NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1158 8.1127 120.8605 56.8740 29.9348 175.4950 3 V 3.3052 8.2232 120.9585 60.8564 30.5088 170.9306 4 K 4.2328 8.5030 118.6337 58.0931 34.1135 176.4874 5 M 3.9846 7.5775 119.2305 56.3452 32.4690 175.1918 6 H 4.7082 9.0775 114.2093 55.6889 32.1299 176.0364 7 V 2.4905 8.1772 107.4403 61.2904 32.4261 178.4723 8 K 4.3051 8.7435 127.4895 57.2777 34.2158 174.6735 9 K 4.2658 7.2133 114.8686 57.4016 35.7109 175.6614 10 G 4.0864 8.5758 104.4286 45.7575 0.0000 172.0513 11 D 4.4039 7.3754 128.1085 53.1037 41.0454 175.8161 12 T 4.6292 8.7924 115.9296 61.7562 70.4914 173.5998 13 V 4.6220 8.2386 117.9030 59.7684 36.8610 173.6968 14 L 4.8573 8.6690 122.0526 53.6091 45.4229 175.3484 15 V 4.7467 7.9850 121.6525 61.6693 33.9463 175.7560 16 A 4.3355 8.6824 121.2690 53.7321 22.5248 177.6992 17 S 3.9027 8.7562 108.9500 60.3212 61.9456 174.3594 18 G 3.9327 7.7890 112.7874 45.7333 0.0000 174.3770 19 K 3.9588 8.2588 123.9774 57.4108 32.8731 177.2472 20 Y 4.5693 7.6430 114.0891 58.0349 39.9135 174.6048 21 K 3.9024 8.2034 122.0709 58.1978 32.4770 177.1637 22 G 4.0551 8.9399 113.9548 45.7243 0.0000 173.6597 23 R 4.3555 7.6220 118.6070 56.3138 31.5772 175.6855 24 V 4.6679 7.8977 118.7781 61.9496 34.9938 173.6822 25 G 4.0327 8.2542 111.4282 45.0722 0.0000 174.0840 26 K 4.7032 8.3036 126.0482 55.1610 31.6179 176.6485 27 V 3.8182 8.6201 115.4789 62.5052 31.5768 176.3145 28 K 4.4188 8.4518 122.6945 56.6232 33.2810 176.1440 29 E 3.8376 7.9152 114.3624 57.4718 25.9870 175.0837 30 V 3.6764 7.4154 122.5432 62.9073 32.0186 174.4709 31 L 4.2209 7.2330 123.7015 54.2048 42.0611 175.4250 32 P 4.9569 0.0000 0.0000 62.4724 32.5335 177.7914 33 K 3.8067 8.4488 120.1693 60.3958 31.8703 177.9025 34 K 4.1833 8.0057 115.4651 55.7497 32.9171 174.9021 35 Y 3.5637 8.0414 118.0457 59.8709 37.3763 167.8063 36 A 5.1850 7.4034 121.7721 50.8341 23.4194 174.9070 37 V 4.3028 7.6636 112.1069 60.8943 34.2770 174.0915 38 I 4.6467 7.6087 123.1264 58.9014 44.9359 178.6412 39 V 3.6180 8.7735 126.3878 64.3782 30.3477 172.0711 40 E 4.8105 8.9446 114.2192 56.5359 35.8810 176.9527 41 G 3.6575 7.9485 108.7468 44.9089 0.0000 177.4942 42 V 3.2825 7.4572 122.4705 62.5909 31.6214 175.2171 43 N 5.3569 8.6474 118.3190 53.4327 42.1762 175.3955 44 I 3.2058 6.8571 117.5935 58.6424 37.5871 174.7382 45 V 4.1875 8.1536 122.7016 62.8557 33.3836 176.1049 46 K 4.5179 8.5661 122.8764 55.8186 31.2882 176.8782 47 K 3.4280 8.5073 126.9255 57.0418 33.5589 173.0109 48 A 3.7365 7.1682 124.3692 53.0793 17.5185 178.2863 49 V 3.8759 8.0458 119.3125 63.2126 32.2169 175.1466 50 R 4.2065 7.5543 119.3909 56.7504 29.2744 177.3799 51 V 3.4182 7.8077 121.2231 65.2225 31.7722 175.8072 52 S 5.0146 8.1467 112.6722 57.7443 64.8646 174.6381 53 P 4.0478 0.0000 0.0000 63.1532 30.0500 177.0549 54 K 3.7536 8.7773 120.6332 56.4728 32.2181 172.5399 55 Y 3.3004 8.3683 130.9874 57.7036 38.8600 168.2806 56 P 3.6023 0.0000 0.0000 62.9625 32.3173 174.5723 57 Q 4.4161 8.3982 118.2497 56.2890 28.4050 176.0384 58 G 4.3790 8.4487 104.3489 45.0977 0.0000 174.0919 59 G 4.1579 8.5378 103.5713 45.5472 0.0000 172.7754 60 F 4.9596 8.5233 114.9771 57.2106 40.0855 176.7966 61 I 3.8783 8.0336 123.6138 62.2369 37.5075 177.2135 62 E 3.7174 8.0752 118.3377 56.5547 28.3238 171.7822 63 K 4.5438 7.8501 116.7003 56.1785 36.0767 174.8314 64 E 4.4471 8.6668 118.5617 57.0416 29.6530 176.9685 65 A 4.3634 9.2628 127.2125 51.0528 18.7929 178.3978 66 P 4.3569 0.0000 0.0000 65.9882 32.9092 173.1056 67 L 3.4418 7.5396 121.3235 55.2126 42.3468 173.2993 68 H 3.7738 8.3934 119.5388 56.1472 30.6832 174.4793 69 A 4.2216 8.0058 127.0768 52.1437 18.5183 177.9006 70 S 4.6984 8.0323 110.5255 58.7594 63.9861 175.1040 71 K 4.1747 7.7133 118.5105 58.5667 32.1895 176.8431 72 V 4.8037 7.4387 111.1913 59.8513 33.9743 175.2291 73 R 4.8779 8.9615 121.1384 53.5630 34.2566 173.3996 74 P 4.7846 0.0000 0.0000 62.8103 33.4475 174.9689 75 I 4.2212 7.7279 115.2831 60.6362 40.6124 172.6216 76 C 4.3833 9.0805 124.3982 60.0993 34.5388 172.9487 77 P 4.0175 0.0000 0.0000 62.2826 28.9077 172.8015 78 A 4.9272 7.2502 133.3902 50.8621 17.2259 180.4906 79 C 4.9587 8.9407 112.8384 60.6109 32.0259 174.4073 80 G 3.6796 8.9482 111.0429 45.5444 0.0000 171.6758 81 K 3.9694 8.8918 130.6945 54.6680 32.0748 174.7309 82 P 4.5499 0.0000 0.0000 62.9155 31.5495 174.7830 83 T 4.8367 8.0585 107.4983 61.1840 72.5192 172.6334 84 R 4.7660 8.6139 119.4639 54.9365 35.0649 174.0143 85 V 4.8628 8.3072 117.9661 61.6351 34.4205 174.8949 86 R 4.7980 8.9007 127.1058 54.4707 33.5304 176.7809 87 K 3.9278 8.7338 121.7496 59.7733 31.7516 179.5356 88 K 4.0594 8.3729 117.2472 54.9840 30.1233 176.5719 89 F 3.8857 8.2353 118.8995 58.0545 37.4171 174.7078 90 L 5.2697 7.0082 124.0781 55.5957 42.9493 173.8646 91 E 4.3922 7.9495 120.5115 56.0854 34.2532 173.9301 92 N 5.1091 8.0526 122.2050 54.5924 42.0070 174.4612 93 G 4.3522 8.5206 110.6732 45.1797 0.0000 171.6208 94 K 5.6434 8.4437 120.4111 54.7832 35.0671 175.3870 95 K 4.6316 8.3444 121.9873 54.3128 35.2322 177.5439 96 I 4.3616 8.4319 125.0991 61.3255 36.7530 177.7413 97 R 4.1448 8.3689 122.0498 56.4578 29.1290 175.8220 98 V 3.3533 8.6237 125.4268 62.2930 30.1200 169.8650 99 C 4.4406 6.2612 129.3620 58.8936 35.5943 177.5711 100 A 4.0661 9.3043 134.8179 53.3536 20.4183 176.2284 101 K 3.3354 7.7571 121.6385 57.8213 32.7686 175.2823 *102 C 4.3630 8.3660 114.5105 57.9852 28.5244 170.5214 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 4.12 0.00 1.82 1.91 0.00 3.40 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 3 V 8.22 3.31 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 0.78 0.00 0.00 0.92 0.00 0.00 4 K 8.50 4.23 0.00 1.85 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.55 1.40 7.81 5 M 7.58 3.98 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 6 H 9.08 4.71 0.00 3.38 3.46 0.00 5.55 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.18 2.49 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 0.73 0.00 0.00 0.90 0.00 0.00 8 K 8.74 4.31 0.00 1.62 1.73 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 9 K 7.21 4.27 0.00 1.76 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.37 7.81 10 G 8.58 4.09 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 0.00 0.00 0.00 11 D 7.38 4.40 0.00 2.84 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 12 T 8.79 4.63 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 8.24 4.62 2.27 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 0.77 0.00 0.00 0.91 0.00 0.00 14 L 8.67 4.86 0.00 1.74 1.46 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.99 4.75 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.68 4.34 1.28 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 0.00 0.00 17 S 8.76 3.90 0.00 4.05 3.85 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 0.00 0.00 0.00 18 G 7.79 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 19 K 8.26 3.96 0.00 1.67 1.88 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.39 1.15 7.81 20 Y 7.64 4.57 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 21 K 8.20 3.90 0.00 1.73 1.78 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 22 G 8.94 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 23 R 7.62 4.36 0.00 2.07 1.95 0.00 3.19 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 24 V 7.90 4.67 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 0.81 0.00 0.00 0.94 0.00 0.00 25 G 8.25 4.03 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 0.00 0.00 0.00 26 K 8.30 4.70 0.00 1.79 1.52 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.42 7.81 27 V 8.62 3.82 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 1.15 0.00 0.00 0.97 0.00 0.00 28 K 8.45 4.42 0.00 1.86 1.95 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.29 7.81 29 E 7.92 3.84 0.00 2.01 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 2.24 2.33 0.00 30 V 7.42 3.68 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 0.89 0.00 0.00 0.87 0.00 0.00 31 L 7.23 4.22 0.00 1.76 1.58 0.91 0.92 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 32 P 0.00 4.96 0.00 2.15 2.23 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 33 K 8.45 3.81 0.00 1.77 1.94 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.46 7.81 34 K 8.01 4.18 0.00 1.72 1.81 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 35 Y 8.04 3.56 0.00 3.13 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 7.40 5.19 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 37 V 7.66 4.30 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 0.60 0.00 0.00 0.87 0.00 0.00 38 I 7.61 4.65 1.85 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 1.22 0.67 0.87 0.00 0.00 39 V 8.77 3.62 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 0.88 0.00 0.00 0.88 0.00 0.00 40 E 8.94 4.81 0.00 1.93 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 2.14 2.18 0.00 41 G 7.95 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 3.28 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 1.33 0.00 0.00 0.57 0.00 0.00 43 N 8.65 5.36 0.00 2.70 2.77 0.00 0.00 7.40 7.45 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 44 I 6.86 3.21 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.95 0.00 0.00 45 V 8.15 4.19 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 1.09 0.00 0.00 1.00 0.00 0.00 46 K 8.57 4.52 0.00 1.94 0.74 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.30 7.81 47 K 8.51 3.43 0.00 1.66 1.80 0.00 1.36 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.14 1.30 7.81 48 A 7.17 3.74 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 49 V 8.05 3.88 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 0.85 0.00 0.00 0.98 0.00 0.00 50 R 7.55 4.21 0.00 2.02 1.93 0.00 3.27 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 51 V 7.81 3.42 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 0.77 0.00 0.00 0.88 0.00 0.00 52 S 8.15 5.01 0.00 4.00 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 53 P 0.00 4.05 0.00 2.05 2.14 0.00 3.64 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 2.01 2.49 0.00 54 K 8.78 3.75 0.00 1.52 1.25 0.00 1.79 0.00 0.00 1.12 0.00 0.00 3.36 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.27 7.81 55 Y 8.37 3.30 0.00 3.16 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 56 P 0.00 3.60 0.00 2.27 2.34 0.00 3.87 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 2.04 2.15 0.00 57 Q 8.40 4.42 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 58 G 8.45 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 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 60 F 8.52 4.96 0.00 2.90 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 61 I 8.03 3.88 1.91 0.00 0.00 nan 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 0.78 0.94 0.00 0.00 62 E 8.08 3.72 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 2.33 2.35 0.00 63 K 7.85 4.54 0.00 1.74 1.67 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 E 8.67 4.45 0.00 1.89 1.81 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 2.26 2.32 0.00 65 A 9.26 4.36 1.17 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 0.00 0.00 66 P 0.00 4.36 0.00 2.07 2.12 0.00 3.85 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 67 L 7.54 3.44 0.00 2.05 1.88 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.39 3.77 0.00 3.22 3.25 0.00 5.66 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 8.01 4.22 0.56 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 70 S 8.03 4.70 0.00 4.09 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 71 K 7.71 4.17 0.00 2.08 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.60 7.81 72 V 7.44 4.80 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 0.68 0.00 0.00 0.86 0.00 0.00 73 R 8.96 4.88 0.00 1.66 1.77 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 74 P 0.00 4.78 0.00 2.11 2.19 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 75 I 7.73 4.22 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 0.57 0.90 0.00 0.00 76 C 9.08 4.38 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 4.02 0.00 2.16 2.40 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 1.97 2.08 0.00 78 A 7.25 4.93 1.10 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 0.00 0.00 79 C 8.94 4.96 0.00 3.07 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 80 G 8.95 3.68 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 0.00 0.00 0.00 81 K 8.89 3.97 0.00 1.93 1.87 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.45 7.81 82 P 0.00 4.55 0.00 2.04 2.05 0.00 3.62 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 2.03 2.09 0.00 83 T 8.06 4.84 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 8.61 4.77 0.00 1.91 1.85 0.00 3.07 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 85 V 8.31 4.86 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 0.83 0.00 0.00 0.94 0.00 0.00 86 R 8.90 4.80 0.00 1.90 1.73 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 87 K 8.73 3.93 0.00 2.05 2.10 0.00 1.92 0.00 0.00 2.19 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.65 7.81 88 K 8.37 4.06 0.00 2.12 2.10 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 89 F 8.24 3.89 0.00 3.05 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 90 L 7.01 5.27 0.00 1.77 1.76 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.95 4.39 0.00 1.98 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 2.26 2.38 0.00 92 N 8.05 5.11 0.00 2.68 2.64 0.00 0.00 7.10 7.98 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 93 G 8.52 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 0.00 0.00 0.00 0.00 94 K 8.44 5.64 0.00 1.86 1.98 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.30 7.81 95 K 8.34 4.63 0.00 1.69 1.71 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.43 7.81 96 I 8.43 4.36 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 0.58 0.97 0.00 0.00 97 R 8.37 4.14 0.00 1.74 1.86 0.00 3.39 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 98 V 8.62 3.35 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 0.81 0.00 0.00 0.93 0.00 0.00 99 C 6.26 4.44 0.00 2.95 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 0.00 0.00 0.00 100 A 9.30 4.07 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 0.00 101 K 7.76 3.34 0.00 1.90 1.78 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 *102 C 8.37 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.