NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6934 8.4449 120.3963 55.8798 31.0654 173.1912 4 L 3.9801 8.6313 127.2291 56.4699 41.8842 175.9199 5 R 4.1883 8.5775 117.8272 54.7074 32.3450 174.9694 6 I 2.5657 7.1415 122.8123 58.9439 37.7064 174.5103 7 P 3.9639 0.0000 0.0000 62.2341 31.5469 177.6445 8 K 4.0073 8.4042 120.8023 58.9084 32.6483 177.1950 9 N 4.7929 8.0248 115.5050 52.6177 37.9093 174.9912 10 W 4.7685 8.0213 119.4739 56.8104 30.3269 174.7515 11 T 5.0942 8.6702 109.4146 60.2536 72.5751 172.7415 12 I 3.7970 7.5047 122.8622 61.0878 36.8549 176.2167 13 Q 4.2474 8.8890 126.3342 57.9314 30.1037 176.6162 14 R 4.6059 7.7628 119.3969 54.5572 33.7379 173.7069 15 S 5.1720 8.5993 122.1668 56.9683 64.6700 174.0523 16 T 4.3469 8.7512 120.4736 61.2575 68.1843 172.1514 17 P 4.3391 0.0000 0.0000 61.1488 33.3783 175.3795 18 F 4.4916 8.0276 118.6653 58.0621 39.2742 175.1320 19 F 5.4453 9.0884 122.0947 55.9976 42.4895 174.2894 20 T 5.2839 8.7479 110.1380 59.7548 72.3532 174.5773 21 K 4.1002 9.0150 121.6676 58.8646 32.3182 177.0035 22 D 4.6808 7.9898 117.6112 55.7232 41.3020 176.8199 23 N 5.0690 8.1084 114.5206 52.1542 37.8328 173.9618 24 V 3.6028 7.4636 118.8160 60.3693 32.6920 174.1943 25 P 4.2393 0.0000 0.0000 62.2106 31.6963 177.2459 26 E 4.0321 8.8934 122.4042 59.0242 28.8030 179.3947 27 A 3.9404 7.8197 120.9218 55.0425 18.3310 179.3452 28 L 4.0944 7.7167 115.9338 56.9210 41.5316 178.0609 29 L 4.4260 7.5494 117.8902 55.2536 42.4591 176.1899 30 T 4.5699 7.1825 112.9286 60.8167 68.8187 173.6536 31 H 4.4173 8.7216 125.6692 57.6804 30.5135 173.5200 32 H 4.5770 8.7018 121.6570 55.0659 31.9806 171.8021 33 N 5.1278 7.6528 114.2430 50.6562 40.3274 174.0820 34 T 4.4543 8.2207 110.2651 60.2181 71.0106 173.9185 35 A 4.1919 8.3953 123.8861 51.9471 18.8831 178.9326 36 V 3.8241 8.3693 112.9132 63.9062 31.7587 176.5671 37 D 5.1506 7.8301 118.7794 52.8688 39.7352 175.3886 38 V 4.9743 7.9319 118.4872 62.5334 35.3483 173.8805 39 F 4.9920 10.1434 126.9571 56.1002 41.3802 174.8700 40 G 4.3335 9.3267 110.8418 44.6386 0.0000 172.0286 41 Q 4.9769 9.2979 128.5021 54.3983 30.8463 174.3853 42 I 4.6168 8.8965 129.3362 61.0792 38.4265 174.8446 43 C 5.2176 9.5366 126.2543 58.1607 30.5785 174.0850 44 V 4.7904 8.4307 123.4003 61.3672 34.2736 173.7005 *46 E 4.1232 8.4566 122.7850 57.0875 31.1004 176.5672 47 G 4.0794 8.6029 110.8472 43.6587 0.0000 172.5275 48 V 4.6725 8.8069 117.9062 61.0405 35.3676 175.7379 49 V 4.8175 8.6035 127.1864 61.3160 34.0206 174.1047 50 T 4.8551 9.1833 119.6748 60.7655 70.5176 172.9863 51 Y 5.0723 9.1611 128.4962 56.1673 41.0874 173.6459 52 Y 4.8947 8.9850 123.8954 56.0146 41.4752 174.7786 53 G 4.6411 8.9047 110.8094 43.4475 0.0000 171.7682 54 F 5.1769 8.4859 121.4559 55.0896 41.4356 175.5154 55 A 4.4134 9.0391 126.0338 55.3052 18.5717 177.0256 56 N 4.8152 7.9588 110.2426 51.6964 39.8430 175.2448 57 S 2.7900 8.1972 115.2490 60.9690 62.7190 175.8159 58 E 4.0413 7.6370 115.1862 56.3700 30.1722 176.3795 59 A 4.0169 7.9796 124.3880 52.8567 18.5886 177.1951 60 T 4.2002 8.5077 116.9270 62.1772 68.2530 174.0986 61 E 4.9626 7.9553 120.1459 53.8124 32.1007 173.9735 62 P 3.8237 0.0000 0.0000 62.7515 31.8951 175.9315 63 E 4.4917 8.9082 118.2588 57.0488 30.9234 175.8849 64 I 4.5253 7.2743 120.9266 59.5746 41.8108 173.0025 65 K 4.7681 8.6608 129.8681 54.7402 34.4761 175.3429 66 V 4.4931 8.6973 120.7062 59.4666 35.8632 174.8985 67 V 4.3774 8.3290 123.9536 61.8278 32.9261 174.8978 68 I 4.4360 8.5975 128.5745 59.8394 39.8379 175.1955 69 N 5.0513 9.0062 124.8211 50.9992 41.6225 174.3308 70 A 4.3751 8.4049 122.6104 54.1596 18.6999 178.2460 71 G 4.0152 8.9903 110.6197 45.1549 0.0000 172.9674 72 Q 4.8627 7.8921 118.1735 54.0700 32.6070 174.2789 73 F 5.5096 7.8494 113.7099 55.6795 41.2736 173.4563 74 A 4.7803 9.2225 120.8660 50.5247 22.3690 174.9964 75 T 5.1303 8.5815 117.6148 61.9646 71.1629 173.8853 76 S 4.8337 9.5595 123.6796 56.5798 64.6833 172.4101 77 P 4.0824 0.0000 0.0000 61.0702 32.7466 174.1128 78 P 4.4355 0.0000 0.0000 63.8899 31.4914 176.5865 79 Q 3.5793 8.3679 119.8772 56.4086 27.5267 172.7358 80 Y 4.5088 8.0496 121.4452 57.0935 40.0351 174.5084 81 W 4.4489 8.6341 127.4081 56.6831 30.6244 175.0809 82 H 5.5401 9.2209 119.6390 54.6249 32.4140 171.9929 83 R 4.9647 9.1046 118.0994 54.8052 33.7244 173.5848 84 I 5.2596 8.0309 124.6556 59.6375 40.6691 174.8172 85 E 4.8491 9.3509 124.4109 54.6668 33.2852 175.0017 86 L 5.2553 8.6564 122.6600 53.1523 44.7943 175.9673 87 S 4.7233 8.3197 115.1615 57.0545 64.9134 175.0584 88 D 4.3732 8.9350 120.9743 57.0979 40.3645 177.3341 89 D 4.7508 8.0052 115.9793 52.6934 39.9162 175.6075 90 A 4.5212 7.8286 122.3891 52.8331 18.9947 177.4359 91 Q 4.9246 9.0588 122.5733 54.8109 32.6690 173.7653 92 F 5.3315 8.9552 120.0540 56.9219 42.0577 171.9240 93 N 5.1557 9.4961 115.0332 51.9544 40.9435 173.4236 94 I 5.1087 8.3847 119.4596 59.6189 41.3156 174.0684 95 N 4.9905 8.8862 123.5099 51.4252 41.3674 173.4496 96 F 5.3277 8.7802 122.9987 55.9638 40.9890 174.9243 97 W 5.4291 9.7250 124.9425 55.6555 31.5927 175.6231 98 S 4.3711 9.0616 117.0747 57.1990 66.8823 172.9773 99 D 3.8449 7.0160 119.3920 53.1408 40.6050 176.0660 100 Q 3.8302 8.6403 128.9399 59.1220 29.2665 176.8661 101 D 4.7795 7.9519 115.3387 54.1230 41.5224 177.9386 102 K 3.8548 8.1116 123.9235 59.6124 31.8107 178.9184 103 S 4.2021 8.0061 112.9886 61.6038 62.9087 176.3445 104 G 3.6970 7.9367 107.8055 47.2942 0.0000 175.4259 105 K 4.1583 7.8193 120.0582 58.8403 32.1144 177.2710 106 K 4.1675 7.8023 122.2049 56.5683 32.0863 176.5294 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 3 H 8.44 4.69 0.00 3.16 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.63 3.98 0.00 1.70 1.69 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.58 4.19 0.00 1.67 1.80 0.00 3.14 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 6 I 7.14 2.57 0.99 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.17 0.00 0.00 7 P 0.00 3.96 0.00 1.25 1.63 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.41 0.00 8 K 8.40 4.01 0.00 1.81 1.85 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 9 N 8.02 4.79 0.00 2.97 3.05 0.00 0.00 6.08 8.88 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 10 W 8.02 4.77 0.00 3.52 3.53 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 11 T 8.67 5.09 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 1.34 0.00 0.00 12 I 7.50 3.80 1.40 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 -0.30 -0.36 0.64 0.00 0.00 13 Q 8.89 4.25 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 14 R 7.76 4.61 0.00 1.85 1.84 0.00 3.15 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 15 S 8.60 5.17 0.00 3.66 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 16 T 8.75 4.35 4.58 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 1.15 0.00 0.00 17 P 0.00 4.34 0.00 1.78 1.81 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.80 0.00 18 F 8.03 4.49 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 9.09 5.45 0.00 2.10 2.64 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 20 T 8.75 5.28 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 1.24 0.00 0.00 21 K 9.02 4.10 0.00 1.81 1.94 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.48 1.56 7.81 22 D 7.99 4.68 0.00 2.79 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 23 N 8.11 5.07 0.00 2.88 2.91 0.00 0.00 6.02 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 24 V 7.46 3.60 2.31 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 0.77 0.00 0.00 0.83 0.00 0.00 25 P 0.00 4.24 0.00 1.98 1.90 0.00 2.53 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 26 E 8.89 4.03 0.00 1.98 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 2.39 2.37 0.00 27 A 7.82 3.94 1.24 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 0.00 0.00 0.00 28 L 7.72 4.09 0.00 1.79 1.93 0.90 1.04 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 29 L 7.55 4.43 0.00 1.87 1.71 1.06 0.55 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 30 T 7.18 4.57 4.33 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 1.22 0.00 0.00 31 H 8.72 4.42 0.00 3.11 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.70 4.58 0.00 2.97 3.29 0.00 5.27 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.65 5.13 0.00 2.10 1.42 0.00 0.00 6.40 7.71 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 34 T 8.22 4.45 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 1.49 0.00 0.00 35 A 8.40 4.19 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 36 V 8.37 3.82 2.12 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 0.85 0.00 0.00 0.95 0.00 0.00 37 D 7.83 5.15 0.00 2.73 2.73 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 0.00 0.00 0.00 38 V 7.93 4.97 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 1.33 0.00 0.00 0.97 0.00 0.00 39 F 10.14 4.99 0.00 3.36 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 40 G 9.33 4.33 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 0.00 41 Q 9.30 4.98 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.92 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 42 I 8.90 4.62 1.98 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.96 0.00 0.00 43 C 9.54 5.22 0.00 3.16 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 44 V 8.43 4.79 2.37 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 1.09 0.00 0.00 1.05 0.00 0.00 *46 E 8.46 4.12 0.00 2.13 1.83 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 2.26 2.39 0.00 47 G 8.60 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 0.00 0.00 0.00 48 V 8.81 4.67 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 0.94 0.00 0.00 0.95 0.00 0.00 49 V 8.60 4.82 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 0.83 0.00 0.00 0.73 0.00 0.00 50 T 9.18 4.86 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 1.24 0.00 0.00 51 Y 9.16 5.07 0.00 3.08 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 52 Y 8.99 4.89 0.00 2.97 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 53 G 8.90 4.64 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 54 F 8.49 5.18 0.00 2.84 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 55 A 9.04 4.41 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 56 N 7.96 4.82 0.00 2.86 2.91 0.00 0.00 6.21 7.64 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 57 S 8.20 2.79 0.00 3.49 3.32 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 58 E 7.64 4.04 0.00 1.94 1.92 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 2.48 2.17 0.00 59 A 7.98 4.02 1.40 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 0.00 0.00 60 T 8.51 4.20 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 1.21 0.00 0.00 61 E 7.96 4.96 0.00 2.04 1.89 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 2.28 2.31 0.00 62 P 0.00 3.82 0.00 2.11 1.59 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 63 E 8.91 4.49 0.00 1.99 2.15 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 2.46 2.35 0.00 64 I 7.27 4.53 1.92 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 1.27 1.35 1.14 0.00 0.00 65 K 8.66 4.77 0.00 1.57 1.51 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.96 0.53 7.81 66 V 8.70 4.49 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 0.57 0.00 0.00 0.89 0.00 0.00 67 V 8.33 4.38 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 0.78 0.00 0.00 0.90 0.00 0.00 68 I 8.60 4.44 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.92 0.00 0.00 69 N 9.01 5.05 0.00 2.81 2.76 0.00 0.00 6.44 7.35 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 70 A 8.40 4.38 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 71 G 8.99 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 72 Q 7.89 4.86 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 73 F 7.85 5.51 0.00 3.11 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 74 A 9.22 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.58 5.13 4.32 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 1.46 0.00 0.00 76 S 9.56 4.83 0.00 3.81 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 77 P 0.00 4.08 0.00 1.99 1.90 0.00 3.59 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 1.83 2.11 0.00 78 P 0.00 4.44 0.00 1.94 2.07 0.00 3.14 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 79 Q 8.37 3.58 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 80 Y 8.05 4.51 0.00 3.21 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 81 W 8.63 4.45 0.00 3.17 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 82 H 9.22 5.54 0.00 2.58 3.26 0.00 5.21 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.10 4.96 0.00 1.92 1.96 0.00 2.91 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.77 0.00 84 I 8.03 5.26 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.83 0.00 0.00 85 E 9.35 4.85 0.00 2.05 1.88 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 2.23 2.35 0.00 86 L 8.66 5.26 0.00 1.59 1.67 1.23 0.80 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 87 S 8.32 4.72 0.00 3.99 4.01 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 88 D 8.93 4.37 0.00 2.72 2.82 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 89 D 8.01 4.75 0.00 2.83 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 90 A 7.83 4.52 1.43 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 0.00 0.00 0.00 91 Q 9.06 4.92 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.56 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 92 F 8.96 5.33 0.00 3.55 3.23 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 93 N 9.50 5.16 0.00 2.61 2.82 0.00 0.00 7.20 7.46 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 94 I 8.38 5.11 1.86 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.24 0.19 0.00 0.00 95 N 8.89 4.99 0.00 2.74 2.38 0.00 0.00 6.73 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.78 5.33 0.00 3.03 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 97 W 9.72 5.43 0.00 3.56 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 98 S 9.06 4.37 0.00 3.66 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 99 D 7.02 3.84 0.00 1.65 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 0.00 0.00 0.00 0.00 100 Q 8.64 3.83 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 101 D 7.95 4.78 0.00 2.75 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 0.00 102 K 8.11 3.85 0.00 1.83 1.69 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.71 7.81 103 S 8.01 4.20 0.00 4.03 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 0.00 104 G 7.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 4.16 0.00 1.91 1.89 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.75 7.81 106 K 7.80 4.17 0.00 1.77 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.