NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 G 3.9276 8.3393 109.7396 45.2329 0.0000 173.6881 18 S 4.2704 8.3958 120.8178 56.3284 63.9991 171.4428 19 H 4.7721 8.5941 115.7316 54.6380 31.5105 174.6719 20 M 4.2362 8.4193 120.1974 55.0270 32.4262 176.8540 21 S 4.3657 8.5167 118.5798 59.1357 63.5946 175.3672 22 T 4.4162 8.6738 116.2857 60.5879 71.2192 176.0194 23 I 3.9203 8.2791 121.4907 64.7433 37.0721 178.1651 24 E 3.9836 8.2123 119.3240 59.5263 29.5497 178.5373 25 E 4.0372 8.2638 118.5165 59.4302 29.3594 179.6803 26 R 3.9658 8.3538 118.3136 59.1100 30.1516 179.1275 27 V 3.8288 8.2085 118.1028 66.2619 31.5105 178.3422 28 K 4.1198 8.3872 118.1989 59.0458 31.8634 179.3051 29 K 3.9357 8.1900 120.1999 59.5552 32.0961 178.9732 30 I 3.7482 7.6639 119.7822 64.4578 37.0810 178.4043 31 I 3.9126 7.9454 120.8520 64.4739 36.9393 178.7909 32 G 3.6625 8.4353 106.7081 47.2124 0.0000 175.7191 33 E 4.0366 8.0946 120.1501 59.0207 29.5251 178.9463 34 Q 4.1185 8.1711 118.9533 58.6033 29.3548 177.1936 35 L 4.5610 7.8963 116.4672 53.4610 42.4764 176.3511 36 G 3.8227 8.2052 106.3849 47.0900 0.0000 173.5541 37 V 4.5411 7.5661 110.9994 58.5086 35.7329 175.4115 38 K 4.2451 8.2755 120.3240 55.9664 32.5242 178.4395 39 Q 4.0548 8.7864 124.5912 59.1802 29.1382 177.5414 40 E 4.1548 8.1730 116.2068 58.4911 29.7326 177.0403 41 E 4.5602 7.9461 117.1182 55.8959 29.8227 175.3437 42 V 4.2421 7.7436 119.1180 61.2834 33.0318 175.0965 43 T 4.6144 7.9887 116.7178 59.8016 71.0745 175.3637 44 N 4.3198 8.5397 120.0392 55.9212 38.7706 176.5827 45 N 4.5341 7.9311 112.9041 53.0050 38.4626 175.2287 46 A 4.0929 7.4805 124.2084 52.2239 19.1417 176.3051 47 S 4.8739 8.8520 117.3539 56.8090 63.7919 175.0501 48 F 4.1108 8.5595 126.6046 60.8936 39.2574 177.9967 49 V 3.6246 8.0109 119.6273 66.1660 31.6772 177.7093 50 E 4.0959 8.0794 117.4379 59.6400 29.8508 178.2104 51 D 4.4615 8.0654 117.0021 57.2740 41.1084 177.8853 52 L 4.1970 8.1580 117.0588 54.8772 42.0671 177.0943 53 G 3.7786 8.2194 105.7114 45.6618 0.0000 173.3685 54 A 4.3223 8.2637 123.4038 51.4745 19.3982 179.1243 55 D 4.8412 8.7694 124.0052 52.2116 42.9739 177.2114 56 S 4.4333 8.4544 113.2075 59.7991 63.3838 174.2985 57 L 4.4567 7.8842 123.9266 56.7927 43.1986 177.3333 58 D 4.3926 9.5598 120.2527 57.8315 40.9182 179.1268 59 T 3.7361 7.7274 109.5003 64.6597 68.7502 176.7151 60 V 3.5054 7.6164 120.5143 65.9306 31.7582 177.8250 61 E 4.0163 8.3319 118.2843 59.0081 29.1451 179.3388 62 L 3.9178 8.1459 119.6721 57.8369 41.6644 179.5558 63 V 3.4942 7.4367 117.4916 66.3228 31.4130 177.9459 64 M 4.0343 7.9215 117.6096 58.3756 31.7969 178.6439 65 A 4.0207 8.0673 120.8952 55.1408 18.5781 179.7462 66 L 4.1794 8.2207 117.6505 57.9659 41.7430 179.4693 67 E 4.1622 8.6664 119.0811 59.2987 29.2023 179.1277 68 E 3.9150 8.3013 119.4592 59.2712 29.5611 178.5054 69 E 3.8241 8.1923 118.6376 58.4166 29.7672 177.2061 70 F 4.6648 8.0115 114.5740 56.1388 39.7539 175.1953 71 D 4.3334 7.5874 117.7717 55.4851 39.6615 171.8568 72 T 4.8292 8.0269 111.7137 60.5117 71.3968 172.2342 73 E 4.7930 8.6572 122.5312 54.4313 32.8032 175.0418 74 I 4.6090 8.4607 123.3466 57.2333 39.9207 174.0951 75 P 4.4273 0.0000 0.0000 62.5896 33.1927 176.9225 76 D 4.3546 8.6947 120.2547 57.6500 40.4903 178.9875 77 E 3.9290 8.0164 118.5243 59.3248 30.0177 178.3009 78 E 4.0807 8.0885 117.9676 59.2727 29.1314 178.9169 79 A 3.8698 7.8779 120.7997 55.1080 18.1150 179.5579 80 E 3.9613 7.7633 116.1747 59.3782 29.5681 179.2842 81 K 4.4026 7.7806 117.5659 57.7821 32.6400 177.4643 82 I 4.1056 7.0575 119.1992 60.8492 35.8197 175.1387 83 T 4.5323 8.3645 115.7950 61.6376 70.3607 174.6667 84 T 4.9543 7.5096 111.8686 59.0790 73.1474 174.8168 85 V 3.5822 7.7876 120.6399 66.0945 31.4633 177.8658 86 Q 3.9408 8.4962 119.5550 59.1258 28.8984 178.0247 87 A 4.0371 7.7343 120.1436 55.1575 18.5061 179.4067 88 A 3.9909 7.9427 119.0529 55.5138 18.5452 179.9053 89 I 3.5948 7.9149 118.2489 64.6724 36.9368 178.4419 90 D 4.3646 8.4440 119.0375 57.4534 40.7693 177.9207 91 Y 4.0622 8.2180 120.0740 60.5378 38.5675 177.9821 92 I 3.6263 7.4099 119.3681 64.4639 37.3364 176.3755 93 N 4.5800 7.8869 119.9483 53.5349 38.5078 174.8644 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 17 G 8.34 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 0.00 0.00 0.00 18 S 8.40 4.27 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.59 4.77 0.00 3.25 3.27 0.00 5.53 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.42 4.24 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 21 S 8.52 4.37 0.00 3.86 3.84 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 0.00 0.00 0.00 22 T 8.67 4.42 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 1.26 0.00 0.00 23 I 8.28 3.92 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.10 0.81 0.00 0.00 24 E 8.21 3.98 0.00 2.06 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 2.41 2.44 0.00 25 E 8.26 4.04 0.00 2.36 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 0.00 2.38 2.41 0.00 26 R 8.35 3.97 0.00 2.29 1.93 0.00 3.14 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 27 V 8.21 3.83 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 1.17 0.00 0.00 1.08 0.00 0.00 28 K 8.39 4.12 0.00 1.89 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.64 7.81 29 K 8.19 3.94 0.00 1.97 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 30 I 7.66 3.75 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.95 0.00 0.00 31 I 7.95 3.91 2.09 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 1.79 1.29 1.02 0.00 0.00 32 G 8.44 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.09 4.04 0.00 2.12 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 0.00 2.35 2.48 0.00 34 Q 8.17 4.12 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 35 L 7.90 4.56 0.00 1.79 1.72 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.21 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 37 V 7.57 4.54 2.09 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 0.99 0.00 0.00 0.95 0.00 0.00 38 K 8.28 4.25 0.00 1.82 1.92 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 39 Q 8.79 4.05 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.12 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 40 E 8.17 4.15 0.00 1.98 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 2.32 2.40 0.00 41 E 7.95 4.56 0.00 1.96 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 2.26 2.22 0.00 42 V 7.74 4.24 2.09 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 0.81 0.00 0.00 1.01 0.00 0.00 43 T 7.99 4.61 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 44 N 8.54 4.32 0.00 2.83 3.02 0.00 0.00 6.59 6.92 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 45 N 7.93 4.53 0.00 2.79 2.90 0.00 0.00 5.99 7.26 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 46 A 7.48 4.09 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 0.00 0.00 0.00 0.00 0.00 47 S 8.85 4.87 0.00 3.83 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 48 F 8.56 4.11 0.00 3.21 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 49 V 8.01 3.62 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 50 E 8.08 4.10 0.00 2.00 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 2.32 2.34 0.00 51 D 8.07 4.46 0.00 2.86 2.67 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 52 L 8.16 4.20 0.00 1.75 1.76 0.70 0.85 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 53 G 8.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.32 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.77 4.84 0.00 2.98 2.86 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 56 S 8.45 4.43 0.00 4.04 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 57 L 7.88 4.46 0.00 1.74 1.80 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.56 4.39 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 3.74 4.14 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 1.25 0.00 0.00 60 V 7.62 3.51 2.18 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 1.03 0.00 0.00 0.96 0.00 0.00 61 E 8.33 4.02 0.00 2.16 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 0.00 2.31 2.49 0.00 62 L 8.15 3.92 0.00 1.70 1.50 0.77 0.78 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 63 V 7.44 3.49 2.15 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 1.07 0.00 0.00 0.82 0.00 0.00 64 M 7.92 4.03 0.00 2.12 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 2.82 2.54 0.00 65 A 8.07 4.02 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 66 L 8.22 4.18 0.00 1.76 1.91 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.67 4.16 0.00 2.21 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 0.00 2.49 2.45 0.00 68 E 8.30 3.91 0.00 2.15 2.09 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 2.27 2.30 0.00 69 E 8.19 3.82 0.00 1.79 1.72 0.00 0.00 0.00 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 1.47 0.00 70 F 8.01 4.66 0.00 3.24 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 71 D 7.59 4.33 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 4.83 4.35 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 0.00 0.00 0.00 1.38 0.00 0.00 73 E 8.66 4.79 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 2.22 2.30 0.00 74 I 8.46 4.61 1.53 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.31 0.80 0.00 0.00 75 P 0.00 4.43 0.00 2.38 1.97 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 76 D 8.69 4.35 0.00 2.74 2.71 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 77 E 8.02 3.93 0.00 1.95 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 2.29 2.40 0.00 78 E 8.09 4.08 0.00 2.16 1.78 0.00 0.00 0.00 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 2.50 0.00 79 A 7.88 3.87 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.76 3.96 0.00 2.07 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 2.32 2.54 0.00 81 K 7.78 4.40 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.64 7.81 82 I 7.06 4.11 1.90 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 1.33 0.57 0.98 0.00 0.00 83 T 8.36 4.53 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 1.24 0.00 0.00 84 T 7.51 4.95 4.17 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 1.23 0.00 0.00 85 V 7.79 3.58 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 0.99 0.00 0.00 0.50 0.00 0.00 86 Q 8.50 3.94 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 87 A 7.73 4.04 1.45 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 88 A 7.94 3.99 1.50 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 0.00 0.00 89 I 7.91 3.59 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 0.89 0.00 0.00 90 D 8.44 4.36 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 4.06 0.00 3.18 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 92 I 7.41 3.63 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.13 0.30 0.00 0.00 93 N 7.89 4.58 0.00 2.65 2.69 0.00 0.00 6.99 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