NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1420 8.1127 120.8607 56.7369 30.0613 176.1130 3 V 3.2061 8.2902 123.1494 61.7165 31.4168 172.5472 4 K 4.1205 8.0487 118.7557 59.0295 33.5038 176.4572 5 M 4.3577 7.2363 117.7782 54.4524 32.7645 174.1453 6 H 4.5440 8.6438 112.8216 55.9213 30.4136 174.5371 7 V 3.3347 7.5204 110.8154 63.8687 31.9001 177.4161 8 K 4.9295 7.0559 120.1902 55.1911 36.3459 175.9121 9 K 4.1140 7.9673 122.2143 57.0903 35.3913 178.1970 10 G 4.0671 8.7992 106.8268 46.1062 0.0000 172.6765 11 D 5.0603 7.2073 129.1730 52.5998 38.2653 179.5593 12 T 4.6156 8.3846 118.7463 62.6769 72.0231 171.8823 13 V 4.8534 8.8112 120.0054 59.2632 35.8485 175.2530 14 L 4.7912 8.9178 124.9654 54.5856 43.9923 175.4241 15 V 4.9047 7.9787 120.1659 60.9262 34.7978 175.4862 16 A 5.1392 8.5818 124.4564 50.8343 20.0682 178.6114 17 S 4.6947 8.7297 120.3748 59.5782 63.1026 175.4387 18 G 3.9906 9.0067 106.6518 45.8399 0.0000 174.2678 19 K 3.8440 9.1499 119.4538 59.1557 33.0757 177.6489 20 Y 4.3076 7.8920 114.2279 57.2522 38.0926 174.6261 21 K 3.7927 7.7559 122.0767 58.2096 32.0459 176.2195 22 G 3.8239 8.3665 116.0323 46.7938 0.0000 172.4912 23 R 4.6544 7.5722 118.3222 54.0226 32.3366 176.5967 24 V 4.1672 8.4853 123.7837 63.1671 32.5328 175.0782 25 G 4.1631 9.1041 112.6013 45.4038 0.0000 173.7701 26 K 4.6715 8.4600 121.6436 55.6342 34.1966 176.0838 27 V 3.5462 7.7784 116.8375 62.3221 31.6441 177.2217 28 K 4.5388 8.4957 121.2263 55.7148 33.7479 175.7484 29 E 3.4974 7.5903 117.8746 63.3945 26.9249 176.1139 30 V 2.9923 7.0312 111.9474 61.5371 30.1081 173.8236 31 L 3.9010 7.8013 129.0684 55.5599 41.8948 175.4679 32 P 4.8073 0.0000 0.0000 62.5990 32.3118 176.8592 33 K 4.1640 8.1696 117.3249 58.4883 31.8518 177.1285 34 K 4.4803 7.4253 115.6563 54.7602 34.6127 174.9043 35 Y 3.1747 8.1270 119.5582 58.8150 37.5872 168.3406 36 A 5.3609 7.4833 120.1512 50.6878 24.3814 179.3895 37 V 4.1595 9.8411 113.5967 60.8273 31.6497 178.2841 38 I 4.7453 9.4455 135.0000 62.5334 38.4717 176.0299 39 V 3.6237 7.6347 118.7970 62.8872 30.9482 173.9929 40 E 4.7281 9.0854 109.3592 56.9227 32.5246 175.3064 41 G 3.6211 7.3900 116.6750 45.6778 0.0000 177.9254 42 V 2.9242 6.2172 129.3044 62.2240 30.1456 175.1331 43 N 4.3977 8.1047 124.5678 53.7248 40.6762 174.6312 44 I 3.5600 6.4058 117.8685 58.2797 38.6368 174.3985 45 V 4.4988 8.1864 122.7514 60.8509 33.8205 173.2580 46 K 4.4159 7.3401 119.0825 55.8269 35.2331 175.6063 47 K 3.5888 7.9620 116.5111 56.0616 34.6419 174.8267 48 A 3.7660 6.4010 123.8425 52.3282 16.9084 178.2644 49 V 4.2399 7.7829 120.5195 62.0708 34.2374 177.5988 50 R 3.7958 7.8113 117.0480 56.4341 27.6333 176.1488 51 V 3.8014 8.3462 118.1828 65.9104 32.2746 177.4512 52 S 4.4834 7.4363 113.3868 56.8695 65.1715 173.9980 53 P 4.5903 0.0000 0.0000 62.2899 30.5058 176.0631 54 K 3.4617 8.1338 119.6706 57.7757 32.4723 176.4725 55 Y 3.5665 9.3396 115.3856 58.9096 37.2109 171.3280 56 P 4.3186 0.0000 0.0000 61.1946 35.2829 179.0290 57 Q 4.8254 8.3869 133.0422 55.9329 28.5494 176.1399 58 G 4.1763 8.2066 115.9777 45.7977 0.0000 173.1959 59 G 4.0393 8.1532 104.3561 45.4960 0.0000 173.8863 60 F 5.4266 8.5361 117.1311 54.3144 38.7767 175.7863 61 I 4.6765 7.9573 116.4672 62.6786 42.7382 176.5591 62 E 3.9735 6.6580 113.6845 54.4787 32.0596 178.4119 63 K 4.8565 8.2503 128.3494 56.3610 35.9879 174.5102 64 E 4.6749 8.7095 117.6138 54.5880 31.0037 175.8086 65 A 4.3898 8.6970 124.9831 51.6879 20.1127 178.5887 66 P 3.4302 0.0000 0.0000 63.7913 32.9742 171.4502 67 L 3.6482 7.8422 128.5645 54.1671 43.6431 173.4335 68 H 4.6876 8.7383 125.6572 56.0031 30.0147 175.5925 69 A 3.6966 8.9492 130.7191 55.2195 18.2297 179.1800 70 S 4.1162 8.2479 108.7027 60.4475 62.9485 174.8673 71 K 4.2460 8.8455 119.5341 57.8907 32.3037 176.9579 72 V 4.7641 6.9598 111.7026 60.5091 33.6570 175.8098 73 R 4.7721 8.5850 120.2197 54.3768 34.7150 173.8277 74 P 4.8822 0.0000 0.0000 62.7885 33.0262 174.5283 75 I 4.4558 7.3274 117.4736 60.7520 41.1331 172.9678 76 C 4.4864 8.9870 123.1012 59.6155 34.0922 173.9260 77 P 3.9114 0.0000 0.0000 61.4159 27.2690 175.7677 78 A 4.3688 6.6217 124.4744 51.9486 22.4211 174.9577 79 C 4.7158 8.0838 115.9538 58.9075 36.2575 178.1232 80 G 3.5587 8.8607 109.4220 44.7386 0.0000 174.0254 81 K 3.8404 8.9228 135.0000 54.7264 30.3863 173.6500 82 P 4.4056 0.0000 0.0000 62.9392 31.9185 176.6099 83 T 4.3091 8.2435 117.5457 63.5963 69.9081 175.2133 84 R 4.8441 8.1083 124.7757 56.1247 34.0027 175.2111 85 V 4.2231 7.8457 119.7313 63.4116 34.1294 172.3184 86 R 4.7955 8.4313 127.0425 54.8751 34.2022 175.5506 87 K 4.1029 8.7473 118.1740 57.9692 33.6215 178.8481 88 K 4.0718 8.4148 115.3534 55.6664 29.9591 176.4681 89 F 3.9594 8.6465 115.9317 56.9284 35.6722 174.9123 90 L 5.0732 7.0785 131.4045 56.0932 41.2119 173.4477 91 E 4.7603 7.8200 119.9820 55.5795 31.2019 175.2354 92 N 4.8625 7.4936 122.4663 54.8369 41.9085 175.3439 93 G 4.3310 8.5293 113.0741 44.0250 0.0000 171.3367 94 K 4.7864 8.6123 121.3597 55.7738 33.0690 176.2205 95 K 4.8294 8.2470 121.0871 54.3442 36.9230 175.5200 96 I 4.4557 8.3022 122.3940 60.7090 38.3670 176.3397 97 R 3.7786 8.6378 120.3778 56.9564 29.3030 177.5005 98 V 2.9327 8.5037 116.0475 67.4203 28.8402 170.5595 99 C 4.3461 8.9978 131.4976 58.4323 32.0456 173.0294 100 A 4.1028 7.3871 121.9901 51.7772 18.6314 175.9333 101 K 4.2293 8.6460 122.3688 55.7569 33.7793 175.4913 *102 C 4.3630 8.2474 122.7667 58.1098 28.5244 171.3392 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 R 8.11 4.14 0.00 1.83 1.93 0.00 3.46 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.29 3.21 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 0.90 0.00 0.00 0.94 0.00 0.00 4 K 8.05 4.12 0.00 1.89 1.93 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.36 7.81 5 M 7.24 4.36 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 6 H 8.64 4.54 0.00 3.21 3.48 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.52 3.33 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 0.91 0.00 0.00 8 K 7.06 4.93 0.00 1.57 2.05 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.38 7.81 9 K 7.97 4.11 0.00 1.82 1.61 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 10 G 8.80 4.07 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 0.00 0.00 0.00 11 D 7.21 5.06 0.00 2.74 2.07 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 12 T 8.38 4.62 4.23 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 1.21 0.00 0.00 13 V 8.81 4.85 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 0.64 0.00 0.00 0.92 0.00 0.00 14 L 8.92 4.79 0.00 1.73 1.53 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.98 4.90 2.43 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 1.03 0.00 0.00 1.00 0.00 0.00 16 A 8.58 5.14 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 17 S 8.73 4.69 0.00 4.05 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 18 G 9.01 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 0.00 0.00 0.00 19 K 9.15 3.84 0.00 2.02 1.67 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.53 7.81 20 Y 7.89 4.31 0.00 3.13 3.03 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 0.00 0.00 0.00 21 K 7.76 3.79 0.00 1.82 1.80 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 G 8.37 3.82 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 0.00 0.00 0.00 23 R 7.57 4.65 0.00 1.85 1.91 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 24 V 8.49 4.17 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 0.82 0.00 0.00 0.94 0.00 0.00 25 G 9.10 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 26 K 8.46 4.67 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 V 7.78 3.55 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 0.97 0.00 0.00 0.98 0.00 0.00 28 K 8.50 4.54 0.00 1.88 1.94 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.37 7.81 29 E 7.59 3.50 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 2.20 2.31 0.00 30 V 7.03 2.99 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 0.75 0.00 0.00 0.90 0.00 0.00 31 L 7.80 3.90 0.00 1.89 1.53 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.81 0.00 1.98 2.06 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 33 K 8.17 4.16 0.00 1.77 1.92 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.47 7.81 34 K 7.43 4.48 0.00 1.70 1.82 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.39 7.81 35 Y 8.13 3.17 0.00 3.18 2.90 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 0.00 0.00 0.00 36 A 7.48 5.36 1.27 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 0.00 0.00 37 V 9.84 4.16 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 0.59 0.00 0.00 1.00 0.00 0.00 38 I 9.45 4.75 2.15 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 1.26 1.09 0.86 0.00 0.00 39 V 7.63 3.62 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 1.10 0.00 0.00 0.90 0.00 0.00 40 E 9.09 4.73 0.00 1.97 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 2.22 2.24 0.00 41 G 7.39 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 0.00 0.00 0.00 42 V 6.22 2.92 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 0.78 0.00 0.00 43 N 8.10 4.40 0.00 2.90 2.83 0.00 0.00 7.09 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 44 I 6.41 3.56 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 0.95 0.00 0.00 45 V 8.19 4.50 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 0.95 0.00 0.00 0.99 0.00 0.00 46 K 7.34 4.42 0.00 1.82 1.66 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.24 7.81 47 K 7.96 3.59 0.00 1.78 1.91 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.10 1.25 7.81 48 A 6.40 3.77 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 49 V 7.78 4.24 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 0.85 0.00 0.00 0.98 0.00 0.00 50 R 7.81 3.80 0.00 1.93 1.87 0.00 3.21 0.00 0.00 3.12 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 51 V 8.35 3.80 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 0.79 0.00 0.00 0.91 0.00 0.00 52 S 7.44 4.48 0.00 3.93 3.86 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 0.00 0.00 0.00 0.00 53 P 0.00 4.59 0.00 2.01 2.06 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 54 K 8.13 3.46 0.00 1.49 1.29 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.42 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.44 7.81 55 Y 9.34 3.57 0.00 3.18 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 56 P 0.00 4.32 0.00 2.16 1.47 0.00 3.79 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 2.05 2.18 0.00 57 Q 8.39 4.83 0.00 2.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 58 G 8.21 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 0.00 0.00 0.00 0.00 59 G 8.15 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 60 F 8.54 5.43 0.00 3.01 2.91 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 61 I 7.96 4.68 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.33 0.94 0.00 0.00 62 E 6.66 3.97 0.00 2.07 1.25 0.00 0.00 0.00 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 2.34 0.00 63 K 8.25 4.86 0.00 1.66 1.67 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.44 7.81 64 E 8.71 4.67 0.00 1.88 1.80 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 2.22 2.37 0.00 65 A 8.70 4.39 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 3.43 0.00 2.11 2.29 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 67 L 7.84 3.65 0.00 1.96 1.64 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.74 4.69 0.00 3.25 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.95 3.70 0.70 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 70 S 8.25 4.12 0.00 4.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.25 0.00 2.07 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 72 V 6.96 4.76 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 0.64 0.00 0.00 0.93 0.00 0.00 73 R 8.58 4.77 0.00 1.73 1.76 0.00 3.14 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 74 P 0.00 4.88 0.00 2.06 2.05 0.00 3.80 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 2.10 1.95 0.00 75 I 7.33 4.46 1.95 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 1.10 0.47 0.96 0.00 0.00 76 C 8.99 4.49 0.00 2.90 2.71 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 77 P 0.00 3.91 0.00 2.14 2.28 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 78 A 6.62 4.37 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 79 C 8.08 4.72 0.00 2.88 2.77 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 80 G 8.86 3.56 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 0.00 0.00 0.00 81 K 8.92 3.84 0.00 2.13 1.96 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.50 7.81 82 P 0.00 4.41 0.00 2.09 1.99 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 83 T 8.24 4.31 4.25 0.00 0.00 0.00 0.00 0.00 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 84 R 8.11 4.84 0.00 1.84 1.70 0.00 3.17 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 85 V 7.85 4.22 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 0.66 0.00 0.00 0.94 0.00 0.00 86 R 8.43 4.80 0.00 1.91 1.74 0.00 3.14 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 K 8.75 4.10 0.00 2.02 2.07 0.00 1.85 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.67 7.81 88 K 8.41 4.07 0.00 1.99 2.11 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.53 7.81 89 F 8.65 3.96 0.00 3.08 3.30 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 90 L 7.08 5.07 0.00 1.77 1.80 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.82 4.76 0.00 2.00 1.82 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 2.24 2.36 0.00 92 N 7.49 4.86 0.00 2.73 2.68 0.00 0.00 6.85 7.86 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 93 G 8.53 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 94 K 8.61 4.79 0.00 1.65 1.76 0.00 1.74 0.00 0.00 2.36 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.31 7.81 95 K 8.25 4.83 0.00 1.66 1.66 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 96 I 8.30 4.46 1.91 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 1.40 1.10 0.91 0.00 0.00 97 R 8.64 3.78 0.00 1.90 1.97 0.00 3.17 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 98 V 8.50 2.93 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 0.75 0.00 0.00 0.93 0.00 0.00 99 C 9.00 4.35 0.00 3.06 3.26 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 0.00 100 A 7.39 4.10 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 0.00 101 K 8.65 4.23 0.00 1.82 1.88 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.16 7.81 *102 C 8.25 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.