NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 R 4.3899 8.1127 119.7137 55.4388 31.4805 175.8967 41 W 4.1906 8.8667 129.2267 59.7746 30.8396 175.5135 42 N 4.2486 8.6110 116.7667 55.6317 39.4546 175.8661 43 A 4.0496 7.8085 119.6674 54.9405 18.6496 177.6255 44 V 3.9200 7.6681 116.7963 63.0420 31.3836 177.0211 45 L 4.0666 7.6248 120.6013 55.9201 42.6493 177.8492 46 K 3.8332 7.9313 118.7294 60.0466 32.2263 177.4756 47 L 3.8982 7.2978 116.8107 57.4721 41.6243 176.9646 48 Q 4.0471 7.8782 119.5357 55.6486 28.3936 175.2653 49 T 3.9102 8.7146 116.7585 64.6197 68.4971 174.5021 50 L 4.2011 7.6921 123.5287 52.4361 41.4997 174.9614 51 P 4.6066 0.0000 0.0000 61.9417 31.6527 178.2384 52 R 4.3812 8.0318 120.7150 55.8478 29.4595 178.9042 53 D 4.5718 8.7204 121.0906 58.0701 41.5873 177.4975 54 S 4.2869 7.1794 113.6146 57.8336 63.5105 174.0359 55 S 4.3531 8.3785 117.7341 57.4721 63.4077 173.3299 56 P 4.4589 0.0000 0.0000 65.5934 31.0452 178.7095 57 S 4.2963 7.4020 112.6537 60.2812 62.9017 175.4282 58 R 3.9434 8.3426 121.4987 58.8092 29.9569 176.9921 59 Q 4.0671 7.5925 116.0718 56.8172 30.1436 174.9210 60 R 4.2988 8.5515 121.9604 56.2257 27.8405 176.4090 61 N 4.6076 8.0977 121.5941 51.6856 44.3470 169.9418 62 R 3.8219 7.5652 125.1165 55.3895 30.9443 176.3153 63 C 4.5947 7.8535 121.5500 59.0472 32.3260 173.9682 64 R 4.1399 8.4251 122.9686 58.2787 30.4196 177.5547 65 Q 4.1077 8.0639 117.8071 58.7514 29.5024 176.2161 66 T 4.1640 7.9749 110.4922 62.1249 68.1320 175.2227 67 G 4.2748 8.2944 107.6966 46.0204 0.0000 172.7697 68 R 4.2832 7.4937 121.6439 54.2672 30.1003 175.2148 69 P 3.9804 0.0000 0.0000 64.5692 32.0145 176.5618 70 H 3.7719 8.1907 117.3150 57.8253 29.6183 174.5908 71 G 4.3272 8.7498 111.8553 44.8137 0.0000 172.1635 72 F 5.7115 9.0719 121.9890 54.6846 41.3501 175.2650 73 L 4.1776 8.6528 119.2680 53.6066 42.8990 177.8003 74 R 4.3434 7.8340 123.6442 59.0577 30.6267 177.9008 75 K 3.8087 8.0585 115.6261 59.3288 31.7683 177.8897 76 F 4.6729 8.0290 115.2009 56.9118 39.9330 177.6049 77 G 4.2700 9.3531 109.5151 45.7596 0.0000 172.9534 78 L 4.8239 7.3039 119.1838 52.7226 44.0947 176.4964 79 S 4.9835 8.2721 116.9821 58.0688 63.8885 175.5904 80 R 3.9329 8.8397 122.7375 59.0895 29.2865 177.8844 81 I 4.1189 7.7613 111.4276 62.0951 38.0540 177.3190 82 K 4.3978 7.6783 119.8044 58.4689 32.7064 178.8471 83 V 3.5199 8.0265 112.7232 63.9576 31.2776 178.9367 84 R 3.9318 7.4092 115.3142 59.2807 29.6259 178.7451 85 E 3.9315 7.6618 118.4004 59.2485 29.3139 179.1587 86 A 4.0930 8.3732 120.6664 54.2104 18.5893 179.6787 87 A 3.9204 7.5520 120.1212 55.4921 18.3477 179.6148 88 M 3.9878 7.8937 114.2823 58.8070 31.2353 178.7452 89 R 4.0534 7.4644 117.1869 56.9303 30.2248 178.0084 90 G 3.9491 7.9853 106.3869 45.0948 0.0000 174.9059 91 E 3.8598 7.5398 116.5820 58.2632 29.7105 177.0893 92 I 4.0580 6.8605 121.3162 58.9410 37.0579 173.8343 93 P 4.3042 0.0000 0.0000 63.6860 31.8368 177.8644 94 G 4.0231 8.8252 109.0174 45.6645 0.0000 173.4348 95 L 4.3468 7.2998 121.5511 54.2299 42.8239 175.7682 96 K 4.5262 8.1058 125.0891 54.2526 35.3473 175.3401 97 K 3.9821 8.5227 126.2058 55.7314 32.4302 176.5495 98 A 4.0105 8.4898 129.9091 52.3955 19.1869 176.6501 99 S 4.0205 7.9677 117.4836 56.5252 64.7678 173.9628 100 W 4.7376 7.4527 115.9061 57.2437 27.6072 174.1601 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 40 R 8.11 4.39 0.00 1.93 2.01 0.00 3.14 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 41 W 8.87 4.19 0.00 3.27 3.33 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 42 N 8.61 4.25 0.00 2.72 2.79 0.00 0.00 6.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.81 4.05 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 44 V 7.67 3.92 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 0.89 0.00 0.00 1.00 0.00 0.00 45 L 7.62 4.07 0.00 1.84 1.53 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.93 3.83 0.00 1.68 1.77 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.33 7.81 47 L 7.30 3.90 0.00 1.64 1.72 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.88 4.05 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 49 T 8.71 3.91 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 50 L 7.69 4.20 0.00 1.62 1.65 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.61 0.00 2.15 2.05 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 52 R 8.03 4.38 0.00 1.84 1.74 0.00 3.25 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 53 D 8.72 4.57 0.00 2.60 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 54 S 7.18 4.29 0.00 3.89 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 55 S 8.38 4.35 0.00 3.99 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 56 P 0.00 4.46 0.00 2.19 2.16 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 57 S 7.40 4.30 0.00 3.94 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 58 R 8.34 3.94 0.00 1.78 1.96 0.00 3.25 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 59 Q 7.59 4.07 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.62 0.00 0.00 0.00 0.00 0.00 2.66 2.33 0.00 60 R 8.55 4.30 0.00 1.71 1.17 0.00 3.12 0.00 0.00 3.18 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 61 N 8.10 4.61 0.00 1.73 1.96 0.00 0.00 6.85 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 62 R 7.57 3.82 0.00 1.90 1.94 0.00 3.34 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 63 C 7.85 4.59 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 64 R 8.43 4.14 0.00 1.83 1.97 0.00 3.36 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 65 Q 8.06 4.11 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 66 T 7.97 4.16 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 1.26 0.00 0.00 67 G 8.29 4.27 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 0.00 68 R 7.49 4.28 0.00 2.08 1.88 0.00 3.11 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 69 P 0.00 3.98 0.00 2.18 2.10 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 70 H 8.19 3.77 0.00 3.18 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.75 4.33 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 0.00 72 F 9.07 5.71 0.00 3.12 3.03 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 0.00 73 L 8.65 4.18 0.00 1.71 1.71 0.88 1.07 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 74 R 7.83 4.34 0.00 1.77 2.00 0.00 3.35 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.40 0.00 75 K 8.06 3.81 0.00 1.18 1.31 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.32 7.81 76 F 8.03 4.67 0.00 3.13 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 77 G 9.35 4.27 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 0.00 78 L 7.30 4.82 0.00 1.63 1.61 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.27 4.98 0.00 3.92 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 80 R 8.84 3.93 0.00 1.91 1.95 0.00 3.10 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 81 I 7.76 4.12 1.88 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 1.65 0.58 0.91 0.00 0.00 82 K 7.68 4.40 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.48 7.81 83 V 8.03 3.52 2.03 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 1.05 0.00 0.00 1.02 0.00 0.00 84 R 7.41 3.93 0.00 1.80 1.96 0.00 3.30 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 85 E 7.66 3.93 0.00 2.13 1.99 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 2.32 2.50 0.00 86 A 8.37 4.09 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 87 A 7.55 3.92 1.36 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 88 M 7.89 3.99 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 89 R 7.46 4.05 0.00 1.81 2.01 0.00 3.24 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 90 G 7.99 3.95 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 0.00 0.00 0.00 91 E 7.54 3.86 0.00 2.11 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 2.41 2.21 0.00 92 I 6.86 4.06 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.49 0.45 0.00 0.00 93 P 0.00 4.30 0.00 2.24 2.19 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 94 G 8.83 4.02 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 0.00 0.00 0.00 95 L 7.30 4.35 0.00 1.53 1.69 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.11 4.53 0.00 1.67 1.57 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.37 7.81 97 K 8.52 3.98 0.00 1.69 1.62 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.56 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.37 7.81 98 A 8.49 4.01 1.24 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 0.00 0.00 0.00 99 S 7.97 4.02 0.00 3.45 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.45 4.74 0.00 3.37 3.19 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 0.00