NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3968 8.3193 115.4078 57.7314 64.2902 173.1676 6 S 4.1594 8.2762 116.3070 56.8472 63.5782 171.6946 7 P 4.4632 0.0000 0.0000 62.7369 32.7305 178.3974 8 K 4.2391 9.4673 121.5117 58.3506 32.8955 179.2195 9 R 3.6591 8.3688 119.5189 59.3277 29.7809 176.4715 10 P 4.0693 0.0000 0.0000 65.7059 31.2581 178.2628 11 Y 3.9919 8.1864 115.5309 60.9366 37.7309 178.2691 12 L 4.2655 8.0234 119.6047 57.5343 41.7566 179.0306 13 L 4.3029 8.2036 120.7054 58.5451 42.0074 179.3764 14 R 3.9942 8.1414 117.7128 58.9895 29.9372 178.9574 15 A 4.0681 8.2668 120.6851 55.6666 18.4363 179.4266 16 Y 4.0481 8.7950 115.6591 61.0417 37.8960 177.9151 17 Y 4.0851 8.7182 121.0367 60.9772 38.8940 178.0028 18 D 4.4307 8.6827 120.0161 57.0596 40.7894 178.6055 19 W 4.0392 8.4474 128.8756 60.3278 30.6364 177.9128 20 L 3.8647 8.5418 119.2989 57.9673 41.1832 179.7281 21 V 3.3586 7.5550 117.9430 66.0595 31.2021 177.7384 22 D 4.3576 8.0389 117.4840 56.1948 40.5526 177.3444 23 N 4.2821 6.7020 115.5304 51.7314 38.8679 174.6698 24 S 3.5928 7.3060 114.5270 59.6238 61.0254 171.9802 25 F 5.3341 7.7109 117.4104 56.5314 41.1321 176.2558 26 T 4.3630 9.3051 119.4316 61.9314 69.6059 172.5164 27 P 4.9653 0.0000 0.0000 62.4690 32.8456 175.1333 28 Y 4.6899 8.9042 122.2119 55.8288 41.5607 174.2308 29 L 5.1846 8.9784 125.6100 53.2662 44.7890 175.2310 30 V 4.5470 9.0296 127.5507 62.4628 33.0105 174.7510 31 V 4.8553 9.0320 127.9302 61.2023 34.9577 174.1101 32 D 5.3397 9.4216 127.9848 52.4927 40.8233 176.1251 33 A 4.4697 9.1973 126.3747 53.0485 18.3286 177.8027 34 T 4.2763 8.2716 105.5499 61.8045 69.8639 174.8927 35 Y 4.0290 7.9705 125.4081 57.2033 39.3466 175.1264 36 L 4.0448 7.9136 127.7712 56.3549 42.0890 177.4546 37 G 4.1439 8.9589 111.6038 45.0971 0.0000 173.9494 38 V 3.8991 7.3192 120.0603 63.1832 32.2611 175.1421 39 N 4.9423 9.6181 126.4301 52.0633 41.1848 173.1913 40 V 4.7177 8.0909 117.8274 58.4633 36.4335 173.8357 41 P 4.1347 0.0000 0.0000 62.9169 31.7591 177.8054 42 V 3.6860 8.6561 117.1207 64.6256 31.6450 177.2709 43 E 4.0093 8.3237 115.6634 59.3583 29.3106 177.4247 44 Y 4.3614 7.5984 118.3134 55.8609 36.3036 175.1772 45 V 4.2895 7.4245 119.0817 61.2201 32.9078 172.4202 46 K 4.3970 8.4638 125.2438 55.7498 33.8920 176.6837 47 D 4.4129 9.8628 121.5359 54.5769 38.7683 174.8439 48 G 3.9737 8.1389 106.7734 45.4377 0.0000 172.8494 49 Q 5.2199 8.3439 120.1612 54.0407 31.4030 174.8804 50 I 4.8091 8.7453 116.7525 59.0622 42.0039 174.1608 51 V 5.0505 8.4583 120.8710 61.2284 34.1888 174.2691 52 L 4.9036 9.2152 127.7429 52.9063 44.8085 174.9934 53 N 3.5561 8.4323 121.6602 52.3165 39.3991 174.3251 54 L 4.3165 7.9203 125.9369 54.2271 42.6845 177.2300 55 S 4.1962 8.4202 114.8676 57.8777 63.7323 175.2083 56 A 4.0090 8.5576 123.8218 55.3612 17.8891 180.2483 57 S 4.0880 8.0272 111.1180 60.5005 63.4583 175.3083 58 A 4.4984 7.3602 122.3383 51.2493 19.4363 176.1935 59 T 4.9190 6.9267 106.0571 59.5009 72.2566 173.4906 60 G 4.1610 8.9448 110.7097 45.0183 0.0000 172.7523 61 N 4.2726 8.9328 118.1658 53.5851 36.3531 174.6393 62 L 4.4050 8.0157 118.5411 55.6266 43.2971 176.1290 63 Q 4.4921 9.4968 125.0157 54.2831 32.0815 174.4958 64 L 4.9062 8.4836 124.6916 53.2513 41.9218 176.4084 65 T 4.1115 8.1548 120.6121 61.6992 69.9460 175.3758 66 N 4.2902 8.2589 119.6016 55.6828 38.6195 176.1093 67 D 4.8381 7.3869 115.5125 54.3426 42.5819 175.3643 68 F 4.8404 6.8053 112.3913 56.2203 41.1758 172.5596 69 I 5.0355 8.6986 120.6601 59.7536 39.7639 174.8595 70 Q 5.1499 9.0271 126.8972 54.9859 33.1131 173.1795 71 F 5.1342 8.2226 118.8538 56.7643 41.9600 171.9743 72 N 5.6141 9.1902 116.1804 51.7921 41.4885 174.0529 73 A 4.9864 9.0917 122.3180 50.8040 23.5512 174.8289 74 R 4.8865 8.3925 119.8804 54.8786 31.7082 175.6458 75 F 4.4076 9.7263 126.2851 56.2769 41.0155 175.6841 76 K 3.7515 9.7562 127.8279 57.5959 29.1752 176.0389 77 G 3.9282 8.1732 102.0403 45.6795 0.0000 172.3645 78 V 4.4389 7.6367 119.9548 60.6914 34.4239 174.5884 79 S 4.9334 8.8305 123.1947 58.4417 63.0716 173.2108 80 R 4.7615 9.3515 124.9975 54.6558 35.0016 173.2395 81 E 4.8738 8.6406 121.8635 54.6385 31.6037 174.8381 82 L 4.7723 8.4742 126.8663 53.0530 44.6486 174.7503 83 Y 4.9947 8.8354 123.7534 55.8276 42.1654 174.0389 84 I 4.5816 8.4332 127.1371 57.9869 40.3447 174.0392 85 P 4.7450 0.0000 0.0000 61.7770 33.2080 179.9665 *87 G 2.6401 8.9049 114.1135 45.6573 0.0000 172.6746 88 A 3.9537 6.9516 120.3587 52.6276 20.0926 176.8778 89 A 4.5533 7.5008 117.7751 51.7121 18.3517 177.1423 90 L 4.6455 8.8967 123.1040 56.4654 43.5151 176.8217 91 A 3.7597 7.5120 117.3576 51.0328 22.6279 175.0250 92 I 5.2579 7.7565 119.1847 59.7327 41.9037 173.6910 93 Y 5.4378 8.6607 125.3202 55.9841 42.1435 173.0472 94 A 4.8789 9.2382 122.8307 51.0504 19.4094 178.9132 95 R 3.6170 8.6995 120.1075 59.4498 29.6443 177.9556 96 E 3.9147 8.4983 118.4253 58.5915 29.2377 177.0977 97 N 4.6992 7.5793 112.6538 52.0383 38.2653 175.9326 98 G 3.7095 8.4628 106.9391 45.8538 0.0000 173.5363 99 D 4.5515 7.5946 120.8394 52.9658 42.3349 176.3918 100 G 4.2077 7.6881 111.5637 46.6690 0.0000 170.5441 101 V 3.7083 7.0486 117.3947 60.2380 33.9951 174.2097 *103 F 4.9421 8.4909 124.3563 58.2625 39.9840 174.6899 104 E 4.2841 8.7299 123.4949 55.4049 30.1035 175.3147 105 P 4.5868 0.0000 0.0000 62.7721 32.1915 175.9184 106 E 4.7271 8.5552 119.5653 54.4811 33.5123 176.0080 107 E 3.9851 9.1775 123.9431 59.6762 29.9659 179.3936 108 I 3.6202 7.7845 111.3420 64.4129 37.3000 177.3013 109 Y 4.8754 7.3637 114.2245 58.6253 37.2705 175.3865 110 D 4.9108 8.3380 121.0777 55.9347 43.0116 178.1283 111 E 4.0788 8.1585 116.2720 58.4223 29.7588 177.2961 112 L 4.1884 8.3823 119.2869 55.8227 42.3937 176.3445 113 N 4.2937 7.6084 116.8813 53.8173 37.4993 173.3694 114 I 4.3330 7.5000 122.9954 59.3989 41.0075 173.9208 115 E 4.1515 8.6208 126.9622 55.3899 29.3839 175.2642 116 P 4.5624 0.0000 0.0000 61.7057 32.3293 175.9550 117 D 4.5275 8.3729 120.0828 54.7644 41.1385 176.7561 118 T 4.4541 8.3720 110.8386 61.0249 70.1438 173.4307 119 E 4.6918 7.7305 121.2478 54.3837 32.0633 175.8202 120 Q 4.1718 8.3143 120.7413 54.9840 29.6050 174.7563 121 P 4.4022 0.0000 0.0000 63.1238 31.3069 176.4806 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 5 S 8.32 4.40 0.00 3.95 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 6 S 8.28 4.16 0.00 4.13 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 7 P 0.00 4.46 0.00 2.14 1.69 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 8 K 9.47 4.24 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.34 7.81 9 R 8.37 3.66 0.00 2.14 2.03 0.00 2.53 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.65 0.00 10 P 0.00 4.07 0.00 1.99 2.06 0.00 3.98 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 2.16 2.22 0.00 11 Y 8.19 3.99 0.00 3.25 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 12 L 8.02 4.27 0.00 1.92 2.07 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.20 4.30 0.00 1.53 1.77 0.83 1.07 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 14 R 8.14 3.99 0.00 1.91 1.98 0.00 3.08 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 15 A 8.27 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.80 4.05 0.00 3.40 3.27 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 17 Y 8.72 4.09 0.00 3.30 3.22 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 18 D 8.68 4.43 0.00 2.98 2.78 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 19 W 8.45 4.04 0.00 3.38 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 20 L 8.54 3.86 0.00 1.87 1.72 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.55 3.36 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 0.92 0.00 0.00 0.37 0.00 0.00 22 D 8.04 4.36 0.00 2.67 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 23 N 6.70 4.28 0.00 1.64 1.42 0.00 0.00 7.00 7.43 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 24 S 7.31 3.59 0.00 3.76 3.81 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 25 F 7.71 5.33 0.00 2.83 2.76 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 0.00 0.00 0.00 26 T 9.31 4.36 4.37 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 1.27 0.00 0.00 27 P 0.00 4.97 0.00 2.05 1.90 0.00 3.40 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 28 Y 8.90 4.69 0.00 1.84 2.33 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 29 L 8.98 5.18 0.00 1.73 1.55 1.17 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.03 4.55 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 1.01 0.00 0.00 1.13 0.00 0.00 31 V 9.03 4.86 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 0.96 0.00 0.00 1.04 0.00 0.00 32 D 9.42 5.34 0.00 2.88 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 33 A 9.20 4.47 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 34 T 8.27 4.28 4.27 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 1.25 0.00 0.00 35 Y 7.97 4.03 0.00 3.21 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 36 L 7.91 4.04 0.00 1.54 1.53 0.82 0.90 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 37 G 8.96 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.32 3.90 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 0.76 0.00 0.00 1.14 0.00 0.00 39 N 9.62 4.94 0.00 2.79 2.69 0.00 0.00 6.61 7.32 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 40 V 8.09 4.72 1.98 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 0.74 0.00 0.00 0.93 0.00 0.00 41 P 0.00 4.13 0.00 1.79 1.75 0.00 3.09 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.53 0.00 42 V 8.66 3.69 2.09 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 0.71 0.00 0.00 0.94 0.00 0.00 43 E 8.32 4.01 0.00 2.02 2.16 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 2.71 2.60 0.00 44 Y 7.60 4.36 0.00 2.90 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 45 V 7.42 4.29 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 0.83 0.00 0.00 1.01 0.00 0.00 46 K 8.46 4.40 0.00 1.97 1.93 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.59 7.81 47 D 9.86 4.41 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 48 G 8.14 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 49 Q 8.34 5.22 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 50 I 8.75 4.81 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 1.08 0.00 0.00 51 V 8.46 5.05 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 1.23 0.00 0.00 1.10 0.00 0.00 52 L 9.22 4.90 0.00 1.67 1.70 1.12 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.43 3.56 0.00 2.11 2.39 0.00 0.00 6.93 7.78 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 54 L 7.92 4.32 0.00 1.59 1.55 0.94 0.58 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 55 S 8.42 4.20 0.00 3.91 3.92 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 56 A 8.56 4.01 1.34 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 57 S 8.03 4.09 0.00 4.01 3.98 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 58 A 7.36 4.50 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 59 T 6.93 4.92 4.12 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 0.66 0.00 0.00 60 G 8.94 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 0.00 0.00 0.00 0.00 61 N 8.93 4.27 0.00 2.91 2.93 0.00 0.00 6.93 7.85 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 62 L 8.02 4.40 0.00 1.56 1.52 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 9.50 4.49 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.58 0.00 64 L 8.48 4.91 0.00 1.29 1.41 0.28 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.15 4.11 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 0.36 0.00 0.00 66 N 8.26 4.29 0.00 2.58 2.83 0.00 0.00 6.79 8.06 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 67 D 7.39 4.84 0.00 2.75 2.87 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 0.00 0.00 0.00 68 F 6.81 4.84 0.00 2.68 2.94 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 69 I 8.70 5.04 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 1.10 0.00 0.00 70 Q 9.03 5.15 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 71 F 8.22 5.13 0.00 3.33 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 72 N 9.19 5.61 0.00 2.71 2.79 0.00 0.00 7.09 8.52 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 73 A 9.09 4.99 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 74 R 8.39 4.89 0.00 1.82 1.78 0.00 3.19 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 75 F 9.73 4.41 0.00 3.02 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 76 K 9.76 3.75 0.00 2.00 1.91 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.63 7.81 77 G 8.17 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 0.00 0.00 0.00 78 V 7.64 4.44 2.28 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 nan 0.00 0.00 1.03 0.00 0.00 79 S 8.83 4.93 0.00 3.96 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 80 R 9.35 4.76 0.00 1.63 1.60 0.00 2.88 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 81 E 8.64 4.87 0.00 2.02 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 2.11 2.41 0.00 82 L 8.47 4.77 0.00 0.68 1.18 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.84 4.99 0.00 2.84 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 84 I 8.43 4.58 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.30 0.83 0.00 0.00 85 P 0.00 4.75 0.00 2.13 1.82 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.17 0.00 *87 G 8.90 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 0.00 0.00 0.00 88 A 6.95 3.95 1.22 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 0.00 0.00 89 A 7.50 4.55 1.19 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 0.00 0.00 90 L 8.90 4.65 0.00 1.54 1.75 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.51 3.76 1.06 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 92 I 7.76 5.26 2.03 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 0.97 0.00 0.00 93 Y 8.66 5.44 0.00 3.18 2.94 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 94 A 9.24 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.70 3.62 0.00 1.59 1.88 0.00 3.31 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 96 E 8.50 3.91 0.00 1.60 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 2.46 2.41 0.00 97 N 7.58 4.70 0.00 2.81 2.91 0.00 0.00 6.00 7.83 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 98 G 8.46 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 0.00 0.00 0.00 99 D 7.59 4.55 0.00 3.13 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 0.00 100 G 7.69 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 0.00 0.00 0.00 0.00 101 V 7.05 3.71 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 0.30 0.00 0.00 -0.59 0.00 0.00 *103 F 8.49 4.94 0.00 3.09 2.94 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 0.00 104 E 8.73 4.28 0.00 2.04 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 2.35 2.40 0.00 105 P 0.00 4.59 0.00 2.09 2.05 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 106 E 8.56 4.73 0.00 2.09 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 2.31 2.55 0.00 107 E 9.18 3.99 0.00 1.95 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 2.41 2.27 0.00 108 I 7.78 3.62 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.45 0.78 0.00 0.00 109 Y 7.36 4.88 0.00 3.18 3.01 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 0.00 110 D 8.34 4.91 0.00 2.83 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 0.00 111 E 8.16 4.08 0.00 2.02 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 2.33 2.31 0.00 112 L 8.38 4.19 0.00 1.83 1.96 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.61 4.29 0.00 2.41 2.82 0.00 0.00 6.86 7.80 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 0.00 114 I 7.50 4.33 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 1.41 0.70 0.99 0.00 0.00 115 E 8.62 4.15 0.00 1.98 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 2.39 2.30 0.00 116 P 0.00 4.56 0.00 2.00 1.99 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 117 D 8.37 4.53 0.00 2.61 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 0.00 118 T 8.37 4.45 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 1.19 0.00 0.00 119 E 7.73 4.69 0.00 1.92 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 2.18 2.21 0.00 120 Q 8.31 4.17 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 121 P 0.00 4.40 0.00 2.02 1.96 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.