NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 M 4.2937 8.2931 120.3657 55.7584 33.5491 173.8888 44 G 3.8330 7.6924 110.8716 43.1258 0.0000 172.8202 45 S 4.2788 8.9394 113.3811 60.3608 63.8950 172.7722 46 M 4.7581 7.8952 120.1408 54.9715 33.9272 173.9813 47 V 4.6677 7.5169 115.8290 60.4414 33.8480 175.0177 48 C 4.3401 8.6770 127.8955 59.5194 32.1740 174.2778 49 D 4.5029 8.9182 124.1643 56.2275 40.6793 176.4282 50 V 4.2411 7.5270 115.9340 64.4676 33.2022 176.0997 51 C 4.3566 8.0449 112.9341 58.6584 30.2432 173.3228 52 H 4.6882 8.1403 117.8332 56.2062 28.1620 173.0194 53 H 5.0047 7.4280 115.8639 53.6594 32.4617 173.6333 54 E 4.9765 8.0598 119.8966 55.6163 30.7646 174.8721 55 C 4.7983 8.0776 119.0592 57.4064 34.6292 173.7208 56 E 4.1141 8.9198 121.8546 58.9274 29.3043 177.9916 57 T 4.7128 7.3910 107.1219 58.9245 73.1894 174.4460 58 A 4.0734 8.5039 123.0025 54.0586 18.5601 179.3801 59 K 4.1310 7.8453 118.0890 59.1031 32.6414 178.4087 60 E 4.2102 8.4328 118.6779 58.8223 29.2361 178.7410 61 L 3.8746 7.6413 120.7597 58.2879 41.7108 178.6848 62 E 4.0047 7.9437 117.7877 59.1433 29.3939 178.8968 63 S 4.2466 7.9553 114.9342 61.3055 63.0100 175.3873 64 H 4.1248 8.5014 121.5155 59.5846 29.5548 177.2198 65 R 3.9686 7.9522 117.2562 59.6875 28.9260 178.6433 66 Q 4.1178 7.5978 117.1283 57.9365 28.4000 177.9660 67 S 4.4788 7.7733 116.3028 60.7993 63.4211 176.0391 68 C 4.1826 8.2951 119.6156 63.0182 27.7404 176.0471 69 I 3.7310 7.7593 118.5010 63.1221 37.5342 176.4955 70 N 4.9205 7.8558 114.4313 52.2255 39.2793 174.8493 71 G 3.9257 8.2821 108.5842 46.2524 0.0000 173.1364 72 Q 4.9935 7.9716 119.2958 53.6591 31.4712 174.5533 73 C 4.6639 8.6495 122.5547 57.3104 32.2357 172.9793 74 P 4.1869 0.0000 0.0000 64.5047 31.3233 176.4290 75 Y 4.4425 7.7275 113.9003 59.6466 40.6136 176.1610 76 C 4.3093 8.2924 112.0998 58.4587 30.3342 174.2240 77 M 3.3387 8.2381 118.0298 56.1685 29.7736 176.7242 78 T 4.0184 7.2934 115.0761 64.0987 69.6985 173.1524 79 I 4.9520 8.1346 124.8951 60.2179 39.9572 174.8291 80 T 4.5168 8.5981 119.1859 61.2063 70.9091 172.4216 81 E 4.0840 8.7345 120.1269 56.6078 30.0392 177.0462 82 A 4.4132 8.3624 125.4006 53.0494 18.7848 177.9856 83 T 4.7506 7.5445 110.4589 60.5489 73.0299 173.5633 84 E 4.0309 8.7211 121.2911 59.9328 29.0540 179.5942 85 S 4.1204 8.0884 115.2960 61.3124 62.9916 176.3610 86 A 4.0310 7.6775 121.9853 54.9771 18.1869 179.7188 87 L 3.7479 8.0669 117.5662 57.9654 41.7295 179.7108 88 Q 4.1032 8.6058 118.2298 58.9968 28.4294 178.7478 89 A 4.0144 7.4945 120.1432 55.2499 18.6685 179.0549 90 H 4.0903 7.9217 116.1748 59.7287 30.0094 177.2815 91 Y 4.3571 7.7930 118.2842 60.6606 37.3678 178.5141 92 S 4.4534 8.1327 115.7161 60.2456 62.9444 174.6980 93 I 4.4564 7.6430 112.1433 60.0612 38.3255 174.5700 94 C 4.8185 7.6917 120.6259 57.9144 33.2833 173.3504 95 K 4.6598 8.4697 123.2657 55.9034 33.6484 177.7336 96 L 3.9246 7.9603 120.4186 56.8667 41.7216 178.8364 97 T 4.1981 7.0668 108.9842 64.4768 68.4612 175.3754 98 G 3.8485 7.1675 110.0340 44.3927 0.0000 173.2883 99 R 4.0600 7.4286 124.9944 55.9489 31.0350 175.4464 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 43 M 8.29 4.29 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 44 G 7.69 3.83 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 0.00 0.00 0.00 45 S 8.94 4.28 0.00 3.97 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 46 M 7.90 4.76 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 47 V 7.52 4.67 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.84 0.00 0.00 48 C 8.68 4.34 0.00 2.90 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 49 D 8.92 4.50 0.00 2.73 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 50 V 7.53 4.24 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 0.88 0.00 0.00 0.97 0.00 0.00 51 C 8.04 4.36 0.00 3.40 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.69 0.00 3.26 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 7.43 5.00 0.00 3.18 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.06 4.98 0.00 1.92 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 1.99 2.05 0.00 55 C 8.08 4.80 0.00 2.69 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 56 E 8.92 4.11 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 57 T 7.39 4.71 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 1.20 0.00 0.00 58 A 8.50 4.07 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 59 K 7.85 4.13 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 60 E 8.43 4.21 0.00 2.12 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 2.34 2.59 0.00 61 L 7.64 3.87 0.00 1.90 1.80 0.77 0.76 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 62 E 7.94 4.00 0.00 2.13 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 0.00 2.31 2.35 0.00 63 S 7.96 4.25 0.00 4.12 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 64 H 8.50 4.12 0.00 3.33 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.95 3.97 0.00 2.08 2.22 0.00 2.88 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.70 0.00 66 Q 7.60 4.12 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 67 S 7.77 4.48 0.00 3.97 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 68 C 8.30 4.18 0.00 3.20 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 69 I 7.76 3.73 1.98 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 1.53 0.63 0.97 0.00 0.00 70 N 7.86 4.92 0.00 2.85 2.79 0.00 0.00 7.21 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 71 G 8.28 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 72 Q 7.97 4.99 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 73 C 8.65 4.66 0.00 2.91 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 74 P 0.00 4.19 0.00 2.30 2.20 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.96 0.00 75 Y 7.73 4.44 0.00 2.98 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 76 C 8.29 4.31 0.00 3.17 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 77 M 8.24 3.34 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 78 T 7.29 4.02 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 1.11 0.00 0.00 79 I 8.13 4.95 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.91 0.00 0.00 80 T 8.60 4.52 4.15 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 1.09 0.00 0.00 81 E 8.73 4.08 0.00 1.98 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 2.30 2.29 0.00 82 A 8.36 4.41 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 83 T 7.54 4.75 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 E 8.72 4.03 0.00 2.45 2.44 0.00 0.00 0.00 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 2.44 0.00 85 S 8.09 4.12 0.00 3.89 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 86 A 7.68 4.03 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.07 3.75 0.00 1.86 1.89 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.61 4.10 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.14 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 89 A 7.49 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 90 H 7.92 4.09 0.00 3.09 2.96 0.00 5.79 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 91 Y 7.79 4.36 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.45 0.00 4.02 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 93 I 7.64 4.46 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.90 0.00 0.00 94 C 7.69 4.82 0.00 2.76 2.84 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 95 K 8.47 4.66 0.00 1.78 1.73 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.37 7.81 96 L 7.96 3.92 0.00 1.79 1.78 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.07 4.20 4.30 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 1.35 0.00 0.00 98 G 7.17 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 0.00 0.00 0.00 99 R 7.43 4.06 0.00 1.68 1.70 0.00 3.25 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00