NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 P 4.3331 0.0000 0.0000 61.6156 31.8580 176.0421 16 P 4.2213 0.0000 0.0000 61.0102 31.7739 173.6769 17 P 4.2397 0.0000 0.0000 61.8486 32.6596 176.2690 18 P 4.1169 0.0000 0.0000 62.2606 32.0748 175.6500 19 P 4.0574 0.0000 0.0000 65.7444 31.1678 178.4362 20 Y 4.3455 7.0617 114.9503 60.7604 37.6424 178.6681 21 V 3.6614 7.5515 119.5788 65.7573 31.2899 177.4247 22 K 3.6185 7.5260 118.6614 59.6150 31.8992 177.6459 23 F 4.6532 7.5642 114.6738 57.7214 40.2733 176.0201 24 F 4.4933 8.3788 120.6112 56.6800 38.1227 176.1442 25 T 4.4532 7.3063 112.6072 60.9643 71.9387 175.4389 26 Q 4.1050 8.5659 121.1617 59.8799 28.7873 177.9891 27 S 3.9740 8.4180 112.2355 61.8368 61.8206 175.4947 28 N 4.1954 8.5086 121.3679 56.6655 39.2550 176.8030 29 L 4.1113 8.3839 120.2337 58.1864 41.5438 179.6442 30 E 4.0170 8.0527 116.8890 59.3205 29.9243 179.1228 31 K 4.2200 8.0238 116.7083 57.5366 32.0116 178.9700 32 L 3.9405 7.6724 121.7820 57.7794 42.2027 176.6499 33 P 4.3061 0.0000 0.0000 65.7178 31.2984 178.7403 34 K 4.1318 8.0091 116.5354 59.7023 31.8692 178.5541 35 Y 4.0181 7.7189 118.0865 60.6132 38.9493 178.0389 36 K 4.0683 8.6685 120.0874 59.5078 32.3177 179.0971 37 E 3.9441 8.0708 117.2787 59.4200 29.2289 179.0267 38 K 3.8764 7.7197 119.5785 58.9744 32.2378 178.4147 39 K 3.8165 7.5709 119.0294 58.3906 33.3603 177.5155 40 A 4.2326 7.4594 122.5068 52.3026 15.4319 174.9856 41 A 4.3662 6.9667 123.3287 53.0738 22.4712 177.9524 *60 T 4.3303 7.6984 109.2934 61.1190 69.5785 173.2633 61 C 4.8178 8.2470 113.9623 55.4327 32.9616 174.1337 62 A 3.3869 8.1736 120.0385 55.2535 17.8605 179.4701 63 L 3.7329 7.5257 116.4646 57.9473 41.5326 179.3833 64 D 4.2910 7.2740 117.3885 57.2940 40.3944 178.0973 65 Y 4.1489 7.9489 116.4096 59.6562 37.9617 175.9654 66 L 4.3079 7.2918 118.8995 54.5142 41.5121 176.4023 67 I 4.5313 7.1437 118.2615 58.6265 39.8127 173.7194 68 P 4.2756 0.0000 0.0000 62.0826 31.7082 174.6644 69 P 4.5007 0.0000 0.0000 62.2518 33.3022 176.0078 70 P 4.5622 0.0000 0.0000 62.3578 29.8412 178.0936 *72 P 4.2957 0.0000 0.0000 62.9207 32.5354 176.5096 73 K 4.1400 8.6090 119.4371 59.5068 32.2684 178.2127 74 N 4.5083 8.0914 115.8864 53.4375 39.0251 175.8012 75 Q 4.5648 8.4146 123.6793 54.0571 27.7702 174.6901 76 Q 4.3826 7.8368 115.9695 55.5395 30.7262 176.8436 77 Y 4.5349 7.7256 114.2936 58.5065 39.1455 176.3736 78 R 4.2749 7.7306 121.1407 55.2590 28.3782 175.4485 79 A 4.0680 7.8532 121.9225 52.9344 19.9108 177.7748 80 F 5.0136 7.8845 113.4275 56.0305 39.6307 174.5263 81 G 4.2904 7.6846 107.2922 44.1166 0.0000 172.0965 82 S 4.3088 8.5193 113.6393 58.1488 62.6547 173.8279 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 15 P 0.00 4.33 0.00 2.17 2.15 0.00 3.73 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 1.87 1.96 0.00 16 P 0.00 4.22 0.00 2.22 2.08 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 17 P 0.00 4.24 0.00 1.98 1.96 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 18 P 0.00 4.12 0.00 2.01 1.56 0.00 3.53 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 19 P 0.00 4.06 0.00 1.90 1.92 0.00 2.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 20 Y 7.06 4.35 0.00 3.24 3.25 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 21 V 7.55 3.66 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 1.01 0.00 0.00 0.88 0.00 0.00 22 K 7.53 3.62 0.00 1.52 1.62 0.00 1.49 0.00 0.00 0.99 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.31 1.16 7.81 23 F 7.56 4.65 0.00 2.96 2.88 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 24 F 8.38 4.49 0.00 3.17 3.10 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 25 T 7.31 4.45 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 1.25 0.00 0.00 26 Q 8.57 4.11 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 27 S 8.42 3.97 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 4.20 0.00 2.79 2.78 0.00 0.00 7.18 8.59 0.00 0.00 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 L 8.38 4.11 0.00 1.90 1.77 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.05 4.02 0.00 2.13 2.02 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 2.36 2.65 0.00 31 K 8.02 4.22 0.00 1.87 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 32 L 7.67 3.94 0.00 1.91 1.77 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.31 0.00 2.21 2.12 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 34 K 8.01 4.13 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 35 Y 7.72 4.02 0.00 3.04 3.15 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 36 K 8.67 4.07 0.00 2.01 1.84 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.65 7.81 37 E 8.07 3.94 0.00 2.17 2.19 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 2.57 2.29 0.00 38 K 7.72 3.88 0.00 1.76 1.92 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.36 7.81 39 K 7.57 3.82 0.00 1.61 1.73 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.18 7.81 40 A 7.46 4.23 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 41 A 6.97 4.37 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 *60 T 7.70 4.33 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 1.25 0.00 0.00 61 C 8.25 4.82 0.00 3.00 2.98 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 0.00 0.00 0.00 62 A 8.17 3.39 1.07 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 0.00 0.00 0.00 0.00 0.00 63 L 7.53 3.73 0.00 0.43 1.11 0.63 0.88 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 64 D 7.27 4.29 0.00 2.69 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.95 4.15 0.00 2.82 3.10 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 66 L 7.29 4.31 0.00 1.48 1.44 0.67 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.14 4.53 1.99 0.00 0.00 0.97 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 0.58 0.91 0.00 0.00 68 P 0.00 4.28 0.00 2.04 2.03 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 69 P 0.00 4.50 0.00 2.13 1.98 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 70 P 0.00 4.56 0.00 2.05 1.34 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 *72 P 0.00 4.30 0.00 2.44 2.13 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 73 K 8.61 4.14 0.00 1.76 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.47 7.81 74 N 8.09 4.51 0.00 2.74 2.74 0.00 0.00 6.78 7.69 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 75 Q 8.41 4.56 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 76 Q 7.84 4.38 0.00 1.59 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 1.94 1.29 0.00 77 Y 7.73 4.53 0.00 3.05 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 78 R 7.73 4.27 0.00 1.82 1.88 0.00 3.26 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 79 A 7.85 4.07 1.03 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 0.00 0.00 80 F 7.88 5.01 0.00 3.04 2.98 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 0.00 0.00 0.00 81 G 7.68 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 0.00 0.00 0.00 0.00 82 S 8.52 4.31 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.