NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3313 8.2649 123.5831 51.1586 21.1405 176.9443 3 C 4.5358 7.3636 116.5558 54.8642 30.0480 172.1806 4 P 4.2238 0.0000 0.0000 65.5820 32.0666 177.1466 5 L 3.9525 7.9252 118.1236 58.4396 42.0145 178.7900 6 E 4.0227 8.1188 117.8926 59.1492 29.3578 179.0671 7 K 4.0241 8.4510 120.0712 59.2185 32.2403 178.8361 8 A 4.0090 8.4909 121.7255 55.0838 18.2621 179.6336 9 L 4.0508 8.1478 117.5453 57.6220 41.5194 179.3542 10 D 4.3071 7.9024 117.8570 57.4130 41.2610 178.2654 11 V 3.6692 8.0877 119.0462 66.4652 31.6063 177.8471 12 M 4.2344 8.2604 118.3199 58.3785 31.3501 178.9661 13 V 4.2164 7.8934 117.9290 66.2399 31.7740 178.3730 14 S 4.3473 8.6013 115.3211 61.9681 62.6335 176.7829 15 T 4.0305 8.3811 118.5862 66.4519 68.1648 176.2740 16 F 3.9525 7.9985 121.4929 61.8543 39.2304 177.0953 17 H 4.6258 8.0659 115.6895 57.9991 28.2312 177.4906 18 K 3.7020 8.2351 121.3055 59.2818 32.0143 177.3718 19 Y 4.3373 7.5415 114.4251 58.7919 39.0572 178.1541 20 S 3.8802 7.8239 115.0426 60.7891 63.2946 175.8733 21 G 3.7761 7.4755 107.5123 45.8338 0.0000 174.8166 22 K 4.0546 7.7126 120.2396 58.8592 32.1772 177.0856 23 E 4.7056 8.1871 115.7334 55.0414 34.2942 177.9053 24 G 3.5545 8.4630 108.8265 46.2139 0.0000 174.9104 25 D 4.2991 8.5566 123.7741 54.2996 41.3811 177.4391 26 K 3.9870 8.3670 126.0779 58.6292 32.2572 177.7368 27 F 5.2773 8.3718 116.2943 57.0083 39.0897 175.2096 28 K 5.1603 7.6140 117.7165 54.9230 36.4920 175.5957 29 L 4.7359 8.9120 123.0351 53.6351 43.4175 176.6142 30 N 4.9391 9.7218 122.4765 51.3889 39.7462 176.1489 31 K 3.7983 8.7794 117.7121 59.8734 31.8872 179.4320 32 S 4.0807 8.0474 112.5419 61.5447 62.5479 175.9524 33 E 4.0744 9.1939 121.5440 59.1486 29.0310 179.1542 34 L 3.9351 8.1713 120.9126 57.7566 42.1403 178.8268 35 K 3.9070 8.1399 119.7161 59.3957 32.0724 178.6381 36 E 3.9443 8.1618 118.8828 59.3043 29.4029 179.1238 37 L 2.8529 7.4688 120.1445 57.6969 42.1077 178.9080 38 L 4.0433 7.9613 119.0069 58.1913 41.3838 179.7396 39 T 3.8908 7.7403 114.1255 66.7779 68.5371 176.6364 40 R 4.2539 8.2219 118.4149 57.7588 30.4140 177.7401 41 E 4.6934 8.5183 116.6321 55.8512 32.1126 175.8943 42 L 4.9724 8.1017 119.3470 53.1952 42.3464 176.5279 43 P 4.3461 0.0000 0.0000 65.6109 31.6869 178.6896 44 S 4.2884 8.0380 114.3961 61.0647 63.2890 175.3942 45 F 4.3629 8.4793 122.3280 60.9351 39.5319 174.9355 46 L 4.2750 6.9504 116.6263 53.9823 43.6515 175.6822 *50 T 4.3707 8.4149 114.3088 64.4376 69.9871 174.9777 51 D 4.4768 7.6970 119.3809 53.8884 43.2290 176.4165 52 E 3.9218 8.7267 125.5304 59.2444 29.6845 179.0688 53 A 3.9337 8.8265 120.8812 55.3164 18.4993 179.4510 54 A 3.9051 8.1840 118.6425 55.2181 18.3333 179.5081 *55 F 3.9366 7.6928 118.5733 61.3730 39.0670 177.1699 56 Q 3.9782 8.1344 119.3128 59.0655 28.8684 178.0996 57 K 3.9671 8.3887 121.0544 59.1645 32.1100 178.6968 58 L 3.9196 7.6637 120.4056 58.4281 42.2648 178.5015 59 M 3.9250 8.5109 118.4590 58.5558 31.7887 178.2285 60 S 4.0461 8.1249 112.9895 61.5062 62.7486 175.3907 61 N 4.4548 7.9538 117.6987 56.5256 38.3543 177.0686 62 L 4.2356 7.8761 119.3334 56.5546 43.3902 177.9991 63 D 4.8036 7.7353 119.6493 53.3074 38.4492 176.4777 64 S 4.2576 8.8422 118.0200 59.8398 63.9561 175.8509 65 N 4.6611 8.4751 116.3684 51.8358 37.5299 174.6961 66 R 3.9381 7.4613 116.3556 57.8581 28.1987 176.0073 67 D 4.7339 8.2377 111.8641 53.0907 39.8412 176.5051 68 N 4.2166 8.7275 115.5180 54.8864 38.2500 172.8544 69 E 4.9208 8.2058 113.9042 55.2587 34.4709 175.1124 70 V 4.5560 8.8038 121.8222 61.5371 33.1773 175.1759 71 D 5.2978 9.4039 129.4407 52.3214 41.5013 177.3070 72 F 2.9115 8.8236 119.3412 61.0168 39.1453 176.5480 73 Q 3.8809 8.0442 118.6340 59.3814 29.1476 178.0529 74 E 4.0478 9.1098 119.6531 59.0869 29.2717 178.8604 75 Y 4.1258 7.9309 120.0138 61.0193 38.9151 177.2259 76 C 3.4692 7.8976 118.0178 62.9712 28.1190 176.7386 77 V 3.4644 7.6208 119.2727 65.8363 31.1767 177.6194 78 F 4.2441 7.9346 120.0855 61.5452 39.0837 177.1401 79 L 3.2910 7.6615 118.5286 57.5952 41.3320 179.5490 80 S 3.9736 8.1747 115.5008 61.7282 62.7633 176.3372 81 C 4.0425 8.2210 121.5332 62.4635 31.2780 175.6780 82 I 3.5173 7.3596 121.0390 64.2109 36.6526 177.9423 83 A 3.9369 7.9808 121.8533 55.6288 17.9217 179.2238 84 M 3.9363 8.1915 115.7963 59.0799 32.5066 178.5613 85 M 4.2441 7.9349 118.1837 58.8903 32.2623 178.3843 86 C 4.0838 8.2039 116.5497 63.2727 28.3163 175.9734 87 N 4.5910 8.8213 118.6264 56.7777 38.2021 176.6450 88 E 4.0997 8.2515 119.9099 59.2677 29.2776 178.9618 89 F 3.9929 8.1638 119.9900 61.4440 39.6708 176.9653 90 F 4.1773 8.3927 116.8890 60.1298 38.5543 176.3254 91 E 4.4596 8.6184 116.9468 57.2387 30.6924 178.0436 92 G 3.1730 8.6912 104.3188 47.2342 0.0000 175.5535 93 F 4.4462 7.4965 124.4081 58.1207 39.7168 176.2207 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 A 8.26 4.33 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 3 C 7.36 4.54 0.00 3.02 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 4 P 0.00 4.22 0.00 2.15 2.13 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 5 L 7.93 3.95 0.00 1.74 1.66 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.12 4.02 0.00 2.06 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 2.40 2.37 0.00 7 K 8.45 4.02 0.00 1.89 1.94 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 8 A 8.49 4.01 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 9 L 8.15 4.05 0.00 1.87 1.78 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.90 4.31 0.00 2.93 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 11 V 8.09 3.67 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 1.05 0.00 0.00 0.98 0.00 0.00 12 M 8.26 4.23 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 13 V 7.89 4.22 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 1.18 0.00 0.00 14 S 8.60 4.35 0.00 4.03 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 15 T 8.38 4.03 4.53 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 1.46 0.00 0.00 16 F 8.00 3.95 0.00 2.39 3.24 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 17 H 8.07 4.63 0.00 3.36 3.39 0.00 5.70 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 18 K 8.24 3.70 0.00 1.77 2.03 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.68 1.25 7.81 19 Y 7.54 4.34 0.00 2.93 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 20 S 7.82 3.88 0.00 3.92 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 21 G 7.48 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 0.00 0.00 0.00 22 K 7.71 4.05 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.30 7.81 23 E 8.19 4.71 0.00 1.84 1.76 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 2.21 2.20 0.00 24 G 8.46 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.30 0.00 2.69 2.58 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 0.00 26 K 8.37 3.99 0.00 0.79 1.32 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.11 7.81 27 F 8.37 5.28 0.00 3.15 3.16 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 28 K 7.61 5.16 0.00 1.81 1.75 0.00 2.09 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.60 7.81 29 L 8.91 4.74 0.00 1.63 1.56 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.72 4.94 0.00 2.79 2.95 0.00 0.00 6.55 8.14 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 31 K 8.78 3.80 0.00 1.81 1.92 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.51 7.81 32 S 8.05 4.08 0.00 3.89 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 33 E 9.19 4.07 0.00 1.98 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 2.33 2.50 0.00 34 L 8.17 3.94 0.00 1.72 1.79 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.14 3.91 0.00 2.04 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 36 E 8.16 3.94 0.00 2.29 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 0.00 2.43 2.37 0.00 37 L 7.47 2.85 0.00 1.04 1.54 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.96 4.04 0.00 1.75 1.83 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.74 3.89 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 1.23 0.00 0.00 40 R 8.22 4.25 0.00 1.84 2.08 0.00 3.26 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 41 E 8.52 4.69 0.00 2.00 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 2.21 2.50 0.00 42 L 8.10 4.97 0.00 1.88 1.70 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.35 0.00 2.24 2.48 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 44 S 8.04 4.29 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.36 0.00 2.96 3.33 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 46 L 6.95 4.28 0.00 1.85 1.64 0.96 0.59 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 *50 T 8.41 4.37 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 51 D 7.70 4.48 0.00 2.70 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 52 E 8.73 3.92 0.00 2.11 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 2.37 2.43 0.00 53 A 8.83 3.93 1.30 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 0.00 0.00 54 A 8.18 3.91 1.30 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 0.00 0.00 *55 F 7.69 3.94 0.00 2.55 2.30 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 56 Q 8.13 3.98 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 57 K 8.39 3.97 0.00 1.84 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 58 L 7.66 3.92 0.00 1.92 1.82 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.51 3.93 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 60 S 8.12 4.05 0.00 3.94 4.05 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 61 N 7.95 4.45 0.00 2.90 2.90 0.00 0.00 7.17 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 62 L 7.88 4.24 0.00 1.53 1.65 0.36 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.74 4.80 0.00 2.81 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 64 S 8.84 4.26 0.00 4.05 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 65 N 8.48 4.66 0.00 2.86 2.97 0.00 0.00 6.16 7.66 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 66 R 7.46 3.94 0.00 1.99 2.03 0.00 3.31 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 67 D 8.24 4.73 0.00 2.79 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 68 N 8.73 4.22 0.00 2.85 2.95 0.00 0.00 6.80 8.49 0.00 0.00 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 E 8.21 4.92 0.00 1.91 1.93 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 2.25 2.26 0.00 70 V 8.80 4.56 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 1.22 0.00 0.00 0.93 0.00 0.00 71 D 9.40 5.30 0.00 2.95 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 72 F 8.82 2.91 0.00 2.69 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 73 Q 8.04 3.88 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 74 E 9.11 4.05 0.00 2.18 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 2.35 2.55 0.00 75 Y 7.93 4.13 0.00 2.97 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 76 C 7.90 3.47 0.00 2.91 2.83 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 0.00 0.00 0.00 77 V 7.62 3.46 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 1.08 0.00 0.00 0.96 0.00 0.00 78 F 7.93 4.24 0.00 3.04 3.15 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 79 L 7.66 3.29 0.00 1.36 1.31 0.35 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.17 3.97 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.22 4.04 0.00 3.02 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 82 I 7.36 3.52 1.61 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.12 0.75 0.00 0.00 83 A 7.98 3.94 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 84 M 8.19 3.94 0.00 1.93 2.38 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 85 M 7.93 4.24 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.94 0.00 86 C 8.20 4.08 0.00 3.23 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 87 N 8.82 4.59 0.00 2.94 3.08 0.00 0.00 7.25 7.57 0.00 0.00 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 E 8.25 4.10 0.00 2.43 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 0.00 2.65 2.57 0.00 89 F 8.16 3.99 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 90 F 8.39 4.18 0.00 3.27 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 91 E 8.62 4.46 0.00 2.25 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 2.36 2.35 0.00 92 G 8.69 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 0.00 0.00 0.00 93 F 7.50 4.45 0.00 3.14 2.86 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 * Residues marked with a * may have inaccurate shift predictions.