NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 L 3.7524 8.1849 120.9625 54.1561 41.5807 175.3441 44 P 3.8326 0.0000 0.0000 60.9186 31.2896 175.0498 45 P 4.3676 0.0000 0.0000 64.9311 32.6458 177.5191 46 S 4.2136 7.8792 114.9353 61.1355 63.0403 174.8523 47 L 4.0379 7.2531 120.5674 53.4056 41.8078 175.3271 48 P 4.5553 0.0000 0.0000 62.4318 32.0959 176.4651 49 S 4.1298 8.8257 115.2286 61.2555 62.9957 174.0311 50 D 4.3832 7.8238 122.7090 51.6976 40.6453 174.3914 51 P 2.0000 0.0000 0.0000 64.7130 31.1987 178.9807 52 R 3.7935 7.4636 115.2876 58.1568 29.9697 176.9801 53 L 4.5498 7.5134 116.6291 53.9582 42.3655 176.8486 54 W 4.6859 8.0832 121.2163 56.7227 29.6837 176.4464 55 S 4.6954 9.5522 118.2875 57.5016 65.3127 175.7067 56 R 4.3494 8.3481 121.1399 59.0387 29.7554 178.9262 57 E 3.9887 8.1539 118.5470 59.0856 29.6705 178.4274 58 D 4.1063 7.9739 119.3286 57.1347 40.8206 178.7184 59 V 3.7814 7.8711 118.7658 66.1366 31.4435 178.1433 60 L 4.0827 7.8830 118.6615 57.5752 41.3434 179.5394 61 V 3.4735 7.6996 118.2757 65.8712 31.3749 177.6759 62 F 4.0782 7.9949 120.2383 61.4354 39.1051 177.0925 63 L 3.7211 8.0427 118.3752 57.8284 41.5134 179.7453 64 R 4.0337 8.3484 118.3465 59.2133 29.9849 178.8721 65 F 4.0106 8.4983 120.7753 61.4698 39.3047 177.0242 66 C 3.6891 8.0583 116.5415 62.5245 27.7926 176.1393 67 V 3.5356 7.9564 120.2244 65.9103 31.1894 178.1481 68 R 3.7175 7.6769 118.0265 59.5869 29.8196 178.2251 69 E 3.5368 7.6091 117.2144 58.4887 29.3335 178.4714 70 F 4.8525 7.5997 114.4638 55.8732 40.3988 174.8264 71 D 4.3310 7.6303 116.8890 55.1503 39.7643 173.2478 72 L 4.4152 7.9322 117.9377 53.1316 43.0551 175.6725 73 P 4.5116 0.0000 0.0000 61.6983 32.1822 176.1760 74 K 3.7021 8.4430 117.4719 57.2342 32.2691 176.2385 75 L 4.2395 8.0223 124.9458 53.6382 43.4615 176.0010 76 D 4.5691 8.1050 124.5747 52.6262 40.0960 176.7190 77 F 4.6125 8.2453 125.1428 59.6947 39.3460 177.6050 78 D 4.4841 8.1901 119.8713 57.0569 40.6246 177.4106 79 L 4.1572 7.9570 117.0686 55.7615 41.8063 177.1168 80 F 4.9136 8.0621 117.8505 57.3234 39.7386 176.4939 81 Q 4.4740 8.1686 121.6109 54.4608 27.1751 174.9266 82 M 4.7288 7.7005 118.0603 52.6851 34.3554 175.0186 83 N 4.9347 8.5614 118.5783 51.9852 40.1821 176.1335 84 G 3.7590 9.3701 107.4467 47.7336 0.0000 175.5491 85 K 3.8142 8.1261 120.6038 59.6323 32.3896 178.3204 86 R 4.0708 8.4795 118.6916 58.9973 30.1084 177.8877 87 L 4.0343 8.0777 120.3091 58.5821 41.9444 178.5709 88 C 4.4404 8.2109 114.0007 61.3580 28.1434 174.7707 89 L 4.4939 7.7642 119.6459 53.8468 42.1918 176.7801 90 L 4.2231 7.3727 120.2688 54.7967 42.2187 177.8591 91 T 4.3665 8.8264 114.3609 60.9934 71.1023 175.8440 92 R 3.7227 8.3678 120.5034 59.5626 30.0058 178.3050 93 A 3.9254 7.9322 120.0854 54.9215 18.5309 179.1569 94 D 4.3141 8.0912 117.5334 57.7029 40.8692 179.0159 95 F 4.2216 8.4401 118.3564 60.4915 38.6460 177.8076 96 G 3.7365 8.3733 105.5012 48.3932 0.0000 175.4374 97 H 4.4273 7.9785 117.4606 58.6413 28.8247 177.8059 98 R 4.2528 7.8148 118.1205 57.5545 31.3383 176.8373 99 C 4.8127 8.4549 119.3521 56.5513 32.0759 169.7657 100 P 4.7063 0.0000 0.0000 63.0392 31.7632 176.3442 101 G 4.0932 10.0200 109.6681 45.6586 0.0000 173.9804 102 A 4.6140 7.7930 117.4756 50.6381 21.3193 177.5057 103 G 3.9096 8.6347 106.1075 48.2781 0.0000 175.9647 104 D 4.3191 8.0399 120.9248 56.0483 39.3829 178.7509 105 V 3.3992 7.5825 119.0925 65.7343 31.5885 177.6584 106 L 3.9330 7.6377 118.6710 58.0593 41.4020 179.0055 107 H 3.1889 7.7102 117.8860 59.1763 29.6806 177.0124 108 N 4.2595 8.1381 118.1927 56.1684 38.3152 177.5747 109 V 3.6246 8.0299 119.9297 65.8568 31.7840 177.7526 110 L 3.8425 8.1127 120.0963 58.3883 41.9797 178.7958 111 Q 3.9165 8.1933 118.2301 59.4259 28.5520 179.0733 112 M 4.0849 8.3112 119.7442 58.3687 31.9334 178.8118 113 L 4.0033 8.0083 119.1807 57.6125 41.4697 179.7512 114 I 3.5241 7.3051 118.7797 64.3447 37.3931 177.8395 115 I 3.8610 7.6619 120.6291 64.8180 36.5019 178.1466 116 E 4.5119 8.7376 120.8746 58.9243 29.0971 179.4927 117 S 4.1494 7.9036 113.0956 61.1981 62.7198 175.4256 118 H 4.6311 7.3639 117.5152 57.4229 29.7685 174.9792 119 S 4.3078 8.2103 119.4421 58.8862 62.6609 174.0896 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 L 8.18 3.75 0.00 0.27 0.68 0.85 0.35 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 44 P 0.00 3.83 0.00 2.07 1.95 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 45 P 0.00 4.37 0.00 2.15 2.15 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 46 S 7.88 4.21 0.00 3.80 3.91 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 47 L 7.25 4.04 0.00 1.65 1.54 0.63 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.56 0.00 2.29 2.15 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.20 0.00 49 S 8.83 4.13 0.00 3.98 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 50 D 7.82 4.38 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 2.00 0.00 1.39 0.49 0.00 3.24 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 52 R 7.46 3.79 0.00 1.91 1.90 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 53 L 7.51 4.55 0.00 1.70 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.08 4.69 0.00 3.46 2.97 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 55 S 9.55 4.70 0.00 4.03 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 56 R 8.35 4.35 0.00 1.91 2.07 0.00 3.44 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 57 E 8.15 3.99 0.00 2.06 1.91 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 2.33 2.40 0.00 58 D 7.97 4.11 0.00 2.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.78 2.50 0.00 0.00 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 0.00 0.00 1.36 0.00 0.00 60 L 7.88 4.08 0.00 1.99 1.53 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.70 3.47 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 0.95 0.00 0.00 0.94 0.00 0.00 62 F 7.99 4.08 0.00 2.50 3.14 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 63 L 8.04 3.72 0.00 2.04 1.71 0.73 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.35 4.03 0.00 1.93 1.95 0.00 2.91 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 65 F 8.50 4.01 0.00 3.06 3.18 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 66 C 8.06 3.69 0.00 2.91 2.96 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 67 V 7.96 3.54 2.25 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 1.11 0.00 0.00 0.94 0.00 0.00 68 R 7.68 3.72 0.00 1.83 1.77 0.00 3.07 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 69 E 7.61 3.54 0.00 1.16 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 1.47 1.47 0.00 70 F 7.60 4.85 0.00 3.07 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 71 D 7.63 4.33 0.00 2.82 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 72 L 7.93 4.42 0.00 1.67 1.58 0.97 1.19 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 73 P 0.00 4.51 0.00 2.17 2.06 0.00 3.81 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 1.98 0.00 74 K 8.44 3.70 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 75 L 8.02 4.24 0.00 1.23 0.45 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.11 4.57 0.00 2.69 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 77 F 8.25 4.61 0.00 3.31 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 78 D 8.19 4.48 0.00 2.92 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 79 L 7.96 4.16 0.00 1.32 1.27 0.85 0.50 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 80 F 8.06 4.91 0.00 3.15 3.14 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 81 Q 8.17 4.47 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.70 2.34 0.00 82 M 7.70 4.73 0.00 2.19 2.16 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 2.70 2.66 0.00 83 N 8.56 4.93 0.00 3.27 3.08 0.00 0.00 5.83 6.93 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 84 G 9.37 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 0.00 0.00 0.00 85 K 8.13 3.81 0.00 1.77 2.07 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.51 7.81 86 R 8.48 4.07 0.00 1.95 1.94 0.00 3.17 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 87 L 8.08 4.03 0.00 2.10 1.96 1.28 1.17 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 C 8.21 4.44 0.00 3.12 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 89 L 7.76 4.49 0.00 1.77 1.73 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.37 4.22 0.00 1.88 1.56 0.38 0.67 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 91 T 8.83 4.37 4.26 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 1.24 0.00 0.00 92 R 8.37 3.72 0.00 1.66 1.90 0.00 3.15 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 93 A 7.93 3.93 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 94 D 8.09 4.31 0.00 3.05 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.22 0.00 3.38 3.23 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 96 G 8.37 3.74 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 0.00 0.00 0.00 97 H 7.98 4.43 0.00 3.28 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.81 4.25 0.00 1.71 1.79 0.00 3.03 0.00 0.00 2.57 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.35 0.00 99 C 8.45 4.81 0.00 3.13 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 0.00 100 P 0.00 4.71 0.00 2.24 2.08 0.00 3.43 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 101 G 10.02 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 0.00 102 A 7.79 4.61 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 0.00 103 G 8.63 3.91 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 0.00 0.00 0.00 104 D 8.04 4.32 0.00 2.88 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 0.00 105 V 7.58 3.40 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 0.63 0.00 0.00 0.78 0.00 0.00 106 L 7.64 3.93 0.00 1.73 1.67 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 107 H 7.71 3.19 0.00 2.66 3.25 0.00 5.59 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 0.00 108 N 8.14 4.26 0.00 2.84 2.82 0.00 0.00 6.73 7.23 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 0.00 109 V 8.03 3.62 2.45 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 1.40 0.00 0.00 1.08 0.00 0.00 110 L 8.11 3.84 0.00 1.94 1.74 0.47 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.19 3.92 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 112 M 8.31 4.08 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.94 0.00 113 L 8.01 4.00 0.00 1.81 1.57 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.31 3.52 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 0.84 0.00 0.00 115 I 7.66 3.86 2.01 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 1.81 0.87 0.91 0.00 0.00 116 E 8.74 4.51 0.00 2.30 2.00 0.00 0.00 0.00 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 2.24 0.00 117 S 7.90 4.15 0.00 3.88 4.12 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 0.00 118 H 7.36 4.63 0.00 3.36 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.21 4.31 0.00 4.01 4.01 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