NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 68 A 4.4441 8.2229 123.5834 52.2693 20.8062 179.7386 69 K 3.8380 7.9788 120.3654 59.5154 31.8991 179.2307 70 A 4.2606 8.9584 123.1077 55.4124 18.4230 179.0992 71 E 4.1240 8.5062 118.4250 59.4599 29.3256 179.1227 72 E 4.5661 7.6532 120.8513 59.3142 30.6919 182.9644 *73 M 4.4926 9.8365 117.4001 58.6752 31.6595 181.6883 74 L 4.8241 7.6853 116.2051 56.1736 43.4028 179.3206 75 S 3.9610 7.5787 118.1395 61.9376 62.7698 176.6848 76 K 4.5178 7.8531 117.8553 54.2991 31.8745 177.9510 77 Q 4.4154 7.6476 120.7604 56.9920 29.7197 176.8374 78 R 4.2193 8.4001 119.2221 58.4960 30.5052 176.8749 79 H 4.6700 7.9541 116.9663 54.7924 29.1929 174.5571 80 D 4.7470 8.6971 124.7622 56.3422 41.0786 176.7811 81 G 4.0804 9.4311 112.1650 44.9736 0.0000 173.8201 82 A 4.3770 7.8972 121.8780 53.0548 19.2635 176.7105 83 F 5.5757 8.5611 115.2849 55.7519 41.6481 172.9109 84 L 4.5119 9.0974 118.3998 54.3211 44.2210 174.9064 85 I 5.2120 8.2387 119.6753 60.0032 40.4580 175.3929 86 R 4.6427 8.6512 120.2411 56.0163 32.9307 172.9043 87 E 4.7315 8.6836 118.8469 55.3071 31.9086 176.4483 *93 G 3.6072 8.3833 107.6014 45.2195 0.0000 171.6135 94 D 4.5608 7.5041 118.6961 51.8934 43.0395 175.2632 95 F 5.8530 8.2002 123.7739 55.2004 43.0463 174.4109 96 S 5.0722 8.6173 115.9426 56.9096 67.2420 172.4786 97 L 5.2092 9.0028 126.3817 53.6560 44.2691 175.1429 98 S 5.3407 9.1938 121.4280 56.8256 66.8684 173.2543 99 V 5.0292 8.6821 125.3585 61.6370 34.7635 175.2023 100 K 4.8190 9.3147 132.5381 55.3287 32.8833 172.4067 101 F 4.7638 9.4483 127.3042 56.2274 42.4527 175.1470 102 G 3.4488 7.4624 114.9804 46.3826 0.0000 175.1473 103 N 4.4025 8.8124 123.4226 55.6581 37.8952 176.2504 104 D 4.5533 7.9989 116.8159 53.2186 40.4744 177.4897 105 V 4.9928 8.1784 119.3204 61.7515 33.7969 174.8728 106 Q 4.4939 8.9099 127.1152 55.1698 30.7456 174.4625 107 H 5.3826 8.3455 119.0169 54.0595 32.0089 172.7868 108 F 4.7519 9.1831 121.9784 55.3378 41.8263 174.6021 109 K 4.4010 8.4889 124.5699 55.8733 33.1100 176.3383 110 V 3.9218 8.4935 128.2928 62.1762 31.6544 175.6232 111 L 4.1879 8.5869 131.5784 55.0383 42.9412 177.1103 112 R 5.6627 8.3858 120.9811 54.2440 33.2222 175.8686 113 D 4.8555 8.6383 123.3713 51.2820 41.8248 176.7515 114 G 3.7046 8.5423 106.1698 47.2936 0.0000 174.1245 115 A 4.2389 8.0912 121.4217 51.9408 19.1745 178.0541 116 G 3.8270 8.1278 104.3518 45.1584 0.0000 174.4660 117 K 4.1233 7.8170 119.1612 56.3724 32.6711 175.7524 118 Y 5.2936 8.3468 119.5906 56.7593 40.1354 174.9871 119 F 5.0493 8.7290 116.2665 56.3189 41.0102 174.6481 120 L 4.0893 8.6435 120.4141 54.9514 43.3880 176.8252 121 W 5.1875 7.9921 115.3058 54.9080 32.8524 175.2546 122 V 4.0599 8.5107 120.2463 61.6486 30.1253 175.4114 123 V 3.6910 7.7568 127.2418 60.8433 29.9883 174.9571 124 K 4.1403 6.7982 121.6901 54.3220 36.3137 175.4547 125 F 4.9642 8.0306 118.1966 55.7316 42.6237 175.3900 126 N 4.6267 9.0634 120.0112 55.4849 39.0541 176.1415 127 S 4.6971 7.7180 112.1851 55.6042 67.1467 174.4861 128 L 3.9092 8.6326 125.1245 58.4208 41.7134 178.7078 129 N 4.2108 8.2281 116.4407 56.9001 38.7874 176.5156 130 E 3.8243 7.9153 119.3802 59.2382 29.6433 178.8616 131 L 2.5609 7.4294 120.2499 57.9296 41.8104 179.5627 132 V 3.5788 7.6419 111.3015 64.5625 31.8084 177.9752 133 D 4.4478 8.1863 118.7407 57.3096 40.6652 177.8714 134 Y 4.0788 8.2382 120.4074 61.3497 38.8095 177.6853 135 H 5.0296 8.0555 115.6633 56.0803 28.7043 177.4850 136 R 4.2731 7.7734 120.8875 58.4710 29.9304 177.1920 137 S 4.5249 7.8044 110.8483 57.9267 65.0518 173.9026 138 T 4.8182 7.4950 116.9800 61.3428 72.0782 173.3522 139 S 4.1361 8.4009 119.8142 58.3764 62.9451 174.5823 140 V 3.7926 8.3587 119.6536 62.5273 31.8258 176.3330 141 S 4.8146 7.3415 113.6019 56.1581 64.5343 174.1797 142 R 4.1155 8.5293 124.6090 59.3034 30.1950 177.9518 143 N 4.4684 8.2493 116.0336 55.3703 39.0602 175.5854 144 Q 4.6327 7.5465 114.3150 52.9773 31.4650 177.2681 145 Q 4.1812 8.2337 115.6510 55.4371 29.7189 176.2170 146 I 4.1951 7.0631 124.4980 60.5570 40.7048 173.6309 147 F 5.3602 8.5409 125.8563 55.1839 41.4729 175.8698 148 L 4.2617 8.7487 125.5555 55.5921 42.2579 178.2893 149 R 4.2126 8.2768 120.2369 56.5880 30.4290 173.0048 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 A 8.22 4.44 1.33 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 0.00 0.00 69 K 7.98 3.84 0.00 1.86 1.82 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.14 7.81 70 A 8.96 4.26 1.39 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 0.00 0.00 71 E 8.51 4.12 0.00 2.33 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 2.52 2.56 0.00 72 E 7.65 4.57 0.00 2.01 1.85 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 2.19 2.03 0.00 *73 M 9.84 4.49 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 74 L 7.69 4.82 0.00 1.80 1.74 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.58 3.96 0.00 4.04 3.90 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 76 K 7.85 4.52 0.00 1.77 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.01 7.81 77 Q 7.65 4.42 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 78 R 8.40 4.22 0.00 1.82 1.83 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 79 H 7.95 4.67 0.00 3.22 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.70 4.75 0.00 2.69 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.43 4.08 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 0.00 0.00 0.00 82 A 7.90 4.38 1.40 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 0.00 0.00 83 F 8.56 5.58 0.00 3.27 3.20 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 0.00 0.00 0.00 0.00 84 L 9.10 4.51 0.00 1.65 1.63 0.97 0.89 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 85 I 8.24 5.21 1.87 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 1.46 0.88 0.84 0.00 0.00 86 R 8.65 4.64 0.00 1.92 2.08 0.00 2.78 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 87 E 8.68 4.73 0.00 1.96 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 2.14 2.40 0.00 *93 G 8.38 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.56 0.00 2.44 2.37 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 95 F 8.20 5.85 0.00 3.11 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 96 S 8.62 5.07 0.00 3.78 3.77 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 97 L 9.00 5.21 0.00 1.84 1.62 1.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 98 S 9.19 5.34 0.00 3.88 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 99 V 8.68 5.03 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.06 0.00 0.00 100 K 9.31 4.82 0.00 1.47 1.68 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.37 1.26 7.81 101 F 9.45 4.76 0.00 3.15 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 0.00 102 G 7.46 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.81 4.40 0.00 2.82 2.93 0.00 0.00 5.75 8.06 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 0.00 104 D 8.00 4.55 0.00 2.62 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 0.00 105 V 8.18 4.99 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 0.94 0.00 0.00 1.03 0.00 0.00 106 Q 8.91 4.49 0.00 2.22 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 107 H 8.35 5.38 0.00 2.93 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.18 4.75 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 4.40 0.00 1.68 1.59 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.45 7.81 110 V 8.49 3.92 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 111 L 8.59 4.19 0.00 0.27 0.79 0.54 0.86 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 0.00 112 R 8.39 5.66 0.00 1.54 1.64 0.00 3.15 0.00 0.00 3.93 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.00 113 D 8.64 4.86 0.00 2.93 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 0.00 114 G 8.54 3.70 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 0.00 0.00 0.00 115 A 8.09 4.24 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 0.00 116 G 8.13 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 0.00 117 K 7.82 4.12 0.00 2.24 1.78 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.48 7.81 118 Y 8.35 5.29 0.00 3.05 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 0.00 119 F 8.73 5.05 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.64 4.09 0.00 1.33 0.95 0.60 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.99 5.19 0.00 3.19 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 0.00 122 V 8.51 4.06 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 0.71 0.00 0.00 1.04 0.00 0.00 123 V 7.76 3.69 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 0.56 0.00 0.00 1.04 0.00 0.00 124 K 6.80 4.14 0.00 1.50 1.47 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.28 7.81 125 F 8.03 4.96 0.00 3.01 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 0.00 126 N 9.06 4.63 0.00 2.76 2.91 0.00 0.00 6.74 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 0.00 127 S 7.72 4.70 0.00 4.00 3.92 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 0.00 128 L 8.63 3.91 0.00 1.78 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.23 4.21 0.00 2.78 2.80 0.00 0.00 7.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 7.92 3.82 0.00 2.18 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 2.36 2.33 0.00 131 L 7.43 2.56 0.00 1.52 1.74 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.64 3.58 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 0.83 0.00 0.00 0.97 0.00 0.00 133 D 8.19 4.45 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 8.24 4.08 0.00 2.64 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 0.00 135 H 8.06 5.03 0.00 3.36 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.77 4.27 0.00 1.97 1.97 0.00 3.08 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 137 S 7.80 4.52 0.00 3.66 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.50 4.82 3.44 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 0.00 0.00 1.19 0.00 0.00 139 S 8.40 4.14 0.00 3.55 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.36 3.79 1.98 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 0.58 0.00 0.00 0.93 0.00 0.00 141 S 7.34 4.81 0.00 3.78 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 0.00 142 R 8.53 4.12 0.00 1.84 1.97 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 143 N 8.25 4.47 0.00 2.67 2.85 0.00 0.00 6.57 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.55 4.63 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 145 Q 8.23 4.18 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 146 I 7.06 4.20 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.85 0.00 0.00 147 F 8.54 5.36 0.00 2.84 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 0.00 148 L 8.75 4.26 0.00 1.67 1.62 0.92 0.58 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 0.00 149 R 8.28 4.21 0.00 1.76 1.60 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.