NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5854 8.3644 120.5294 53.6811 42.2911 174.9388 3 I 3.6082 8.3605 124.1375 60.6601 38.5516 173.4431 4 K 4.6886 9.0722 126.8132 54.4430 36.0806 175.2653 5 E 4.3068 8.5321 121.9150 55.6067 30.3861 176.7416 6 L 4.4421 8.2749 122.6999 55.1903 42.8151 176.4341 7 H 4.4770 9.3305 120.7078 55.7189 29.9596 174.4668 8 V 4.5978 8.4911 123.8552 61.4869 32.7372 174.9870 9 K 4.4739 9.1022 128.8439 55.0239 34.2920 175.6106 10 T 4.7014 8.4305 122.9034 62.5433 68.8320 174.8717 11 V 4.5090 8.4100 119.9400 59.3496 35.7258 175.4665 12 K 4.4875 8.7700 121.8021 54.4556 33.8984 176.4993 13 R 4.4668 8.4819 121.4362 58.0989 30.3956 177.1031 14 G 3.9728 9.2314 114.1189 45.0451 0.0000 173.3712 15 E 4.1629 7.8263 120.5921 56.3214 30.9747 175.0077 16 N 5.2962 8.5073 121.3920 51.6507 40.7198 174.4980 17 V 4.4143 8.5962 122.2762 61.5938 35.2752 174.4701 18 T 5.4972 7.8028 120.9749 60.8417 72.8149 172.5159 *20 E 4.6189 8.5915 120.1068 57.0881 30.8631 176.4880 21 C 4.9726 9.5613 122.5303 55.4787 47.3494 173.1643 22 S 4.4964 8.5217 122.1399 58.0276 64.1540 173.1636 *24 S 4.5095 8.7457 111.6848 58.6104 64.3747 174.7876 25 K 4.4093 7.8358 115.3172 55.8803 32.1398 176.2531 26 V 3.9340 7.4688 119.7034 62.6679 32.1691 175.8356 27 K 4.0317 8.6868 127.2729 58.1936 32.6886 176.7308 28 D 4.5763 8.5140 121.3819 51.8488 42.7275 175.9303 29 K 3.5356 8.3255 127.4676 59.2072 32.1479 179.4192 30 N 4.5541 7.9643 115.3231 55.7878 38.6917 175.8563 31 K 4.3122 7.9953 116.4041 56.0742 32.5230 175.1086 32 L 5.0700 7.5079 122.3844 53.5892 43.8731 175.1210 33 A 5.4217 8.8156 125.7802 51.1041 23.2956 174.9305 34 W 5.4895 9.5985 119.8475 55.7721 31.7798 175.1647 35 Y 5.1503 9.8966 120.7687 56.2692 40.9846 174.4650 36 R 4.1558 9.0349 124.4881 54.2217 32.7933 174.2424 37 Q 4.6481 8.2808 127.7498 54.0114 31.3271 174.7451 38 S 4.4861 8.3403 123.0243 57.9085 64.3662 174.0377 39 F 4.1424 8.8369 125.2452 59.7537 39.5336 175.4312 40 G 3.6546 7.7288 114.4018 45.6768 0.0000 172.9402 41 K 4.5974 7.4409 117.8903 53.6865 35.0106 176.1914 42 V 3.7680 8.0445 120.4248 62.0854 32.0798 174.2177 43 P 4.6855 0.0000 0.0000 63.0145 32.2331 175.3264 44 Q 4.8036 9.1300 123.4950 54.0125 32.4673 173.9184 45 Y 3.9623 9.1719 126.8598 58.8066 38.8689 174.5866 46 F 4.7282 8.8481 128.0497 59.2327 42.1115 175.3384 47 V 4.5380 7.2134 115.3945 60.4720 34.0305 172.3229 48 R 5.5207 8.9808 119.6847 54.1361 33.0688 174.1712 49 Y 5.0459 8.9000 121.5231 58.7699 39.7490 174.8821 50 Y 4.5496 7.6505 124.9111 55.9320 42.7961 174.9808 51 S 4.3884 7.4296 122.8842 57.0455 61.3844 172.7051 52 S 4.7254 7.1800 116.3296 56.0935 66.7473 174.8076 53 N 4.4867 8.9305 117.9224 56.5553 38.3581 177.1079 54 S 4.1677 7.9822 111.4440 59.7074 63.5091 175.2711 55 G 4.2939 10.0539 108.4992 44.5425 0.0000 171.5750 56 Y 5.4423 6.8232 115.3525 55.8265 41.3000 174.1585 57 K 4.4098 9.1871 121.4359 54.8462 35.5264 175.5569 58 F 4.4229 9.0844 126.0674 56.9342 39.7090 175.1736 59 A 4.1412 8.1304 123.8855 52.0493 19.0774 177.7393 60 E 3.9985 8.7978 119.2762 57.7876 30.3069 177.2985 61 G 4.0593 8.9251 110.7760 45.6263 0.0000 173.4616 62 F 4.1026 7.7422 121.6022 57.1525 38.6392 174.6630 63 K 3.9554 7.6886 127.4874 54.7825 34.1409 175.9515 64 D 4.1537 7.3822 124.0418 52.4905 41.8847 175.1784 65 S 4.1033 8.5470 121.8629 60.7559 62.6359 175.5609 66 R 4.0748 8.3117 118.8206 58.7123 30.9251 176.3571 67 F 5.1077 8.5398 119.0018 55.7397 39.9505 174.6315 68 S 4.4310 8.9380 121.7827 57.8814 67.9608 175.9094 *70 T 4.4448 8.6192 117.4657 63.2718 69.6639 172.4841 71 V 5.0146 8.4880 126.3038 60.9911 33.2538 174.2828 72 N 4.9663 8.8723 124.1000 52.5949 39.3615 174.3636 73 D 4.4994 8.8840 116.4919 57.0027 41.2023 176.9598 74 Q 4.5238 7.8294 117.3039 55.9250 30.5918 176.0309 75 K 4.9283 8.6092 116.3704 54.6474 35.7300 175.2279 76 F 5.6303 9.2199 122.9136 57.0008 37.9716 173.9259 77 D 5.0150 8.7940 120.0536 53.0539 43.0345 177.3776 78 L 4.2474 7.9310 124.4293 53.5137 43.8880 174.5402 79 N 5.2828 9.0741 123.9026 51.4882 41.7558 173.7411 80 I 4.6181 8.3253 122.7533 59.4587 40.8265 174.3428 81 I 4.3185 8.4802 128.6951 59.9461 38.0126 176.0588 82 G 3.5687 8.9995 117.0541 46.1436 0.0000 173.5990 83 T 4.1407 8.3414 114.1212 62.2860 68.6306 172.7188 84 R 4.9550 9.2266 122.5798 54.0224 33.2407 175.6487 85 E 2.6304 8.3127 116.7937 59.4115 29.3539 179.7554 86 D 4.4283 7.9059 116.7153 57.3300 40.9788 177.4661 87 D 4.7591 8.4464 118.4294 56.1719 41.1396 177.1829 88 G 4.0401 7.9874 108.4876 45.3105 0.0000 174.6447 89 G 3.7835 7.3266 108.1282 45.1227 0.0000 170.7195 90 E 5.1905 7.8758 119.3246 54.6767 33.0297 175.0162 91 Y 4.7995 8.9427 120.6326 56.1256 41.9229 174.5540 92 F 5.6806 9.5792 122.2071 55.9420 43.2331 173.0073 93 C 4.8796 9.3855 123.7632 54.8106 43.5065 172.7296 94 G 4.3428 9.3871 112.7616 44.3376 0.0000 170.5040 95 E 5.1173 8.6801 123.0958 53.6287 32.1689 175.4023 96 V 3.9132 8.3709 127.9651 63.2804 32.1095 175.9603 97 E 4.4472 9.0187 127.1860 55.0554 32.2182 177.7569 98 G 3.9087 8.3153 117.4848 46.8427 0.0000 174.2861 99 N 4.5362 9.1406 123.4244 54.3367 39.0680 174.2142 100 T 4.6380 7.4772 107.2789 59.6788 72.1509 172.0408 101 I 4.6622 7.8868 121.8505 59.0290 40.0462 174.4580 102 K 4.4072 8.5250 127.6785 55.0054 34.9051 174.8174 103 F 5.0640 8.6706 123.9650 56.6950 39.4934 175.7781 104 T 4.4482 8.9955 113.3840 62.0372 70.4530 174.1227 105 S 4.7637 7.7522 115.4338 57.6735 66.0080 172.9663 106 G 4.9115 8.5896 109.3921 45.7507 0.0000 171.9536 107 T 5.3771 9.4621 118.3730 61.5689 72.9197 172.8907 108 R 4.8877 9.1970 126.9832 55.0379 31.9663 174.4449 109 L 5.1431 9.1705 129.9382 53.5894 43.9435 175.1237 110 Q 5.0530 8.9888 123.3953 54.7024 32.8961 175.2811 111 F 4.7411 8.7260 116.7306 56.8464 39.6079 175.4706 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 D 8.36 4.59 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.36 3.61 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 4 K 9.07 4.69 0.00 1.75 1.67 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.37 7.81 5 E 8.53 4.31 0.00 1.94 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 0.00 2.30 2.27 0.00 6 L 8.27 4.44 0.00 1.60 1.71 1.12 1.38 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 7 H 9.33 4.48 0.00 3.21 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.49 4.60 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 0.81 0.00 0.00 0.97 0.00 0.00 9 K 9.10 4.47 0.00 1.65 1.61 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.38 7.81 10 T 8.43 4.70 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 1.16 0.00 0.00 11 V 8.41 4.51 1.84 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 0.72 0.00 0.00 -0.04 0.00 0.00 12 K 8.77 4.49 0.00 1.79 1.74 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.33 7.81 13 R 8.48 4.47 0.00 1.87 1.89 0.00 3.42 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 14 G 9.23 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 15 E 7.83 4.16 0.00 2.13 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 2.23 2.24 0.00 16 N 8.51 5.30 0.00 2.57 2.63 0.00 0.00 6.65 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.60 4.41 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 0.87 0.00 0.00 0.78 0.00 0.00 18 T 7.80 5.50 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 1.14 0.00 0.00 *20 E 8.59 4.62 0.00 1.93 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 2.63 2.35 0.00 21 C 9.56 4.97 0.00 3.07 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.50 0.00 3.98 3.78 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 *24 S 8.75 4.51 0.00 3.94 3.95 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 25 K 7.84 4.41 0.00 1.70 1.78 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.39 7.81 26 V 7.47 3.93 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 0.61 0.00 0.00 0.83 0.00 0.00 27 K 8.69 4.03 0.00 1.83 1.77 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 D 8.51 4.58 0.00 2.51 2.41 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 29 K 8.33 3.54 0.00 1.12 0.74 0.00 1.38 0.00 0.00 1.27 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.99 1.11 7.81 30 N 7.96 4.55 0.00 2.87 2.92 0.00 0.00 6.99 7.26 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 31 K 8.00 4.31 0.00 1.80 1.88 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 32 L 7.51 5.07 0.00 1.47 1.22 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.82 5.42 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 34 W 9.60 5.49 0.00 3.40 3.35 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 35 Y 9.90 5.15 0.00 3.35 3.17 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 36 R 9.03 4.16 0.00 0.67 1.09 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 37 Q 8.28 4.65 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 38 S 8.34 4.49 0.00 3.78 3.77 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 39 F 8.84 4.14 0.00 2.99 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 40 G 7.73 3.65 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 0.00 0.00 0.00 41 K 7.44 4.60 0.00 1.79 1.68 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.46 7.81 42 V 8.04 3.77 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 0.84 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.69 0.00 2.16 2.22 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 44 Q 9.13 4.80 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 45 Y 9.17 3.96 0.00 3.01 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 46 F 8.85 4.73 0.00 3.00 3.06 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 47 V 7.21 4.54 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 0.49 0.00 0.00 0.29 0.00 0.00 48 R 8.98 5.52 0.00 2.15 2.26 0.00 2.88 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 49 Y 8.90 5.05 0.00 2.78 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 50 Y 7.65 4.55 0.00 2.95 2.61 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 51 S 7.43 4.39 0.00 3.59 3.71 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 52 S 7.18 4.73 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.93 4.49 0.00 2.72 2.96 0.00 0.00 6.91 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 54 S 7.98 4.17 0.00 3.73 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 55 G 10.05 4.29 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 0.00 56 Y 6.82 5.44 0.00 2.91 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 57 K 9.19 4.41 0.00 1.24 1.57 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.06 7.81 58 F 9.08 4.42 0.00 2.99 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 59 A 8.13 4.14 0.75 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 60 E 8.80 4.00 0.00 2.07 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 2.46 2.30 0.00 61 G 8.93 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 0.00 0.00 0.00 62 F 7.74 4.10 0.00 3.00 3.07 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 63 K 7.69 3.96 0.00 1.62 1.56 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.18 7.81 64 D 7.38 4.15 0.00 2.25 2.56 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 65 S 8.55 4.10 0.00 3.80 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 66 R 8.31 4.07 0.00 1.83 1.87 0.00 3.23 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 67 F 8.54 5.11 0.00 2.99 3.18 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 0.00 68 S 8.94 4.43 0.00 3.95 3.62 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 *70 T 8.62 4.44 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 71 V 8.49 5.01 2.56 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 1.32 0.00 0.00 1.19 0.00 0.00 72 N 8.87 4.97 0.00 3.02 2.99 0.00 0.00 6.57 7.68 0.00 0.00 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 D 8.88 4.50 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.83 4.52 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 75 K 8.61 4.93 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.53 7.81 76 F 9.22 5.63 0.00 2.98 3.09 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 77 D 8.79 5.02 0.00 2.58 2.54 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 0.00 0.00 0.00 0.00 78 L 7.93 4.25 0.00 0.27 0.24 0.82 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 79 N 9.07 5.28 0.00 2.60 2.55 0.00 0.00 6.34 7.40 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 80 I 8.33 4.62 1.55 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 -0.11 0.39 0.45 0.00 0.00 81 I 8.48 4.32 1.79 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 1.09 0.44 0.90 0.00 0.00 82 G 9.00 3.57 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 0.00 0.00 0.00 83 T 8.34 4.14 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 1.33 0.00 0.00 84 R 9.23 4.96 0.00 1.82 1.95 0.00 3.18 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 85 E 8.31 2.63 0.00 1.79 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.75 0.00 86 D 7.91 4.43 0.00 2.68 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.45 4.76 0.00 3.00 2.95 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 88 G 7.99 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 89 G 7.33 3.78 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 0.00 0.00 0.00 90 E 7.88 5.19 0.00 1.67 1.57 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 2.27 2.29 0.00 91 Y 8.94 4.80 0.00 2.85 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 92 F 9.58 5.68 0.00 2.91 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.39 4.88 0.00 1.23 2.45 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 0.00 0.00 0.00 0.00 94 G 9.39 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.68 5.12 0.00 1.86 1.65 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 2.07 2.08 0.00 96 V 8.37 3.91 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 0.73 0.00 0.00 0.87 0.00 0.00 97 E 9.02 4.45 0.00 1.90 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 2.12 2.33 0.00 98 G 8.32 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 0.00 0.00 0.00 99 N 9.14 4.54 0.00 2.69 2.85 0.00 0.00 6.54 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 0.00 100 T 7.48 4.64 4.16 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 1.17 0.00 0.00 101 I 7.89 4.66 1.55 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.62 0.39 0.00 0.00 102 K 8.53 4.41 0.00 1.75 1.75 0.00 1.18 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.62 1.28 7.81 103 F 8.67 5.06 0.00 2.88 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 0.00 104 T 9.00 4.45 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 1.17 0.00 0.00 105 S 7.75 4.76 0.00 3.96 3.71 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 0.00 106 G 8.59 4.91 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 0.00 0.00 0.00 107 T 9.46 5.38 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 1.29 0.00 0.00 108 R 9.20 4.89 0.00 1.96 1.87 0.00 3.20 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 109 L 9.17 5.14 0.00 1.82 1.70 0.75 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.99 5.05 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 111 F 8.73 4.74 0.00 2.97 2.97 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 * Residues marked with a * may have inaccurate shift predictions.