.00 6.06 6.77 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 22 R 8.36 4.95 0.00 1.63 1.84 0.00 3.11 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 23 I 8.67 4.78 2.09 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 1.41 1.38 1.09 0.00 0.00 24 Q 8.87 4.97 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 25 V 8.30 3.89 1.86 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 0.37 0.00 0.00 0.23 0.00 0.00 26 S 8.82 4.59 0.00 3.99 3.91 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 27 N 8.42 4.26 0.00 2.80 2.87 0.00 0.00 6.89 7.22 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 28 T 8.44 4.26 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 29 K 8.68 4.15 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 30 K 7.48 4.07 0.00 1.76 1.41 0.00 0.61 0.00 0.00 1.30 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 0.99 7.81 31 P 0.00 4.56 0.00 2.23 2.15 0.00 3.56 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 2.14 1.95 0.00 32 L 8.80 4.24 0.00 1.89 1.81 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.37 4.53 0.00 3.07 3.02 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 34 F 8.22 4.10 0.00 2.96 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 35 Y 7.67 3.77 0.00 3.23 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 36 V 7.70 3.50 1.87 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 0.86 0.00 0.00 1.01 0.00 0.00 37 N 8.05 4.12 0.00 2.72 2.68 0.00 0.00 6.73 6.14 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 38 L 7.62 3.45 0.00 0.92 1.22 0.37 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.99 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.09 0.00 1.70 1.81 0.00 1.43 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.07 1.30 7.81 41 R 7.78 4.05 0.00 1.86 1.84 0.00 3.16 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 42 Y 7.70 4.69 0.00 3.06 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 *44 Q 8.04 4.12 0.00 2.47 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 45 Q 8.51 3.87 0.00 1.28 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 46 Y 7.90 4.73 0.00 3.17 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.45 4.58 0.00 2.96 2.95 0.00 0.00 6.71 8.49 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 48 D 7.51 5.61 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 49 V 8.34 4.68 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 0.66 0.00 0.00 1.16 0.00 0.00 50 E 9.14 5.10 0.00 2.04 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 0.00 2.22 2.26 0.00 51 L 8.85 5.13 0.00 1.60 1.51 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.03 5.70 0.00 3.94 3.91 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 53 A 8.17 4.76 1.16 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 0.00 0.00 0.00 0.00 0.00 54 L 8.39 4.87 0.00 1.51 1.57 0.92 0.99 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 55 G 9.15 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 *57 A 7.56 4.27 1.39 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 0.00 0.00 0.00 58 I 8.01 3.69 2.00 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 1.44 0.68 0.90 0.00 0.00 59 A 8.04 3.99 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 60 T 7.60 3.78 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 0.97 0.00 0.00 61 V 7.65 3.66 2.04 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 1.07 0.00 0.00 0.84 0.00 0.00 62 V 8.09 3.58 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 0.94 0.00 0.00 63 T 8.28 3.94 4.40 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 1.28 0.00 0.00 64 V 8.30 3.61 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 0.94 0.00 0.00 1.04 0.00 0.00 65 T 7.98 3.92 4.40 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 1.23 0.00 0.00 66 E 8.29 4.01 0.00 2.20 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 2.35 2.58 0.00 67 I 8.07 3.74 2.11 0.00 0.00 1.00 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 0.83 0.90 0.00 0.00 68 L 8.43 4.14 0.00 1.70 1.85 0.93 0.63 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 69 K 8.48 4.25 0.00 1.81 1.89 0.00 1.88 0.00 0.00 2.00 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.52 7.81 70 N 8.16 4.40 0.00 2.85 2.91 0.00 0.00 7.16 8.75 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 71 N 8.25 4.51 0.00 3.05 3.03 0.00 0.00 7.39 8.45 0.00 0.00 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 G 7.51 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 73 F 8.61 4.54 0.00 3.26 3.40 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 74 A 8.06 5.32 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 75 V 8.47 4.59 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 1.00 0.00 0.00 0.95 0.00 0.00 76 E 8.80 4.67 0.00 2.02 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 0.00 2.25 2.25 0.00 77 K 8.73 4.46 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.35 7.81 78 K 7.70 4.68 0.00 1.82 1.57 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.47 7.81 79 I 8.11 5.03 1.87 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 1.35 0.78 0.91 0.00 0.00 *81 T 8.42 4.27 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 1.28 0.00 0.00 82 S 9.22 4.82 0.00 3.79 3.93 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 83 I 8.25 5.07 1.87 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 1.36 1.91 0.94 0.00 0.00 84 V 8.19 4.44 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 0.84 0.00 0.00 0.93 0.00 0.00 85 D 8.46 5.23 0.00 2.56 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 86 I 8.26 4.68 1.87 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 1.23 1.55 0.91 0.00 0.00 87 K 8.88 4.15 0.00 1.64 1.77 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.40 7.81 88 D 8.60 4.66 0.00 2.61 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 89 D 8.68 4.35 0.00 2.70 2.74 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 90 A 8.10 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 91 R 9.39 4.08 0.00 1.67 2.08 0.00 3.32 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 92 G 8.02 4.41 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 0.00 0.00 0.00 93 R 7.34 4.69 0.00 1.87 1.86 0.00 3.07 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 94 P 0.00 4.85 0.00 1.95 2.09 0.00 3.71 0.00 0.00 4.31 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 95 V 8.24 4.34 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 0.87 0.00 0.00 0.93 0.00 0.00 96 Q 8.48 5.16 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 97 K 8.69 4.80 0.00 1.64 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.51 7.81 98 A 8.46 4.57 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 99 K 9.27 5.01 0.00 1.75 1.60 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.34 7.81 100 I 8.83 4.89 1.86 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 1.22 1.33 0.92 0.00 0.00 101 E 8.59 5.04 0.00 1.82 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 2.20 2.32 0.00 102 I 9.17 4.72 1.87 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 1.23 1.07 0.92 0.00 0.00 103 T 8.66 5.05 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 1.27 0.00 0.00 104 L 8.82 5.31 0.00 1.59 1.54 0.95 0.62 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 0.00 105 V 8.43 4.93 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 0.81 0.00 0.00 0.97 0.00 0.00 106 K 8.42 4.10 0.00 1.42 1.58 0.00 0.76 0.00 0.00 1.35 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.39 7.81 107 S 9.18 4.74 0.00 3.91 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 0.00 108 E 8.83 4.11 0.00 2.11 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 0.00 2.28 2.33 0.00 109 K 7.91 4.24 0.00 1.93 1.75 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.45 7.81 110 F 7.94 4.04 0.00 3.33 3.19 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 0.00 111 D 8.36 4.64 0.00 2.76 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 0.00 112 E 8.13 4.10 0.00 2.08 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 0.00 2.38 2.40 0.00 113 L 7.74 4.15 0.00 1.31 1.10 -0.11 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *115 A 7.98 4.28 1.35 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 0.00 0.00 116 A 8.85 4.10 1.29 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 0.00 0.00 117 A 7.59 4.12 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 0.00 118 N 7.69 4.80 0.00 2.76 2.81 0.00 0.00 7.01 7.66 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 0.00 119 E 7.68 3.84 0.00 2.09 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 2.25 2.29 0.00 120 E 8.40 4.36 0.00 2.00 1.96 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 2.49 2.35 0.00 121 K 8.09 3.73 0.00 1.68 1.76 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 122 E 8.72 4.15 0.00 1.99 1.85 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 2.49 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.