NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.3772 8.1927 115.2924 58.3294 64.2574 175.0387 17 R 3.8142 8.1608 118.0715 57.1840 28.7153 174.5119 18 H 4.5848 8.7736 117.7880 58.1796 31.5850 176.2253 19 E 4.2257 8.7500 118.6753 58.3866 29.5845 177.4004 20 K 4.5903 7.2017 116.7696 55.9350 32.6659 176.8228 21 S 4.7203 7.5627 113.6744 56.5111 66.2968 173.2724 22 L 3.9883 8.5896 126.4576 58.6334 41.7329 179.4877 23 G 3.7147 8.1126 104.7615 47.8759 0.0000 175.4486 24 L 3.9621 7.7991 121.1211 57.6804 41.6515 179.2690 25 L 4.0085 7.8831 118.8627 58.3763 41.4738 179.7218 26 T 3.8669 8.4505 115.5729 67.1440 68.4906 176.3377 27 T 3.9143 7.9255 117.3368 66.8943 68.5014 176.6894 28 K 3.9481 8.0099 119.6185 59.4833 32.1637 178.9514 29 F 3.8739 8.4874 121.2213 61.3672 39.1965 177.3495 30 V 3.5799 8.3551 117.9294 66.1716 31.4249 178.1025 31 S 4.2490 7.9602 116.1076 60.8635 62.6839 176.2707 32 L 3.8078 8.3235 123.2197 58.8492 41.5250 178.0173 33 L 3.6896 7.8809 118.7539 58.2839 41.8274 178.3067 34 Q 3.8358 8.8002 118.6223 59.2268 28.2187 178.6101 35 E 4.1315 7.9128 120.7944 57.6993 29.6089 175.8490 36 A 3.8238 7.7735 127.7130 52.2021 18.2480 177.4890 37 K 4.3170 8.1615 124.3630 57.3484 33.8870 175.6129 38 D 4.8460 8.6183 120.7794 55.5757 38.7862 175.7932 39 G 4.1493 7.2646 100.8805 44.9432 0.0000 172.7174 40 V 4.7734 7.1093 119.8709 61.2316 33.0557 174.8387 41 L 4.7444 8.8008 128.9604 53.2294 45.7718 174.4666 42 D 5.1779 8.4474 125.0633 52.7987 42.0222 176.8114 43 L 4.1009 9.0607 128.2307 57.7155 41.5128 179.8641 44 K 4.0168 7.7509 118.5091 59.1523 32.0031 178.7732 45 L 3.9506 8.1259 120.4861 57.9554 41.9743 178.4887 46 A 3.8721 8.0198 119.7863 55.3340 18.3446 178.9104 47 A 4.1200 7.6416 119.1024 56.1371 18.1505 179.3515 48 D 4.3026 7.5857 114.2846 57.4248 41.0517 178.6293 49 T 3.9461 7.8490 116.8399 65.9509 70.0378 175.0250 50 L 4.3312 8.7356 123.6669 53.6251 40.5243 178.0927 51 A 3.7290 8.0855 120.8421 52.5735 16.8186 178.8826 52 V 3.9802 7.7331 113.5493 60.6942 29.6731 182.0598 53 R 4.2160 8.1994 120.5238 58.6874 29.8266 177.8245 54 Q 4.7010 7.5015 115.3711 54.6914 32.0862 173.9826 55 K 3.8926 8.9938 124.6930 60.4626 32.7835 179.0506 56 R 4.0109 8.0274 118.2854 59.4461 30.8399 177.9259 57 R 4.3021 7.9345 118.0196 58.7815 29.9225 178.9129 58 I 3.5665 8.0863 119.6090 64.7400 37.0013 178.0899 59 Y 4.3766 7.3583 118.0168 60.3016 37.5291 178.3422 60 D 4.3727 8.1177 120.2669 57.3585 40.9088 178.7957 61 I 3.5666 7.3844 119.8833 64.5092 37.0917 178.1995 62 T 3.7569 7.6855 110.5732 65.1596 68.3753 175.7990 63 N 4.7369 8.7819 121.0827 55.4426 38.4274 177.6611 64 V 3.7378 7.4242 119.8537 64.5488 31.7554 178.5195 65 L 4.0501 7.9101 119.5594 57.4620 41.2519 179.3039 66 E 4.0965 8.5401 119.1613 59.1805 29.2350 179.4067 67 G 3.6501 7.9904 104.9000 47.7219 0.0000 175.3594 68 I 4.0507 7.4438 121.0355 61.9337 37.2538 177.1655 69 G 3.8670 7.6514 106.5844 45.3443 0.0000 173.7395 70 L 3.9614 7.8159 118.2623 54.9202 42.6766 175.7107 71 I 4.6876 7.0214 118.1028 60.6131 41.3621 172.5252 72 E 4.8124 8.4438 119.1459 55.1557 32.9269 175.2665 73 K 4.4110 8.7426 121.4983 56.5282 32.7725 176.8143 74 K 4.3531 8.1968 124.4831 57.7098 33.7123 176.5375 75 S 4.6165 7.8940 110.7640 57.2680 66.3032 175.1685 76 K 4.0975 8.6748 121.4927 58.3219 32.7903 175.7631 77 N 4.3551 9.3213 117.6141 53.8543 36.5094 173.0530 78 S 5.3153 8.4991 112.7763 56.9349 66.4028 172.8810 79 I 5.1905 8.8723 118.3929 59.4652 41.4932 173.2612 80 Q 5.1599 9.0186 125.5746 53.9228 31.1548 174.4861 81 W 4.3955 9.2258 135.0000 58.1434 31.4634 175.8166 82 K 3.4462 7.8728 127.6572 56.6696 33.0647 174.8625 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 16 S 8.19 4.38 0.00 3.88 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 17 R 8.16 3.81 0.00 1.90 1.96 0.00 3.28 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 18 H 8.77 4.58 0.00 3.27 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.75 4.23 0.00 1.97 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 0.00 2.62 2.44 0.00 20 K 7.20 4.59 0.00 1.69 1.79 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 21 S 7.56 4.72 0.00 3.96 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 22 L 8.59 3.99 0.00 1.71 1.71 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.11 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.80 3.96 0.00 1.88 1.72 0.90 0.75 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 25 L 7.88 4.01 0.00 1.92 1.77 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.45 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 27 T 7.93 3.91 4.39 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 1.22 0.00 0.00 28 K 8.01 3.95 0.00 2.04 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 29 F 8.49 3.87 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.36 3.58 2.24 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 0.75 0.00 0.00 0.98 0.00 0.00 31 S 7.96 4.25 0.00 4.00 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 32 L 8.32 3.81 0.00 1.72 1.46 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.88 3.69 0.00 1.56 1.65 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.80 3.84 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 35 E 7.91 4.13 0.00 2.02 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 2.27 2.31 0.00 36 A 7.77 3.82 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 37 K 8.16 4.32 0.00 1.78 1.72 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.44 7.81 38 D 8.62 4.85 0.00 2.89 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 39 G 7.26 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 0.00 0.00 0.00 0.00 40 V 7.11 4.77 2.10 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 0.77 0.00 0.00 1.02 0.00 0.00 41 L 8.80 4.74 0.00 1.71 1.40 0.37 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.45 5.18 0.00 2.82 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 4.10 0.00 1.71 1.71 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.75 4.02 0.00 2.14 1.85 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.60 7.81 45 L 8.13 3.95 0.00 1.73 1.75 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.02 3.87 1.20 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 0.00 0.00 47 A 7.64 4.12 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 48 D 7.59 4.30 0.00 2.80 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 49 T 7.85 3.95 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 1.17 0.00 0.00 50 L 8.74 4.33 0.00 1.73 1.65 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.09 3.73 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 52 V 7.73 3.98 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 1.03 0.00 0.00 0.93 0.00 0.00 53 R 8.20 4.22 0.00 1.82 1.89 0.00 3.26 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 54 Q 7.50 4.70 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 55 K 8.99 3.89 0.00 1.84 2.03 0.00 1.80 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.49 7.81 56 R 8.03 4.01 0.00 1.97 1.96 0.00 3.40 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 57 R 7.93 4.30 0.00 1.98 1.97 0.00 3.37 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 58 I 8.09 3.57 1.46 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.76 0.00 0.00 59 Y 7.36 4.38 0.00 3.23 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 60 D 8.12 4.37 0.00 2.89 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 61 I 7.38 3.57 1.38 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 0.26 0.00 0.00 62 T 7.69 3.76 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 1.15 0.00 0.00 63 N 8.78 4.74 0.00 2.74 2.92 0.00 0.00 6.37 7.67 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 64 V 7.42 3.74 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 0.95 0.00 0.00 0.92 0.00 0.00 65 L 7.91 4.05 0.00 1.74 1.82 1.03 1.04 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 66 E 8.54 4.10 0.00 2.14 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 0.00 2.34 2.48 0.00 67 G 7.99 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.44 4.05 1.99 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 1.68 0.86 0.89 0.00 0.00 69 G 7.65 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 0.00 0.00 0.00 70 L 7.82 3.96 0.00 1.50 1.06 1.10 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.02 4.69 1.90 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.75 0.96 0.00 0.00 72 E 8.44 4.81 0.00 1.99 1.94 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 2.33 2.25 0.00 73 K 8.74 4.41 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.45 7.81 74 K 8.20 4.35 0.00 1.76 1.83 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.40 7.81 75 S 7.89 4.62 0.00 3.88 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 76 K 8.67 4.10 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.55 7.81 77 N 9.32 4.36 0.00 3.01 2.97 0.00 0.00 6.53 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 78 S 8.50 5.32 0.00 3.83 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 79 I 8.87 5.19 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 1.00 0.00 0.00 80 Q 9.02 5.16 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 81 W 9.23 4.40 0.00 3.43 3.01 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 82 K 7.87 3.45 0.00 0.79 1.42 0.00 1.17 0.00 0.00 1.29 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.16 1.16 7.81