NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 R 4.2310 8.2431 119.7139 55.7417 31.3439 175.3652 48 G 3.6935 8.1818 109.9503 45.6520 0.0000 171.7059 49 M 4.5393 9.0526 124.2358 56.5894 35.5243 174.9257 50 T 3.9258 7.8254 114.5719 64.5095 69.2122 173.9459 51 S 3.4329 9.4472 119.9601 59.1927 59.7947 167.9886 52 K 3.7575 8.2719 125.1448 55.0920 28.1850 173.9279 53 P 4.5900 0.0000 0.0000 61.8457 32.3211 177.9411 54 A 4.3199 8.3706 124.3264 50.7151 17.1928 174.4974 55 G 4.0997 7.8708 107.9690 43.0288 0.0000 170.7973 56 F 4.1718 8.6894 128.3770 57.7624 40.4208 176.1876 57 M 4.1261 7.7510 127.2377 57.7605 31.9270 178.7416 58 K 4.1207 8.1428 118.5782 59.0659 32.3395 178.5363 59 K 4.2228 8.1042 119.0254 58.3098 32.0904 178.7270 60 L 4.0854 7.5614 118.5652 57.8619 41.0930 179.3564 61 R 3.9676 7.9962 117.5250 58.8415 30.0638 178.6876 62 A 3.9194 7.6988 119.7187 55.0147 18.4003 179.5611 63 A 4.0147 8.0249 119.4547 54.9125 18.3111 179.8274 64 K 4.0704 7.7192 116.2628 59.2276 32.7762 178.7897 65 L 4.1482 7.2142 121.0860 57.8625 42.3721 178.1393 66 A 4.1402 7.9804 119.7597 54.3083 18.2552 179.2913 67 A 4.1090 7.8222 119.3784 54.7936 18.5489 177.6939 68 P 4.1551 0.0000 0.0000 63.7833 31.1983 176.8598 69 E 4.1663 6.9136 117.1360 56.4767 30.2435 175.5969 70 N 4.7581 7.4296 117.6167 51.2002 42.4222 174.0057 71 E 3.9649 8.6538 125.9352 55.8108 29.9937 175.9475 72 K 4.2423 8.5681 128.0159 54.9534 32.2563 174.9614 73 P 4.2808 0.0000 0.0000 63.3761 32.0007 175.9330 74 A 4.3743 7.1412 122.9172 50.3545 19.7287 175.1816 75 P 4.3737 0.0000 0.0000 62.5938 31.6586 176.1505 76 V 3.8432 8.1703 126.2808 62.3045 32.6255 175.3216 77 R 4.3709 8.4821 127.3371 56.7752 31.2035 177.4360 78 T 4.6151 9.0051 120.3370 63.3161 71.1725 173.8946 79 H 4.7105 8.6198 120.0284 56.3466 29.4027 175.6781 80 M 4.1210 7.9481 120.7669 55.5319 31.5121 176.0388 81 R 4.3128 8.6285 120.8390 58.0560 30.8012 175.5603 82 N 5.3209 7.8232 116.9353 51.7380 36.8217 174.2361 83 M 5.1688 7.9872 118.3851 53.5164 35.3830 174.0204 84 I 3.9114 8.0779 120.7941 59.9366 39.3918 174.8183 85 I 4.3030 7.9131 122.3248 60.1392 39.0238 175.4943 86 V 4.5188 8.1028 117.2723 58.7746 34.9567 174.6907 87 P 4.4724 0.0000 0.0000 64.3136 31.2733 177.2188 88 E 4.3434 8.0238 115.0920 56.8405 30.3708 176.6007 89 M 4.3436 7.8257 118.9879 55.7410 32.7798 176.1735 90 I 3.8643 7.4380 120.7238 62.5342 37.1743 174.7950 91 G 4.3034 7.8534 122.3766 45.4314 0.0000 173.7336 92 S 4.0353 7.3888 114.3722 57.8361 63.6950 174.7734 93 V 4.0113 8.3364 125.3274 62.4121 31.8550 175.2350 94 V 4.0274 8.4102 128.1584 60.5724 33.0228 176.4149 95 G 4.3654 8.0221 107.1975 43.6139 0.0000 171.6155 96 I 4.8750 7.7623 119.6492 60.6839 39.3267 174.8522 97 Y 4.1967 8.4041 128.0072 57.0530 39.7174 173.3079 98 N 4.6030 7.0517 117.3692 52.5980 40.1726 175.0873 99 G 3.2988 5.9315 113.1641 45.2255 0.0000 173.9575 100 K 4.0949 7.7989 122.8242 56.6207 33.2254 176.2066 101 A 4.7974 7.3003 119.9808 51.0632 22.2484 174.0876 102 F 5.4075 8.5499 116.3824 56.5603 43.0606 175.5186 103 N 4.7778 8.9136 118.2310 56.8976 38.9686 176.5067 104 Q 2.8892 7.7068 111.7701 57.0029 26.8245 175.2576 105 V 4.0020 8.1602 126.2005 61.7850 32.6406 174.6828 106 E 4.5393 8.5576 126.9459 54.4794 31.5412 174.3401 107 I 4.3031 8.2762 128.2426 60.0235 39.2110 174.7203 108 R 4.8253 8.4749 127.7128 53.6161 33.3527 174.8530 109 P 4.6173 0.0000 0.0000 63.6906 31.5354 176.6464 110 E 4.4162 7.6502 117.3215 57.5456 30.0313 176.8298 111 M 4.2982 7.8450 117.3260 56.0972 32.7171 175.8175 112 L 4.3363 7.7710 119.8947 53.2679 42.2473 176.6981 113 G 4.3642 8.2677 122.6158 46.7938 0.0000 172.2442 114 H 4.8103 7.0034 117.6427 54.9980 30.7318 172.8773 115 Y 5.0421 8.3045 117.5487 56.6657 40.4358 175.6306 116 L 4.4440 7.9985 122.1019 54.5714 41.6446 177.7701 117 G 3.8249 8.3086 110.3809 46.4421 0.0000 170.9394 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 47 R 8.24 4.23 0.00 1.91 2.12 0.00 3.25 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 48 G 8.18 3.69 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 0.00 0.00 0.00 49 M 9.05 4.54 0.00 1.97 2.06 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 2.66 2.55 0.00 50 T 7.83 3.93 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 1.22 0.00 0.00 51 S 9.45 3.43 0.00 3.96 3.86 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 52 K 8.27 3.76 0.00 1.98 1.90 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.41 7.81 53 P 0.00 4.59 0.00 2.09 2.07 0.00 3.35 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 54 A 8.37 4.32 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 4.10 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 0.00 0.00 0.00 56 F 8.69 4.17 0.00 3.36 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 57 M 7.75 4.13 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 58 K 8.14 4.12 0.00 2.02 1.97 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.78 1.74 7.81 59 K 8.10 4.22 0.00 1.90 1.86 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 60 L 7.56 4.09 0.00 1.97 1.69 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.00 3.97 0.00 2.04 1.98 0.00 3.12 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 62 A 7.70 3.92 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 63 A 8.02 4.01 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 64 K 7.72 4.07 0.00 1.85 1.95 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.69 7.81 65 L 7.21 4.15 0.00 1.64 1.83 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.98 4.14 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 67 A 7.82 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.05 2.11 0.00 3.93 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 2.15 2.06 0.00 69 E 6.91 4.17 0.00 2.00 1.90 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 2.49 2.35 0.00 70 N 7.43 4.76 0.00 2.64 2.67 0.00 0.00 6.89 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 71 E 8.65 3.96 0.00 1.97 1.84 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 2.29 2.29 0.00 72 K 8.57 4.24 0.00 1.82 1.67 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.40 7.81 73 P 0.00 4.28 0.00 2.21 2.14 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 74 A 7.14 4.37 1.16 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 0.00 0.00 75 P 0.00 4.37 0.00 1.96 2.03 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 76 V 8.17 3.84 2.07 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 0.90 0.00 0.00 0.91 0.00 0.00 77 R 8.48 4.37 0.00 1.63 1.79 0.00 3.28 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 78 T 9.01 4.62 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 1.25 0.00 0.00 79 H 8.62 4.71 0.00 3.19 3.40 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 M 7.95 4.12 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 81 R 8.63 4.31 0.00 2.01 2.19 0.00 2.93 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 82 N 7.82 5.32 0.00 2.63 2.95 0.00 0.00 6.67 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 83 M 7.99 5.17 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 84 I 8.08 3.91 1.50 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 1.21 0.59 0.80 0.00 0.00 85 I 7.91 4.30 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.93 0.00 0.00 86 V 8.10 4.52 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 0.96 0.00 0.00 0.98 0.00 0.00 87 P 0.00 4.47 0.00 2.03 2.09 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 88 E 8.02 4.34 0.00 2.07 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 0.00 2.24 2.26 0.00 89 M 7.83 4.34 0.00 2.15 2.26 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 2.56 2.51 0.00 90 I 7.44 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.98 0.00 0.00 91 G 7.85 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 0.00 0.00 0.00 0.00 92 S 7.39 4.04 0.00 3.94 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 93 V 8.34 4.01 2.07 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 1.06 0.00 0.00 0.93 0.00 0.00 94 V 8.41 4.03 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 0.79 0.00 0.00 0.97 0.00 0.00 95 G 8.02 4.37 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 0.00 96 I 7.76 4.87 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.09 0.99 0.00 0.00 97 Y 8.40 4.20 0.00 2.42 2.53 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 0.00 98 N 7.05 4.60 0.00 2.58 2.63 0.00 0.00 6.79 7.53 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 99 G 5.93 3.30 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 0.00 100 K 7.80 4.09 0.00 1.69 1.85 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.33 7.81 101 A 7.30 4.80 1.27 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 0.00 0.00 102 F 8.55 5.41 0.00 2.96 2.95 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 0.00 0.00 0.00 103 N 8.91 4.78 0.00 2.69 2.75 0.00 0.00 7.22 7.08 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 0.00 104 Q 7.71 2.89 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 105 V 8.16 4.00 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 0.80 0.00 0.00 1.06 0.00 0.00 106 E 8.56 4.54 0.00 1.98 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 2.18 2.27 0.00 107 I 8.28 4.30 1.89 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 1.36 1.25 1.03 0.00 0.00 108 R 8.47 4.83 0.00 1.80 1.80 0.00 3.19 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 109 P 0.00 4.62 0.00 2.18 2.15 0.00 3.75 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 1.99 1.98 0.00 110 E 7.65 4.42 0.00 2.03 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 0.00 2.28 2.27 0.00 111 M 7.84 4.30 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 112 L 7.77 4.34 0.00 1.61 1.59 0.97 0.96 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 0.00 113 G 8.27 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.00 4.81 0.00 3.18 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.30 5.04 0.00 2.80 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 0.00 116 L 8.00 4.44 0.00 1.96 1.72 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.31 3.82 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 0.00 0.00 0.00