NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4368 0.0000 0.0000 62.4181 32.8091 176.6200 7 D 4.5895 8.0392 114.3559 50.7147 41.5648 173.2748 8 K 4.3152 7.9922 116.4324 58.6085 35.3364 178.0912 9 T 4.3438 8.1922 109.8111 59.8643 69.8822 174.3331 10 Y 3.8848 8.6097 119.4833 61.1850 38.3790 177.9636 11 E 4.1548 8.5015 118.9724 59.7862 29.9072 179.3739 12 E 4.2785 8.0547 113.7450 57.6385 29.1459 178.8532 *14 V 3.9986 7.8143 121.1242 62.8140 33.4866 177.4291 15 K 3.9299 8.2415 120.3895 59.5142 31.8496 178.4326 16 E 3.9851 8.2178 119.6642 59.1024 29.5000 178.9371 17 V 3.5596 7.7000 117.9724 65.9167 31.7015 177.4716 18 E 3.9141 8.4983 119.4224 59.1455 29.3778 178.7787 19 R 3.8848 8.0906 118.7557 59.4902 30.2194 178.5187 20 L 3.9926 8.1367 118.9145 57.7828 41.5888 179.7132 21 K 4.0967 8.3127 118.5906 59.4174 31.8294 179.4096 22 L 4.0889 8.0615 119.3013 57.3847 41.4802 179.0598 23 E 3.9510 8.5580 119.9430 58.8917 29.5177 178.0851 24 N 4.2296 8.6230 117.6150 56.7232 39.1556 176.5487 25 K 3.8652 7.9627 120.7841 60.0407 32.0027 178.8073 26 T 4.0959 7.4228 114.9045 66.6408 68.5054 176.4528 27 L 4.1464 8.1466 121.1622 57.5915 41.7074 179.7240 28 K 4.0253 8.2197 118.8357 59.4322 31.8170 179.2274 29 Q 4.1679 7.8689 116.4114 57.8484 28.7212 177.8303 30 K 4.2834 7.5232 118.2808 57.1881 32.4254 176.7993 31 V 4.0606 7.3593 109.2964 62.5814 33.8187 175.3143 *41 D 4.4240 7.6392 117.1881 54.1586 42.0056 174.3822 42 S 4.6824 8.1127 116.4223 56.0859 65.6559 173.8046 43 I 3.7863 8.2250 126.9989 61.0949 37.4359 175.6977 44 L 4.1095 8.3336 126.9962 54.9663 42.6896 177.4590 45 T 4.1726 8.3393 122.2893 63.2967 70.6242 175.4453 46 A 4.0651 8.4770 124.3159 54.9670 18.4548 180.1824 47 A 3.9270 7.8751 119.1847 55.3021 18.5669 179.6517 48 K 3.9090 7.9745 117.7478 59.3649 32.2384 178.9133 49 R 3.8590 8.0564 119.2293 59.3842 30.0022 178.0868 50 E 3.9078 8.2190 119.1471 59.2954 29.6439 178.7155 51 S 4.0965 8.2771 113.2503 61.4836 62.3942 176.2941 52 I 3.7600 7.9726 122.5570 64.2968 36.8602 178.4498 53 I 3.6893 8.0236 120.9592 64.4459 36.9997 178.7386 54 V 3.6063 7.9961 119.3278 65.9330 31.4095 178.2516 55 S 4.3898 8.1049 114.0126 61.6960 62.8921 176.5910 56 S 4.1811 8.4675 119.3411 61.4187 62.5183 176.8930 57 S 4.1141 8.2274 117.7937 61.6419 62.5511 177.0166 58 R 3.6444 8.0318 120.5907 58.8579 29.7650 178.9602 59 A 4.0684 8.1626 120.5649 55.2140 18.3924 179.6111 60 L 4.0367 8.1699 117.7456 58.0564 41.5210 180.0647 61 G 3.5892 8.4832 104.4278 47.6559 0.0000 175.2669 62 A 4.1349 7.7231 122.3371 54.9635 18.7244 179.5596 63 V 3.7248 7.7598 116.3154 65.8730 31.6276 179.2612 64 A 4.0194 8.0659 119.3184 52.4018 18.3370 179.3040 *66 R 4.3670 8.0331 119.6839 57.7560 31.8235 177.9611 67 K 3.9971 8.1880 118.1235 59.2199 31.8793 179.3698 68 I 3.6937 8.2719 120.4541 64.3972 37.0618 178.0799 69 E 3.8956 8.1861 119.3983 59.0828 29.4746 178.4525 70 A 3.9738 7.8936 120.4443 55.1586 18.4047 179.7860 71 K 3.8748 8.0989 116.8739 59.5245 32.0797 179.5958 72 V 3.5700 8.0260 118.7873 66.2168 31.1939 178.1160 73 R 3.9041 7.7052 116.1168 59.3069 30.2964 178.6876 74 S 4.2254 7.9978 112.6360 61.7128 62.2599 176.5656 75 R 3.9607 8.0964 119.2073 58.9245 29.9973 178.3926 76 A 4.1865 8.5380 119.7986 53.3407 18.3508 178.9751 77 A 3.9313 7.5230 119.5773 55.2403 18.4832 179.1694 78 K 4.0134 7.9798 113.7061 58.8178 33.1729 177.2395 79 A 4.1540 7.9735 124.1434 52.0892 18.7955 177.0535 80 V 4.1729 8.7519 121.5799 63.3372 33.7989 176.2719 81 T 4.5771 8.3431 110.0926 59.7512 72.0349 175.6142 82 E 3.9201 8.4312 120.6344 59.9024 29.6260 179.6513 83 Q 4.0346 8.0755 117.4365 58.9177 28.7646 178.8155 84 E 3.9491 7.9809 119.2033 59.2255 29.4840 179.1458 85 L 3.8968 8.2499 120.6581 58.4726 42.3487 178.7953 86 T 3.8466 8.4472 116.0650 66.8477 68.4961 176.4079 87 S 4.0481 8.1402 114.6206 61.2855 62.2521 175.7361 88 L 3.9489 7.5653 121.5520 58.1594 41.9856 178.6544 89 L 4.1289 8.0901 118.7911 58.1448 41.4577 179.6892 90 Q 4.0155 7.8027 116.0328 58.3573 28.6822 178.1654 91 S 4.4263 7.5474 112.6165 58.0517 63.9673 174.3492 92 L 4.3100 7.4115 123.5656 54.8165 42.2279 176.6407 93 T 4.5580 8.2112 117.9597 62.0709 71.8460 173.2586 94 L 4.6548 8.5102 126.2374 52.7101 44.1388 175.8116 95 R 4.4151 8.4834 123.0630 54.6299 30.8533 175.2808 96 V 4.3888 8.2772 124.9314 60.9840 33.8164 173.9950 97 D 4.9932 8.6068 126.3947 52.6161 42.6465 176.1898 98 V 4.8476 8.1553 116.3134 59.7405 36.4175 174.9219 99 S 4.2801 8.4155 120.8284 57.4068 63.3673 176.0373 *101 E 4.2814 8.7971 115.8994 55.7286 30.9543 176.3681 102 E 4.2922 8.1547 118.2615 56.8397 30.0829 176.7965 103 L 4.1944 7.7726 119.5187 55.0462 42.1577 176.3381 104 E 4.3928 9.3173 123.7159 55.5565 30.4791 176.3045 105 H 4.3311 8.9329 123.6158 59.3139 30.3198 174.4290 106 H 5.1087 7.8210 121.3494 56.9223 29.5953 172.5624 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 6 P 0.00 4.44 0.00 2.06 2.14 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 7 D 8.04 4.59 0.00 2.77 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 8 K 7.99 4.32 0.00 1.81 1.88 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.24 1.72 7.81 9 T 8.19 4.34 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 1.21 0.00 0.00 10 Y 8.61 3.88 0.00 2.99 3.10 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 0.00 0.00 0.00 11 E 8.50 4.15 0.00 2.06 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 2.44 2.38 0.00 12 E 8.05 4.28 0.00 2.15 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 2.40 2.22 0.00 *14 V 7.81 4.00 2.23 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 1.09 0.00 0.00 1.11 0.00 0.00 15 K 8.24 3.93 0.00 2.05 1.82 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 16 E 8.22 3.99 0.00 2.16 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 2.31 2.36 0.00 17 V 7.70 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 1.05 0.00 0.00 0.91 0.00 0.00 18 E 8.50 3.91 0.00 2.07 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 2.31 2.32 0.00 19 R 8.09 3.88 0.00 2.05 2.06 0.00 3.14 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 1.63 1.67 0.00 20 L 8.14 3.99 0.00 1.93 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.31 4.10 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.73 7.81 22 L 8.06 4.09 0.00 1.83 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.56 3.95 0.00 2.11 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 2.30 2.31 0.00 24 N 8.62 4.23 0.00 2.82 3.03 0.00 0.00 6.83 7.07 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 25 K 7.96 3.87 0.00 1.88 2.03 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 T 7.42 4.10 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 27 L 8.15 4.15 0.00 1.89 1.71 0.95 0.93 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 28 K 8.22 4.03 0.00 1.95 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 29 Q 7.87 4.17 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 30 K 7.52 4.28 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.68 7.81 31 V 7.36 4.06 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 0.73 0.00 0.00 0.99 0.00 0.00 *41 D 7.64 4.42 0.00 2.64 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 42 S 8.11 4.68 0.00 3.80 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 43 I 8.23 3.79 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 1.30 0.92 0.91 0.00 0.00 44 L 8.33 4.11 0.00 1.59 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.34 4.17 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 1.26 0.00 0.00 46 A 8.48 4.07 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 47 A 7.88 3.93 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 48 K 7.97 3.91 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 49 R 8.06 3.86 0.00 1.94 2.05 0.00 3.15 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 1.63 1.64 0.00 50 E 8.22 3.91 0.00 2.25 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 2.31 2.37 0.00 51 S 8.28 4.10 0.00 4.04 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 52 I 7.97 3.76 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 1.53 0.70 0.92 0.00 0.00 53 I 8.02 3.69 2.06 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 1.41 1.02 0.91 0.00 0.00 54 V 8.00 3.61 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 1.06 0.00 0.00 0.95 0.00 0.00 55 S 8.10 4.39 0.00 4.29 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 0.00 56 S 8.47 4.18 0.00 3.94 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 57 S 8.23 4.11 0.00 4.01 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 58 R 8.03 3.64 0.00 1.46 0.94 0.00 2.77 0.00 0.00 2.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.70 0.00 59 A 8.16 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.04 0.00 1.84 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.13 1.41 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 63 V 7.76 3.72 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 1.01 0.00 0.00 1.10 0.00 0.00 64 A 8.07 4.02 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 *66 R 8.03 4.37 0.00 2.03 2.24 0.00 2.97 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 1.87 1.66 0.00 67 K 8.19 4.00 0.00 1.97 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.64 7.81 68 I 8.27 3.69 1.93 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 1.40 0.81 0.91 0.00 0.00 69 E 8.19 3.90 0.00 2.03 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 2.38 0.00 70 A 7.89 3.97 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 71 K 8.10 3.87 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 72 V 8.03 3.57 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 1.11 0.00 0.00 0.96 0.00 0.00 73 R 7.71 3.90 0.00 2.07 1.99 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 74 S 8.00 4.23 0.00 3.91 3.99 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 75 R 8.10 3.96 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 76 A 8.54 4.19 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 77 A 7.52 3.93 1.41 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 78 K 7.98 4.01 0.00 1.88 1.96 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.43 7.81 79 A 7.97 4.15 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 80 V 8.75 4.17 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 0.89 0.00 0.00 0.93 0.00 0.00 81 T 8.34 4.58 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 1.21 0.00 0.00 82 E 8.43 3.92 0.00 2.03 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 2.40 2.40 0.00 83 Q 8.08 4.03 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 84 E 7.98 3.95 0.00 2.19 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 2.33 2.31 0.00 85 L 8.25 3.90 0.00 1.80 1.79 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.45 3.85 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 1.24 0.00 0.00 87 S 8.14 4.05 0.00 3.95 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 88 L 7.57 3.95 0.00 1.82 1.86 0.97 1.07 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 89 L 8.09 4.13 0.00 1.87 1.70 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.80 4.02 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 91 S 7.55 4.43 0.00 4.04 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 92 L 7.41 4.31 0.00 1.84 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.21 4.56 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 1.21 0.00 0.00 94 L 8.51 4.65 0.00 1.59 1.55 0.92 0.92 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 95 R 8.48 4.42 0.00 1.75 1.83 0.00 3.18 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 96 V 8.28 4.39 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 0.90 0.00 0.00 0.93 0.00 0.00 97 D 8.61 4.99 0.00 2.68 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 98 V 8.16 4.85 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 0.78 0.00 0.00 0.93 0.00 0.00 99 S 8.42 4.28 0.00 3.92 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 *101 E 8.80 4.28 0.00 2.13 2.17 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 2.18 2.35 0.00 102 E 8.15 4.29 0.00 2.25 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 0.00 2.32 2.28 0.00 103 L 7.77 4.19 0.00 1.65 1.65 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.32 4.39 0.00 1.92 1.90 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 2.33 2.43 0.00 105 H 8.93 4.33 0.00 3.08 3.38 0.00 5.94 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 0.00 106 H 7.82 5.11 0.00 2.98 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.91 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.