NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 68 D 4.6307 8.3493 119.5523 52.5780 41.9741 174.5981 69 S 4.7277 7.6738 113.5503 56.4939 65.4282 172.3770 70 L 4.1085 8.9669 122.8018 55.1462 43.1175 178.4326 71 I 3.9224 8.1126 122.7014 63.1606 37.9164 175.8239 72 N 4.5474 7.3934 119.3388 52.2342 38.9417 174.2366 73 L 4.3081 8.4506 126.2020 56.4067 42.3987 177.7588 74 K 4.5331 7.8137 112.8975 55.3882 34.4489 176.0225 75 I 3.8998 8.5458 121.4961 61.7284 37.9538 176.3138 76 Q 3.5521 8.7946 126.2215 57.0693 26.0351 175.5474 77 K 4.0595 7.7552 115.6449 58.7386 32.8034 178.8087 78 E 4.0779 8.1174 115.4632 57.4455 30.0353 175.8741 79 N 4.7827 7.9766 119.5100 51.4464 39.7002 173.2017 80 P 4.2798 0.0000 0.0000 64.8805 31.7067 176.5482 81 K 4.0820 8.0249 118.5367 55.4802 33.7238 175.2487 82 V 4.0101 8.4603 127.9494 62.2395 31.3002 175.2178 83 V 4.5457 8.3961 126.9107 60.9467 33.8729 174.1633 84 N 5.0290 8.7362 123.7276 51.4288 41.0345 173.5678 85 E 4.5193 8.6019 122.0483 54.7433 31.2685 175.3790 86 I 4.2536 7.9808 123.2762 59.4707 39.5284 175.3118 87 N 4.6283 8.4934 123.3793 51.9005 38.0807 175.5751 88 I 3.6146 8.5555 127.9727 65.0637 37.3242 179.3124 89 E 4.0569 8.3590 116.4333 58.6517 29.5524 179.4152 90 D 4.9370 7.8104 113.9310 53.1389 40.6461 181.8886 91 L 4.1022 7.8795 122.6187 57.0849 41.9570 178.0010 92 S 4.4867 8.6716 119.5270 59.4651 63.2774 171.6286 93 L 4.5548 7.5554 118.8745 53.9960 42.7078 176.9560 94 T 4.1731 8.3008 111.1707 63.6260 70.1909 173.8560 95 K 5.0602 7.8588 123.0308 54.8951 35.2118 174.9886 96 A 4.6316 9.0989 128.6947 50.0292 22.4104 174.0979 97 A 4.9795 8.2292 123.9559 50.3420 21.7124 174.9728 98 Y 4.6984 8.9129 120.0422 55.7434 41.0888 174.9941 99 C 4.3772 8.6292 125.0840 59.3997 32.1554 173.4211 100 R 4.6404 8.6439 123.1225 55.9329 30.8493 175.6633 101 C 4.7211 8.0519 112.0805 56.9356 31.0787 173.9875 102 W 3.2509 8.1333 118.5699 57.9680 25.7648 174.7165 103 R 4.5822 7.9853 115.6465 55.7247 31.6880 176.3738 104 S 4.4337 8.1175 112.9048 58.3954 62.7490 174.1239 105 K 4.2766 9.0656 126.3932 58.1300 32.3258 177.7723 106 T 4.5582 7.9846 109.5116 60.8371 68.9760 173.5676 107 F 4.2950 8.4045 123.1974 59.2193 39.5667 173.2361 108 P 2.9700 0.0000 0.0000 63.1446 32.1042 175.9161 109 A 4.1835 7.7292 122.8163 52.0324 19.2246 176.6415 110 C 4.3772 8.2362 121.4854 58.3152 32.3156 173.2383 111 D 4.7535 8.8878 124.3398 53.0136 39.5499 176.9996 112 G 3.8655 8.2500 107.4486 46.3022 0.0000 175.8372 113 S 4.2370 8.3043 116.8519 61.1516 62.6131 175.9571 114 H 4.3016 8.2427 117.9098 58.7257 28.0465 177.2507 115 N 4.3388 7.8895 119.3246 56.0135 38.3354 177.2671 116 K 3.9448 7.9428 120.6281 59.5762 32.3433 178.0817 117 H 4.1280 8.1393 118.1366 59.5296 29.7131 176.9960 118 N 4.3664 8.7709 121.0570 56.8920 38.1169 177.9888 119 E 3.9686 7.9474 118.8640 60.9334 29.9220 180.6981 120 L 4.2882 7.9304 120.8145 57.6998 42.3521 178.3642 121 T 4.3990 7.9479 106.8565 60.9585 69.5840 175.5597 122 G 3.7801 8.1277 109.8126 45.9252 0.0000 173.1301 123 D 4.7845 7.3919 119.7753 53.2542 42.4426 175.4044 124 N 5.1364 8.2014 115.7141 52.4325 37.6214 174.9511 125 V 3.9741 8.2644 111.3538 62.5149 32.5484 175.4271 126 G 4.1805 7.9851 108.6879 44.3789 0.0000 170.1620 127 P 4.8008 0.0000 0.0000 62.3052 32.9498 175.2453 128 L 4.5781 8.7455 122.6796 53.8117 43.6376 174.9107 129 I 4.9289 8.3912 126.8475 59.6374 39.4248 174.7557 130 L 4.6910 9.2034 127.8791 53.2724 43.4894 175.7363 131 K 5.1717 8.5297 122.4768 54.5274 34.9940 176.3601 132 K 4.4210 8.8194 126.6366 55.7099 33.4381 177.7123 133 K 4.0411 8.6251 125.3457 55.1506 32.2243 177.2983 134 E 4.2411 8.7132 117.0183 55.8860 29.5694 176.1044 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 68 D 8.35 4.63 0.00 2.71 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 69 S 7.67 4.73 0.00 4.01 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 70 L 8.97 4.11 0.00 1.60 1.54 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.11 3.92 1.57 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.76 0.00 0.00 72 N 7.39 4.55 0.00 1.49 2.15 0.00 0.00 6.95 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 73 L 8.45 4.31 0.00 1.66 1.68 0.93 0.86 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 74 K 7.81 4.53 0.00 1.68 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.42 7.81 75 I 8.55 3.90 2.06 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.41 0.81 0.00 0.00 76 Q 8.79 3.55 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 77 K 7.76 4.06 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.34 7.81 78 E 8.12 4.08 0.00 2.08 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 0.00 2.29 2.25 0.00 79 N 7.98 4.78 0.00 2.73 2.97 0.00 0.00 7.18 7.20 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 80 P 0.00 4.28 0.00 2.08 2.09 0.00 3.78 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 2.03 2.07 0.00 81 K 8.02 4.08 0.00 1.70 1.70 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.40 7.81 82 V 8.46 4.01 2.57 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 1.23 0.00 0.00 1.06 0.00 0.00 83 V 8.40 4.55 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 0.93 0.00 0.00 1.00 0.00 0.00 84 N 8.74 5.03 0.00 2.57 2.59 0.00 0.00 7.02 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 85 E 8.60 4.52 0.00 2.18 1.83 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 2.24 1.88 0.00 86 I 7.98 4.25 1.64 0.00 0.00 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 1.05 0.13 0.75 0.00 0.00 87 N 8.49 4.63 0.00 2.81 2.77 0.00 0.00 7.12 7.36 0.00 0.00 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 I 8.56 3.61 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.20 0.90 0.00 0.00 89 E 8.36 4.06 0.00 1.98 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 2.23 1.88 0.00 90 D 7.81 4.94 0.00 2.66 2.55 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 91 L 7.88 4.10 0.00 1.68 1.68 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.67 4.49 0.00 3.62 3.76 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 93 L 7.56 4.55 0.00 1.61 1.59 0.87 0.84 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 94 T 8.30 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 1.21 0.00 0.00 95 K 7.86 5.06 0.00 1.72 1.66 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.42 7.81 96 A 9.10 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.23 4.98 1.12 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 0.00 0.00 0.00 98 Y 8.91 4.70 0.00 2.78 2.70 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 99 C 8.63 4.38 0.00 3.06 2.70 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 0.00 100 R 8.64 4.64 0.00 1.98 1.94 0.00 3.25 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 101 C 8.05 4.72 0.00 3.05 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 0.00 102 W 8.13 3.25 0.00 3.40 3.39 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 0.00 103 R 7.99 4.58 0.00 1.81 1.96 0.00 3.42 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 104 S 8.12 4.43 0.00 3.88 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 0.00 105 K 9.07 4.28 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 106 T 7.98 4.56 4.22 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 1.20 0.00 0.00 107 F 8.40 4.29 0.00 3.14 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 0.00 108 P 0.00 2.97 0.00 1.80 1.82 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 109 A 7.73 4.18 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.24 4.38 0.00 2.89 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 0.00 111 D 8.89 4.75 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 0.00 112 G 8.25 3.87 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 0.00 113 S 8.30 4.24 0.00 3.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.30 0.00 3.51 3.60 0.00 5.46 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 0.00 115 N 7.89 4.34 0.00 2.82 2.88 0.00 0.00 6.54 7.15 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 0.00 116 K 7.94 3.94 0.00 1.91 1.93 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.06 7.81 117 H 8.14 4.13 0.00 3.38 3.51 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.77 4.37 0.00 2.92 2.96 0.00 0.00 7.20 7.21 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 0.00 119 E 7.95 3.97 0.00 2.09 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 0.00 2.26 2.19 0.00 120 L 7.93 4.29 0.00 1.67 1.96 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.95 4.40 4.19 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 1.14 0.00 0.00 122 G 8.13 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 0.00 123 D 7.39 4.78 0.00 2.62 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 0.00 124 N 8.20 5.14 0.00 2.82 2.82 0.00 0.00 5.99 7.68 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 0.00 125 V 8.26 3.97 2.14 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 0.81 0.00 0.00 1.08 0.00 0.00 126 G 7.99 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 0.00 127 P 0.00 4.80 0.00 2.04 2.00 0.00 3.60 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 128 L 8.75 4.58 0.00 1.80 1.63 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.39 4.93 1.88 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 1.32 0.75 0.91 0.00 0.00 130 L 9.20 4.69 0.00 1.70 1.63 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.53 5.17 0.00 1.60 1.68 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.43 7.81 132 K 8.82 4.42 0.00 1.65 1.75 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.40 7.81 133 K 8.63 4.04 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 134 E 8.71 4.24 0.00 1.98 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 2.23 1.88 0.00