NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.6885 7.9332 117.1372 63.6656 70.8220 171.8743 2 I 4.6768 8.4738 123.0501 59.5384 40.6179 170.2968 3 V 4.5705 8.8616 118.5367 59.8472 36.7777 173.5415 4 I 4.7330 8.1148 119.6361 60.1014 40.5565 174.2483 5 D 4.8465 9.3084 127.7222 56.0073 42.2733 175.7507 6 H 4.8354 7.5548 109.8472 54.1030 31.2846 172.4595 7 E 4.1946 8.6053 119.9842 56.6450 29.6958 177.7848 8 E 4.6495 8.3470 123.8091 55.4491 30.4845 175.5617 9 C 4.5302 8.0541 117.3976 57.8720 30.0693 174.7153 10 I 4.3994 6.7650 120.8327 60.1022 35.1101 174.8090 11 G 3.9089 7.9384 114.0954 45.8852 0.0000 171.3013 12 C 4.3254 7.6815 113.5926 59.5758 30.4461 173.6311 13 E 3.5120 8.3148 116.8562 58.8190 29.4047 175.3366 14 S 3.8874 9.0429 110.8358 63.0122 62.9202 175.4389 15 C 4.1765 7.9028 120.7648 59.0999 30.7241 175.7612 16 V 2.9604 7.3328 121.2191 65.6678 31.0981 177.1249 17 E 4.0055 7.7905 117.1634 58.2651 29.6191 177.6549 18 L 4.2971 7.2461 116.5095 55.1540 43.4440 176.4928 19 C 4.8492 7.7349 116.6515 57.6869 28.2656 172.9784 20 P 4.7368 0.0000 0.0000 64.0320 32.2247 176.9071 21 E 4.8471 7.8663 118.6786 56.3184 31.0287 176.0580 22 V 4.3636 8.3371 117.5414 64.5203 34.7759 175.5453 23 F 5.2510 8.9814 118.3326 56.3295 41.7500 174.1568 24 A 4.9165 9.0238 120.2132 50.1390 22.6939 176.3107 25 M 4.5749 8.1754 119.8920 54.8253 31.7643 178.7275 26 I 3.9690 7.8680 121.4354 60.0763 37.4374 172.1341 27 D 5.2051 8.3447 125.6481 52.3667 42.1082 176.3933 28 G 4.0358 9.2134 117.7236 46.0476 0.0000 174.2234 29 E 4.5400 8.7920 116.1940 55.9884 28.1537 175.7248 30 E 4.8714 8.2422 113.4927 55.5544 31.8213 174.6039 31 K 4.6903 7.7750 119.9171 55.1992 35.3493 174.2783 32 A 5.1026 8.2774 127.8821 50.0874 21.5692 175.7923 33 M 4.0280 9.0137 121.9104 55.8535 33.4073 175.5665 34 V 4.0410 8.1088 126.7958 61.6244 31.0382 175.0975 35 T 3.9980 8.6838 124.6512 65.9968 68.7337 174.5070 36 A 4.6269 8.7662 125.0885 48.4716 19.9165 174.7549 37 P 4.8072 0.0000 0.0000 63.0243 31.5664 177.3981 38 D 4.4786 7.8070 118.4847 56.8756 43.7079 176.9053 39 S 4.3106 7.4326 114.1092 58.7513 63.5643 176.1334 40 T 4.1419 8.3314 124.7617 63.1419 66.9974 175.7465 41 A 4.2470 7.6711 125.5386 51.6479 18.8969 178.6714 42 E 4.3186 8.7218 122.7945 59.1714 29.5247 178.9051 43 C 4.0379 8.1269 116.8256 62.4580 27.6543 175.1051 44 A 4.2002 8.4787 121.9226 53.8923 18.0974 178.9578 45 Q 4.0927 7.8299 117.0706 58.4244 29.5287 176.9100 46 D 4.4177 8.3279 119.3092 57.3497 41.3349 177.8595 47 A 3.9932 8.1336 121.4042 55.4783 18.3749 179.3748 48 I 3.9706 7.5022 117.0195 63.8476 36.9054 177.0206 49 D 5.1148 8.3077 118.0607 54.0474 41.8312 176.4482 50 A 4.4228 8.1472 123.2275 53.1014 20.9026 177.3732 51 C 4.5485 8.4170 116.2123 57.9190 27.6167 171.5437 52 P 4.8384 0.0000 0.0000 62.8565 31.1033 177.1130 53 V 4.3235 7.6327 109.9915 61.3396 32.0151 175.4317 54 E 3.8828 7.9824 116.4221 57.6093 27.3097 176.0357 55 A 4.0390 8.0713 121.9415 54.2493 19.8415 178.5713 56 I 4.7004 7.6949 114.6125 59.7878 39.5080 175.6006 57 S 4.8578 9.1599 121.3428 56.8864 67.5683 172.8800 58 K 4.9150 8.2149 119.8352 53.6241 35.2335 176.4001 59 E 4.6364 8.3941 120.4919 57.4640 29.8599 175.9907 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 1 T 7.93 4.69 4.22 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 1.23 0.00 0.00 2 I 8.47 4.68 1.77 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.79 0.00 0.00 3 V 8.86 4.57 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 0.65 0.00 0.00 0.92 0.00 0.00 4 I 8.11 4.73 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.87 0.00 0.00 5 D 9.31 4.85 0.00 2.72 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 6 H 7.55 4.84 0.00 3.21 3.23 0.00 5.78 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 7 E 8.61 4.19 0.00 2.02 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 0.00 2.32 2.31 0.00 8 E 8.35 4.65 0.00 1.95 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 2.20 2.31 0.00 9 C 8.05 4.53 0.00 3.01 2.85 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 10 I 6.77 4.40 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 1.31 1.77 0.92 0.00 0.00 11 G 7.94 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 0.00 0.00 0.00 12 C 7.68 4.33 0.00 3.12 3.24 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 13 E 8.31 3.51 0.00 2.09 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 2.29 2.27 0.00 14 S 9.04 3.89 0.00 4.00 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 15 C 7.90 4.18 0.00 3.01 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 16 V 7.33 2.96 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 1.12 0.00 0.00 1.01 0.00 0.00 17 E 7.79 4.01 0.00 2.08 1.95 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 2.29 2.32 0.00 18 L 7.25 4.30 0.00 1.66 1.60 0.86 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.73 4.85 0.00 2.54 2.83 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 20 P 0.00 4.74 0.00 2.17 2.32 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 21 E 7.87 4.85 0.00 1.93 1.95 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 2.21 2.21 0.00 22 V 8.34 4.36 2.38 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 1.02 0.00 0.00 0.98 0.00 0.00 23 F 8.98 5.25 0.00 2.86 3.04 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 0.00 0.00 0.00 0.00 24 A 9.02 4.92 1.22 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 0.00 0.00 25 M 8.18 4.57 0.00 2.00 2.04 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 2.57 2.54 0.00 26 I 7.87 3.97 1.89 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 1.19 1.02 0.93 0.00 0.00 27 D 8.34 5.21 0.00 2.81 2.54 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 28 G 9.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.79 4.54 0.00 2.18 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 0.00 2.44 2.40 0.00 30 E 8.24 4.87 0.00 2.11 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 2.19 2.42 0.00 31 K 7.77 4.69 0.00 1.88 1.62 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 32 A 8.28 5.10 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 33 M 9.01 4.03 0.00 2.08 1.96 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 2.57 2.56 0.00 34 V 8.11 4.04 1.75 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 0.36 0.00 0.00 -0.02 0.00 0.00 35 T 8.68 4.00 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 36 A 8.77 4.63 1.21 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 0.00 0.00 0.00 37 P 0.00 4.81 0.00 2.32 2.12 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 38 D 7.81 4.48 0.00 2.67 2.66 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 39 S 7.43 4.31 0.00 3.76 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 40 T 8.33 4.14 4.25 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 1.22 0.00 0.00 41 A 7.67 4.25 1.30 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 42 E 8.72 4.32 0.00 1.99 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 2.52 2.34 0.00 43 C 8.13 4.04 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 4.20 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.83 4.09 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 46 D 8.33 4.42 0.00 2.73 2.78 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 47 A 8.13 3.99 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 48 I 7.50 3.97 2.14 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 1.63 1.25 0.92 0.00 0.00 49 D 8.31 5.11 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.15 4.42 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.42 4.55 0.00 2.95 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 52 P 0.00 4.84 0.00 2.18 2.13 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 53 V 7.63 4.32 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 0.76 0.00 0.00 1.02 0.00 0.00 54 E 7.98 3.88 0.00 2.16 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 0.00 2.25 2.25 0.00 55 A 8.07 4.04 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 56 I 7.69 4.70 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.93 0.00 0.00 57 S 9.16 4.86 0.00 3.67 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 58 K 8.21 4.91 0.00 1.63 1.74 0.00 1.91 0.00 0.00 2.31 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.28 7.81 59 E 8.39 4.64 0.00 1.91 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 2.03 2.08 0.00