#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g82 h MET 378 N 0.00 -0.02 -7.76 2.12 2.07 -2.11 -3.45 114.93 105.79 3g82 h MET 378 Ca 0.00 0.00 -0.44 0.00 -2.07 0.00 0.00 59.70 57.19 3g82 h MET 378 Cb 0.00 0.00 0.17 0.00 -1.87 0.00 0.00 31.60 29.91 3g82 h MET 378 CO 0.00 -0.01 0.37 -0.06 1.07 0.00 0.00 176.91 178.28 3g82 s PHE 379 N -2.21 1.25 0.70 -0.22 0.40 -1.26 -5.09 117.98 111.56 3g82 s PHE 379 Ca -0.00 0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.55 3g82 s PHE 379 Cb 0.00 -4.05 0.04 0.00 0.51 0.00 0.00 43.02 39.52 3g82 s PHE 379 CO 0.01 -2.97 1.05 -1.01 0.70 0.00 0.00 175.22 173.00 3g82 s HIS 380 N -3.75 3.12 -0.28 0.36 3.76 -1.26 -5.01 115.29 112.23 3g82 s HIS 380 Ca 0.74 0.73 -0.29 0.00 -0.15 0.00 0.00 55.06 56.10 3g82 s HIS 380 Cb -0.04 -3.13 -0.01 0.00 1.11 0.00 0.00 32.58 30.51 3g82 s HIS 380 CO 0.54 -1.30 1.51 0.21 -0.85 0.00 0.00 174.74 174.85 3g82 s LYS 381 N -5.30 3.75 -0.06 1.40 2.20 -1.26 -4.96 119.74 115.51 3g82 s LYS 381 Ca 0.59 1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 57.30 3g82 s LYS 381 Cb -0.11 -4.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 3g82 s LYS 381 CO 0.48 -1.34 1.51 0.96 -0.36 0.00 0.00 175.35 176.60 3g82 s ILE 382 N 5.15 3.74 -0.65 5.43 -4.36 -1.26 -4.91 121.20 124.33 3g82 s ILE 382 Ca 0.66 0.96 -0.03 0.00 -0.26 0.00 0.00 60.65 61.99 3g82 s ILE 382 Cb -0.20 -3.62 0.23 0.00 1.25 0.00 0.00 42.46 40.11 3g82 s ILE 382 CO 0.28 -0.06 2.35 -1.22 0.24 0.00 0.00 174.94 176.53 3g82 n TYR 383 N 6.56 2.34 -4.40 1.37 4.02 -1.26 -4.93 117.16 120.86 3g82 n TYR 383 Ca 0.16 -2.18 -0.21 0.00 -0.01 0.00 0.00 57.90 55.66 3g82 n TYR 383 Cb 0.43 -1.28 -0.10 0.00 -0.02 0.00 0.00 39.34 38.37 3g82 n TYR 383 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3g82 s ILE 384 N -3.75 2.05 -0.05 -0.72 -1.09 -1.26 -2.91 121.20 113.47 3g82 s ILE 384 Ca 0.55 -2.29 -0.31 0.00 -2.23 0.00 0.00 60.65 56.37 3g82 s ILE 384 Cb 0.41 -2.18 0.07 0.00 -1.58 0.00 0.00 42.46 39.19 3g82 s ILE 384 CO -0.30 -0.50 0.70 0.00 -1.23 0.00 0.00 174.94 173.61 3g82 s GLN 385 N -3.59 1.04 0.39 2.79 -2.07 -0.85 -4.96 119.66 112.40 3g82 s GLN 385 Ca 0.26 0.22 -0.24 0.00 -1.82 0.00 0.00 55.36 53.79 3g82 s GLN 385 Cb -0.02 0.49 -0.10 0.00 -1.09 0.00 0.00 33.01 32.29 3g82 s GLN 385 CO 0.11 -0.33 0.99 0.21 -1.32 0.00 0.00 175.29 174.94 3g82 s LYS 386 N -1.29 4.30 -0.03 9.60 2.20 -1.26 -1.62 119.74 131.64 3g82 s LYS 386 Ca -0.10 1.34 -0.01 0.00 -0.36 0.00 0.00 55.97 56.84 3g82 s LYS 386 Cb -0.00 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.85 3g82 s LYS 386 CO 0.09 0.01 0.05 -1.01 -0.36 0.00 0.00 175.35 174.12 3g82 s HIS 387 N -1.80 0.03 0.65 4.03 3.76 -0.30 -4.96 115.29 116.70 3g82 s HIS 387 Ca 0.57 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.68 3g82 s HIS 387 Cb -0.17 -0.32 0.09 0.00 1.11 0.00 0.00 32.58 33.30 3g82 s HIS 387 CO 0.22 -0.13 0.90 -0.51 -0.85 0.00 0.00 174.74 174.37 3g82 s ASP 388 N 1.47 4.72 -1.33 1.40 1.01 -1.26 -1.07 116.67 121.61 3g82 s ASP 388 Ca -0.04 -0.33 -0.15 0.00 0.71 0.00 0.00 52.55 52.74 3g82 s ASP 388 Cb -0.13 -0.23 0.01 0.00 1.01 0.00 0.00 42.92 43.59 3g82 s ASP 388 CO -0.03 -1.58 0.47 0.59 0.21 0.00 0.00 175.17 174.83 3g82 n ASN 389 N -2.61 -2.16 -4.40 0.27 3.02 -1.11 -4.92 115.26 103.36 3g82 n ASN 389 Ca 0.13 -1.17 -0.20 0.00 -0.03 0.00 0.00 54.58 53.30 3g82 n ASN 389 Cb 0.60 -2.30 -0.10 0.00 -0.61 0.00 0.00 39.78 37.38 3g82 n ASN 389 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3g82 s VAL 390 N -3.84 1.60 -0.09 2.41 -7.23 -0.38 -4.82 120.40 108.05 3g82 s VAL 390 Ca 0.25 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 3g82 s VAL 390 Cb -0.12 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.50 3g82 s VAL 390 CO 0.94 -0.38 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.78 3g82 s SER 391 N -3.40 2.14 -0.21 4.85 0.01 -0.98 0.40 113.70 116.51 3g82 s SER 391 Ca 0.28 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 57.12 3g82 s SER 391 Cb 0.03 -0.95 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 3g82 s SER 391 CO 0.10 0.01 0.01 -0.63 0.41 0.00 0.00 173.24 173.14 3g82 s ILE 392 N 0.91 3.97 -0.14 1.44 1.01 0.13 -1.30 121.20 127.22 3g82 s ILE 392 Ca -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 3g82 s ILE 392 Cb -0.15 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3g82 s ILE 392 CO 0.00 0.42 -0.08 -0.22 0.00 0.00 0.00 174.94 175.06 3g82 s LEU 393 N 1.10 2.98 0.05 2.97 0.20 -0.57 -1.75 118.68 123.67 3g82 s LEU 393 Ca 0.03 -0.23 0.07 0.00 0.69 0.00 0.00 54.13 54.69 3g82 s LEU 393 Cb -0.14 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 3g82 s LEU 393 CO 0.02 0.17 -0.19 -0.36 -0.29 0.00 0.00 176.35 175.69 3g82 s PHE 394 N 0.35 1.67 -0.26 5.38 0.40 0.21 -2.13 117.98 123.59 3g82 s PHE 394 Ca -0.08 -0.38 -0.17 0.00 -0.60 0.00 0.00 56.93 55.71 3g82 s PHE 394 Cb -0.15 -0.98 0.07 0.00 0.51 0.00 0.00 43.02 42.47 3g82 s PHE 394 CO 0.04 0.09 0.64 0.00 0.70 0.00 0.00 175.22 176.70 3g82 s ALA 395 N -0.87 -1.70 0.16 5.36 0.00 -0.57 0.19 121.76 124.34 3g82 s ALA 395 Ca 0.06 2.16 0.08 0.00 0.00 0.00 0.00 51.96 54.25 3g82 s ALA 395 Cb -0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3g82 s ALA 395 CO 0.02 -0.35 -0.16 0.34 0.00 0.00 0.00 175.76 175.61 3g82 s ASP 396 N 1.27 2.45 -0.07 0.00 2.15 -1.13 -1.19 116.67 120.14 3g82 s ASP 396 Ca -0.07 -0.88 -0.30 0.00 0.43 0.00 0.00 52.55 51.73 3g82 s ASP 396 Cb -0.05 -0.13 -0.03 0.00 -0.30 0.00 0.00 42.92 42.41 3g82 s ASP 396 CO -0.13 -0.09 1.25 -0.63 -0.17 0.00 0.00 175.17 175.39 3g82 s ILE 397 N -2.25 4.16 -0.16 4.11 -1.09 -1.07 -1.80 121.20 123.09 3g82 s ILE 397 Ca 0.15 1.48 -0.29 0.00 -2.23 0.00 0.00 60.65 59.75 3g82 s ILE 397 Cb -0.04 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 3g82 s ILE 397 CO 0.05 -0.03 1.26 -0.70 -1.23 0.00 0.00 174.94 174.29 3g82 s GLU 398 N 2.54 4.24 -0.81 2.79 2.56 0.18 -3.93 118.70 126.27 3g82 s GLU 398 Ca 0.57 1.66 -0.01 0.00 0.00 0.00 0.00 54.97 57.19 3g82 s GLU 398 Cb -0.25 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.13 3g82 s GLU 398 CO 0.21 -0.69 0.68 0.41 -0.56 0.00 0.00 175.26 175.31 3g82 n GLY 399 N 3.59 -0.08 0.20 -1.50 0.00 -1.26 -3.99 105.19 102.16 3g82 n GLY 399 Ca 0.14 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3g82 n GLY 399 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g82 h PHE 400 N -1.35 0.93 -0.26 1.61 3.57 -1.96 -2.76 116.94 116.72 3g82 h PHE 400 Ca -0.39 -0.43 -0.11 0.00 3.53 0.00 0.00 57.97 60.58 3g82 h PHE 400 Cb 1.23 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3g82 h PHE 400 CO 0.30 1.24 -0.31 1.15 -2.23 0.00 0.00 178.31 178.46 3g82 h THR 401 N 0.36 1.28 -0.63 4.41 2.02 -1.92 0.56 112.91 118.99 3g82 h THR 401 Ca -0.06 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.68 3g82 h THR 401 Cb 1.35 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 3g82 h THR 401 CO 0.15 0.44 0.18 0.77 0.37 0.00 0.00 175.52 177.43 3g82 h SER 402 N 0.47 0.90 -0.04 4.18 4.64 -1.97 -2.97 113.55 118.75 3g82 h SER 402 Ca 0.06 -0.16 -0.23 0.00 -0.47 0.00 0.00 61.79 60.98 3g82 h SER 402 Cb 0.77 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3g82 h SER 402 CO 0.06 0.85 -0.86 0.25 -0.87 0.00 0.00 176.83 176.26 3g82 h LEU 403 N 0.92 0.88 0.00 5.97 5.85 -1.07 -3.19 115.31 124.67 3g82 h LEU 403 Ca 0.20 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3g82 h LEU 403 Cb 0.29 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3g82 h LEU 403 CO -0.01 1.41 0.00 0.00 -0.34 0.00 0.00 178.44 179.51 3g82 n ALA 404 N -2.61 1.61 -0.01 1.25 0.00 0.19 -1.47 120.51 119.48 3g82 n ALA 404 Ca -0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 3g82 n ALA 404 Cb 0.79 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 3g82 n ALA 404 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g82 n SER 405 N -0.85 0.75 -0.05 0.00 3.41 -1.21 -4.66 113.62 111.01 3g82 n SER 405 Ca 0.02 0.34 -0.04 0.00 -0.26 0.00 0.00 58.87 58.93 3g82 n SER 405 Cb 0.01 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 3g82 n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g82 n GLN 406 N -2.92 0.33 -1.99 4.33 6.02 -0.54 -5.00 117.38 117.62 3g82 n GLN 406 Ca -0.15 0.39 -0.32 0.00 -0.01 0.00 0.00 57.00 56.91 3g82 n GLN 406 Cb 0.95 -1.37 0.01 0.00 1.02 0.00 0.00 30.24 30.85 3g82 n GLN 406 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g82 s THR 408 N -2.83 3.11 0.26 0.00 -4.23 -1.26 -4.87 115.64 105.82 3g82 s THR 408 Ca 0.59 0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 61.55 3g82 s THR 408 Cb -0.12 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 71.01 3g82 s THR 408 CO 0.44 -0.38 1.75 0.00 -0.54 0.00 0.00 174.62 175.90 3g82 h ALA 409 N -0.46 1.28 0.00 3.99 0.00 -1.96 -0.66 119.26 121.45 3g82 h ALA 409 Ca -0.46 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3g82 h ALA 409 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3g82 h ALA 409 CO 0.52 -0.12 -0.49 1.96 0.00 0.00 0.00 179.25 181.12 3g82 h GLN 410 N 0.59 0.00 -0.31 0.00 4.20 -2.00 -3.08 115.11 114.51 3g82 h GLN 410 Ca 0.47 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.08 3g82 h GLN 410 Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3g82 h GLN 410 CO -0.38 0.49 -0.23 1.49 -0.67 0.00 0.00 178.83 179.53 3g82 h GLU 411 N 0.00 0.59 -0.03 1.46 4.81 -1.48 -1.70 114.58 118.23 3g82 h GLU 411 Ca -0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3g82 h GLU 411 Cb 0.99 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 3g82 h GLU 411 CO 0.06 0.78 0.00 -0.07 -0.73 0.00 0.00 179.01 179.05 3g82 h LEU 412 N 0.52 0.05 -1.70 1.64 4.07 -1.39 -2.29 115.31 116.21 3g82 h LEU 412 Ca 0.08 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 3g82 h LEU 412 Cb 0.68 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 3g82 h LEU 412 CO 0.05 0.32 0.01 0.58 -1.08 0.00 0.00 178.44 178.32 3g82 h VAL 413 N -0.23 1.09 0.74 1.22 2.07 -1.46 0.38 116.25 120.07 3g82 h VAL 413 Ca 0.01 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3g82 h VAL 413 Cb 0.30 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3g82 h VAL 413 CO 0.00 0.11 -0.39 0.24 0.02 0.00 0.00 177.57 177.56 3g82 h MET 414 N 0.19 -1.00 -0.12 1.57 2.86 -1.21 -1.72 114.93 115.50 3g82 h MET 414 Ca 0.05 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3g82 h MET 414 Cb 0.12 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3g82 h MET 414 CO 0.00 -0.67 0.08 1.15 1.06 0.00 0.00 176.91 178.53 3g82 h THR 415 N -1.04 1.03 -0.03 2.22 2.02 -0.62 0.22 112.91 116.71 3g82 h THR 415 Ca -0.10 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.06 3g82 h THR 415 Cb 0.81 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 3g82 h THR 415 CO 0.15 0.03 -0.39 0.25 0.37 0.00 0.00 175.52 175.92 3g82 h LEU 416 N 0.16 -1.20 -0.76 2.58 5.85 -0.37 0.40 115.31 121.98 3g82 h LEU 416 Ca 0.05 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3g82 h LEU 416 Cb -0.02 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3g82 h LEU 416 CO -0.01 -0.43 0.40 -1.13 -0.34 0.00 0.00 178.44 176.92 3g82 h ASN 417 N -0.53 0.96 -0.84 1.25 -1.24 -1.12 0.56 115.58 114.61 3g82 h ASN 417 Ca 0.06 -0.11 0.05 0.00 0.71 0.00 0.00 56.30 57.00 3g82 h ASN 417 Cb 0.63 -0.25 -0.06 0.00 0.73 0.00 0.00 38.32 39.38 3g82 h ASN 417 CO -0.32 0.80 0.53 -0.08 -1.29 0.00 0.00 177.43 177.06 3g82 h GLU 418 N 1.05 0.96 0.32 6.67 4.57 -0.06 -0.89 114.58 127.20 3g82 h GLU 418 Ca 0.26 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 3g82 h GLU 418 Cb 0.07 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3g82 h GLU 418 CO -0.04 0.64 -0.15 1.25 -1.18 0.00 0.00 179.01 179.52 3g82 h LEU 419 N 0.99 -0.37 -0.45 1.64 5.85 0.52 -3.12 115.31 120.37 3g82 h LEU 419 Ca 0.35 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 3g82 h LEU 419 Cb 0.09 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3g82 h LEU 419 CO -0.15 0.00 -0.71 -0.26 -0.34 0.00 0.00 178.44 176.98 3g82 h PHE 420 N -0.78 0.46 -0.93 1.25 0.04 -0.83 0.26 116.94 116.41 3g82 h PHE 420 Ca -0.04 -0.20 0.08 0.00 2.80 0.00 0.00 57.97 60.60 3g82 h PHE 420 Cb 0.51 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.52 3g82 h PHE 420 CO 0.02 0.94 0.58 0.00 -0.60 0.00 0.00 178.31 179.25 3g82 h ALA 421 N 1.00 1.30 -0.35 2.45 0.00 -1.30 0.98 119.26 123.35 3g82 h ALA 421 Ca -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3g82 h ALA 421 Cb 1.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3g82 h ALA 421 CO 0.12 0.30 0.08 -0.09 0.00 0.00 0.00 179.25 179.66 3g82 h ARG 422 N 1.02 0.57 -0.69 0.00 9.65 -1.33 -2.35 114.38 121.25 3g82 h ARG 422 Ca 0.42 -0.14 0.04 0.00 -1.10 0.00 0.00 59.98 59.19 3g82 h ARG 422 Cb 0.25 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 3g82 h ARG 422 CO -0.20 0.62 0.43 0.74 2.80 0.00 0.00 179.97 184.36 3g82 h PHE 423 N 0.42 0.80 0.00 2.20 -1.00 0.99 -1.78 116.94 118.57 3g82 h PHE 423 Ca 0.11 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.86 3g82 h PHE 423 Cb 0.31 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3g82 h PHE 423 CO 0.02 0.44 -0.27 -0.44 -1.61 0.00 0.00 178.31 176.45 3g82 h ASP 424 N 0.83 0.00 -0.26 2.17 5.19 1.00 -1.76 116.42 123.58 3g82 h ASP 424 Ca 0.29 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.58 3g82 h ASP 424 Cb 0.05 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 3g82 h ASP 424 CO -0.12 0.27 -0.29 0.11 -3.12 0.00 0.00 179.24 176.09 3g82 h LYS 425 N 0.00 0.67 -0.70 3.56 1.57 -0.82 -3.25 116.57 117.60 3g82 h LYS 425 Ca -0.00 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 3g82 h LYS 425 Cb 0.60 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3g82 h LYS 425 CO 0.04 0.97 0.16 -0.07 -0.57 0.00 0.00 179.45 179.98 3g82 h LEU 426 N 0.39 1.07 -0.51 2.94 3.38 -0.98 -3.25 115.31 118.35 3g82 h LEU 426 Ca 0.04 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3g82 h LEU 426 Cb 0.87 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 3g82 h LEU 426 CO 0.07 1.03 -0.54 0.00 0.09 0.00 0.00 178.44 179.10 3g82 h ALA 427 N 1.08 -0.66 -0.61 1.53 0.00 -1.36 -1.76 119.26 117.47 3g82 h ALA 427 Ca 0.22 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3g82 h ALA 427 Cb 0.38 1.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 3g82 h ALA 427 CO 0.00 -1.00 0.41 0.00 0.00 0.00 0.00 179.25 178.66 3g82 h ALA 428 N 0.16 1.92 -0.51 0.00 0.00 -1.64 0.86 119.26 120.03 3g82 h ALA 428 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3g82 h ALA 428 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3g82 h ALA 428 CO -0.66 -0.04 -0.12 0.93 0.00 0.00 0.00 179.25 179.36 3g82 h GLU 429 N 0.50 0.97 -0.59 0.00 5.08 -1.42 -3.05 114.58 116.06 3g82 h GLU 429 Ca 0.28 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3g82 h GLU 429 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3g82 h GLU 429 CO -0.08 1.03 0.00 0.09 -1.00 0.00 0.00 179.01 179.04 3g82 n ASN 430 N -4.14 3.10 -3.61 1.42 3.02 -0.76 -4.91 115.26 109.38 3g82 n ASN 430 Ca 0.01 -2.27 -0.21 0.00 -0.03 0.00 0.00 54.58 52.08 3g82 n ASN 430 Cb 0.40 -0.45 0.06 0.00 -0.61 0.00 0.00 39.78 39.18 3g82 n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3g82 n HIS 431 N 0.60 -2.21 -5.01 3.10 8.25 -1.07 -4.69 115.22 114.19 3g82 n HIS 431 Ca 0.16 0.91 -0.32 0.00 -0.26 0.00 0.00 57.72 58.21 3g82 n HIS 431 Cb 0.59 -4.71 -0.14 0.00 1.12 0.00 0.00 29.99 26.85 3g82 n HIS 431 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g82 s LEU 433 N -0.76 3.65 0.22 0.00 0.20 -0.57 -3.86 118.68 117.56 3g82 s LEU 433 Ca 0.11 -0.53 -0.30 0.00 0.69 0.00 0.00 54.13 54.10 3g82 s LEU 433 Cb -0.10 -1.89 -0.10 0.00 -0.43 0.00 0.00 46.19 43.67 3g82 s LEU 433 CO 0.00 -0.13 1.43 -0.60 -0.29 0.00 0.00 176.35 176.76 3g82 s ARG 434 N 1.54 4.29 0.00 1.98 3.00 -1.26 -0.33 118.95 128.17 3g82 s ARG 434 Ca 0.04 2.25 0.00 0.00 -1.00 0.00 0.00 55.73 57.02 3g82 s ARG 434 Cb -0.16 -3.14 0.00 0.00 0.00 0.00 0.00 34.95 31.65 3g82 s ARG 434 CO 0.02 -0.41 0.00 -0.89 0.00 0.00 0.00 175.30 174.02 3g82 n ILE 435 N 2.64 0.00 -3.77 4.11 5.41 -0.99 -4.90 119.36 121.86 3g82 n ILE 435 Ca 0.08 0.28 -0.12 0.00 1.00 0.00 0.00 62.75 63.99 3g82 n ILE 435 Cb 0.41 -1.20 -0.08 0.00 -0.71 0.00 0.00 39.64 38.05 3g82 n ILE 435 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3g82 s LYS 436 N -0.57 0.74 -0.22 0.38 2.20 -1.20 -4.65 119.74 116.42 3g82 s LYS 436 Ca 0.00 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3g82 s LYS 436 Cb 0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 3g82 s LYS 436 CO 0.00 -0.22 -0.04 0.42 -0.36 0.00 0.00 175.35 175.15 3g82 s ILE 437 N -2.11 3.42 -0.84 5.43 1.01 -1.26 -3.12 121.20 123.73 3g82 s ILE 437 Ca -0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 3g82 s ILE 437 Cb -0.02 -2.56 0.21 0.00 0.01 0.00 0.00 42.46 40.10 3g82 s ILE 437 CO -0.01 0.42 0.73 -0.76 0.00 0.00 0.00 174.94 175.32 3g82 s LEU 438 N 1.48 5.84 0.00 2.97 1.43 0.35 -4.98 118.68 125.77 3g82 s LEU 438 Ca 0.06 -3.23 0.00 0.00 -1.03 0.00 0.00 54.13 49.93 3g82 s LEU 438 Cb -0.14 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3g82 s LEU 438 CO -0.03 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.82 3g82 n GLY 439 N 3.07 0.76 0.53 -3.19 0.00 -1.26 -0.30 105.19 104.81 3g82 n GLY 439 Ca 0.16 0.59 0.12 0.00 0.00 0.00 0.00 46.02 46.89 3g82 n GLY 439 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g82 n ASP 440 N 8.52 1.63 -4.60 1.61 5.75 -1.26 -4.84 116.55 123.36 3g82 n ASP 440 Ca 0.00 -1.62 -0.34 0.00 -0.01 0.00 0.00 54.79 52.82 3g82 n ASP 440 Cb 0.00 -0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 3g82 n ASP 440 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g82 s TYR 442 N 0.38 2.36 -0.17 0.00 6.14 -0.34 -0.50 117.35 125.23 3g82 s TYR 442 Ca 0.02 -0.66 -0.07 0.00 0.64 0.00 0.00 57.07 57.00 3g82 s TYR 442 Cb -0.13 -1.54 0.07 0.00 0.42 0.00 0.00 41.96 40.78 3g82 s TYR 442 CO 0.01 -0.18 0.37 1.52 0.64 0.00 0.00 175.55 177.91 3g82 s TYR 443 N -0.23 -0.62 0.43 4.97 1.13 -1.18 -1.50 117.35 120.35 3g82 s TYR 443 Ca -0.01 1.27 0.06 0.00 -1.41 0.00 0.00 57.07 56.98 3g82 s TYR 443 Cb -0.13 0.21 -0.06 0.00 -1.10 0.00 0.00 41.96 40.88 3g82 s TYR 443 CO 0.03 -0.39 0.02 0.00 -2.51 0.00 0.00 175.55 172.70 3g82 s VAL 445 N -2.74 1.53 -0.05 0.00 0.11 0.56 -1.50 120.40 118.30 3g82 s VAL 445 Ca 0.29 -2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 57.31 3g82 s VAL 445 Cb 0.08 -2.81 0.04 0.00 -1.53 0.00 0.00 36.38 32.15 3g82 s VAL 445 CO 0.15 0.00 0.09 -0.55 -3.33 0.00 0.00 175.10 171.46 3g82 s SER 446 N -3.63 0.99 0.00 3.54 0.15 -0.42 -1.51 113.70 112.81 3g82 s SER 446 Ca 0.33 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.14 3g82 s SER 446 Cb 0.08 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3g82 s SER 446 CO 0.16 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.96 3g82 n GLY 447 N 5.28 1.17 3.14 9.45 0.00 -1.26 -2.32 105.19 120.65 3g82 n GLY 447 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3g82 n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g82 s LEU 448 N 0.00 1.98 0.18 0.99 1.43 -1.26 -4.31 118.68 117.70 3g82 s LEU 448 Ca 0.00 -0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 3g82 s LEU 448 Cb 0.00 0.59 0.08 0.00 0.03 0.00 0.00 46.19 46.89 3g82 s LEU 448 CO 0.00 -0.65 1.45 1.55 0.23 0.00 0.00 176.35 178.93 3g82 h PRO 449 N 3.02 0.36 -6.61 1.29 0.13 -2.02 -3.45 132.00 124.73 3g82 h PRO 449 Ca -0.34 -0.30 -0.50 0.00 -0.87 0.00 0.00 66.00 64.00 3g82 h PRO 449 Cb 1.17 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3g82 h PRO 449 CO 0.61 0.94 -0.09 -2.00 -0.23 0.00 0.00 178.00 177.23 3g82 s GLU 450 N -3.61 3.59 0.84 0.86 2.12 -1.26 -5.09 118.70 116.14 3g82 s GLU 450 Ca -0.05 -0.00 -0.12 0.00 0.36 0.00 0.00 54.97 55.16 3g82 s GLU 450 Cb 0.11 -2.58 0.10 0.00 0.26 0.00 0.00 34.13 32.01 3g82 s GLU 450 CO 0.83 0.10 1.14 0.00 -0.54 0.00 0.00 175.26 176.79 3g82 s ALA 451 N -2.28 2.23 -0.16 6.30 0.00 -1.26 -4.73 121.76 121.86 3g82 s ALA 451 Ca 0.44 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 3g82 s ALA 451 Cb -0.10 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.04 3g82 s ALA 451 CO 0.34 -1.89 0.41 0.50 0.00 0.00 0.00 175.76 175.12 3g82 s ARG 452 N -5.35 0.46 0.47 0.00 3.52 -1.26 -4.93 118.95 111.85 3g82 s ARG 452 Ca 0.62 0.62 0.26 0.00 -0.13 0.00 0.00 55.73 57.09 3g82 s ARG 452 Cb -0.13 0.18 0.62 0.00 -1.56 0.00 0.00 34.95 34.05 3g82 s ARG 452 CO 0.52 -0.08 1.71 0.00 -0.81 0.00 0.00 175.30 176.64 3g82 h ALA 453 N 5.86 0.99 -0.30 6.12 0.00 -1.99 -3.12 119.26 126.82 3g82 h ALA 453 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3g82 h ALA 453 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3g82 h ALA 453 CO 0.26 0.02 0.00 -3.47 0.00 0.00 0.00 179.25 176.06 3g82 n ASP 454 N -3.10 2.14 -0.33 0.00 2.03 -1.26 -4.64 116.55 111.38 3g82 n ASP 454 Ca 0.03 -2.13 0.02 0.00 0.52 0.00 0.00 54.79 53.23 3g82 n ASP 454 Cb 0.47 -0.33 0.17 0.00 -0.72 0.00 0.00 41.12 40.71 3g82 n ASP 454 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3g82 h HIS 455 N 1.83 1.06 -0.05 -0.67 2.07 -1.88 -2.89 115.15 114.63 3g82 h HIS 455 Ca 0.00 0.03 -0.15 0.00 -2.85 0.00 0.00 60.37 57.40 3g82 h HIS 455 Cb 0.66 -0.34 -0.01 0.00 2.57 0.00 0.00 27.41 30.28 3g82 h HIS 455 CO 0.30 0.52 -0.64 0.00 -3.07 0.00 0.00 177.93 175.03 3g82 h ALA 456 N 1.44 0.83 -0.61 6.11 0.00 -1.83 -3.03 119.26 122.18 3g82 h ALA 456 Ca 0.41 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3g82 h ALA 456 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3g82 h ALA 456 CO -0.19 0.76 0.40 0.45 0.00 0.00 0.00 179.25 180.67 3g82 h HIS 457 N 0.13 0.78 0.02 0.00 -0.00 -1.77 -3.07 115.15 111.24 3g82 h HIS 457 Ca -0.01 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3g82 h HIS 457 Cb 1.16 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 3g82 h HIS 457 CO 0.02 0.50 -0.43 0.00 -0.00 0.00 0.00 177.93 178.02 3g82 h VAL 460 N 0.20 1.03 -0.09 0.00 2.07 -1.34 0.36 116.25 118.48 3g82 h VAL 460 Ca 0.38 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.81 3g82 h VAL 460 Cb 0.64 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3g82 h VAL 460 CO -0.53 0.02 -0.12 -0.33 0.02 0.00 0.00 177.57 176.63 3g82 h GLU 461 N 0.07 0.14 0.05 1.57 4.39 0.15 -0.70 114.58 120.26 3g82 h GLU 461 Ca 0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3g82 h GLU 461 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3g82 h GLU 461 CO -0.00 0.27 -0.03 1.98 -1.16 0.00 0.00 179.01 180.07 3g82 h MET 462 N 0.13 -0.07 -0.64 2.33 4.05 0.19 -2.75 114.93 118.17 3g82 h MET 462 Ca 0.03 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.56 3g82 h MET 462 Cb 0.31 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.04 3g82 h MET 462 CO 0.02 0.25 0.23 0.78 0.23 0.00 0.00 176.91 178.41 3g82 h GLY 463 N -0.39 0.91 0.11 1.39 0.00 0.12 0.21 103.07 105.42 3g82 h GLY 463 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.25 3g82 h GLY 463 CO 0.01 -0.05 -0.39 -0.33 0.00 0.00 0.00 176.54 175.78 3g82 h MET 464 N 0.39 -0.48 -0.64 4.80 2.07 -1.07 0.35 114.93 120.35 3g82 h MET 464 Ca 0.33 0.03 -0.06 0.00 -2.07 0.00 0.00 59.70 57.94 3g82 h MET 464 Cb 0.45 0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 30.26 3g82 h MET 464 CO -0.35 -0.32 0.16 -0.44 1.07 0.00 0.00 176.91 177.03 3g82 h ASP 465 N -0.50 0.94 -0.99 1.22 3.32 -1.17 -2.69 116.42 116.55 3g82 h ASP 465 Ca 0.07 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.00 3g82 h ASP 465 Cb 0.62 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 3g82 h ASP 465 CO -0.35 0.91 0.64 0.24 -1.72 0.00 0.00 179.24 178.96 3g82 h MET 466 N 0.96 1.11 0.66 3.56 2.86 0.14 0.26 114.93 124.48 3g82 h MET 466 Ca 0.20 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3g82 h MET 466 Cb 0.34 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 31.75 3g82 h MET 466 CO -0.00 0.74 -0.32 0.82 1.06 0.00 0.00 176.91 179.21 3g82 h ILE 467 N 1.15 0.33 -0.34 -1.22 1.08 -0.01 -2.60 117.51 115.88 3g82 h ILE 467 Ca 0.43 -0.09 -0.10 0.00 -0.39 0.00 0.00 64.86 64.71 3g82 h ILE 467 Cb 0.19 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 3g82 h ILE 467 CO -0.18 0.01 -0.19 -0.08 -0.69 0.00 0.00 178.15 177.02 3g82 h GLU 468 N -0.95 0.65 -0.18 2.37 4.81 -1.38 -2.68 114.58 117.21 3g82 h GLU 468 Ca -0.09 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3g82 h GLU 468 Cb 0.70 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3g82 h GLU 468 CO 0.15 0.80 0.10 0.00 -0.73 0.00 0.00 179.01 179.33 3g82 h ALA 469 N 1.21 1.84 -0.07 2.92 0.00 -0.94 -1.66 119.26 122.55 3g82 h ALA 469 Ca 0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3g82 h ALA 469 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3g82 h ALA 469 CO 0.05 0.14 -0.61 0.97 0.00 0.00 0.00 179.25 179.80 3g82 h ILE 470 N 0.25 1.38 0.00 0.00 -0.00 -1.11 -2.64 117.51 115.39 3g82 h ILE 470 Ca 0.07 -1.99 -0.11 0.00 -0.00 0.00 0.00 64.86 62.83 3g82 h ILE 470 Cb 0.01 2.00 -0.02 0.00 -0.00 0.00 0.00 36.82 38.81 3g82 h ILE 470 CO -0.01 0.59 -0.50 0.28 -0.00 0.00 0.00 178.15 178.50 3g82 h SER 471 N 0.19 0.00 1.20 2.19 0.02 -1.26 0.98 113.55 116.86 3g82 h SER 471 Ca -0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 3g82 h SER 471 Cb 1.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 3g82 h SER 471 CO 0.10 0.50 -0.81 -0.07 -1.14 0.00 0.00 176.83 175.41 3g82 h LEU 472 N 0.00 0.00 0.00 5.07 3.38 -1.41 -3.07 115.31 119.28 3g82 h LEU 472 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g82 h LEU 472 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3g82 h LEU 472 CO 0.07 0.76 -0.35 0.58 0.09 0.00 0.00 178.44 179.58 3g82 h VAL 473 N 0.00 0.00 0.00 1.22 2.07 -1.25 -3.12 116.25 115.16 3g82 h VAL 473 Ca -0.02 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3g82 h VAL 473 Cb 1.59 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3g82 h VAL 473 CO 0.10 0.00 -0.08 -0.09 0.02 0.00 0.00 177.57 177.51 3g82 h ARG 474 N 0.00 0.00 -0.75 1.57 2.43 -0.70 -2.06 114.38 114.88 3g82 h ARG 474 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3g82 h ARG 474 Cb 0.82 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 3g82 h ARG 474 CO 0.00 0.08 0.49 0.93 -1.51 0.00 0.00 179.97 179.96 3g82 h GLU 475 N 0.00 0.87 0.21 0.20 4.39 -1.60 -1.37 114.58 117.29 3g82 h GLU 475 Ca -0.00 -0.05 -0.33 0.00 0.34 0.00 0.00 59.36 59.32 3g82 h GLU 475 Cb 0.22 -0.20 0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3g82 h GLU 475 CO 0.01 0.58 -1.53 0.52 -1.16 0.00 0.00 179.01 177.43 3g82 h MET 476 N 0.90 0.45 -0.54 2.33 2.86 -1.57 -3.28 114.93 116.07 3g82 h MET 476 Ca 0.30 -0.76 -0.09 0.00 -2.06 0.00 0.00 59.70 57.09 3g82 h MET 476 Cb 0.07 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3g82 h MET 476 CO -0.09 1.36 0.01 1.79 1.06 0.00 0.00 176.91 181.03 3g82 h THR 477 N 0.12 1.26 0.00 2.22 1.35 -1.51 -3.46 112.91 112.89 3g82 h THR 477 Ca -0.26 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3g82 h THR 477 Cb 2.12 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3g82 h THR 477 CO 0.23 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 3g82 n GLY 478 N -0.41 0.42 3.49 5.82 0.00 -0.52 -4.99 105.19 109.00 3g82 n GLY 478 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3g82 n GLY 478 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g82 s VAL 479 N -2.10 2.30 -0.89 1.61 0.11 -1.26 -5.05 120.40 115.12 3g82 s VAL 479 Ca 0.00 -2.31 -0.22 0.00 -2.93 0.00 0.00 61.98 56.52 3g82 s VAL 479 Cb 0.00 -2.42 -0.13 0.00 -1.53 0.00 0.00 36.38 32.30 3g82 s VAL 479 CO 0.00 -0.33 1.93 -0.46 -3.33 0.00 0.00 175.10 172.91 3g82 n ASN 480 N -0.67 2.72 -4.81 3.54 6.94 -1.26 -4.91 115.26 116.81 3g82 n ASN 480 Ca -0.05 -2.69 -0.38 0.00 -0.02 0.00 0.00 54.58 51.43 3g82 n ASN 480 Cb 0.61 -1.28 -0.06 0.00 -2.36 0.00 0.00 39.78 36.70 3g82 n ASN 480 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3g82 s VAL 481 N 6.31 4.76 -0.05 3.53 -7.23 -1.26 -4.93 120.40 121.53 3g82 s VAL 481 Ca 0.60 1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 61.82 3g82 s VAL 481 Cb 0.11 -3.87 0.02 0.00 0.56 0.00 0.00 36.38 33.20 3g82 s VAL 481 CO 0.12 0.53 0.28 0.20 -0.31 0.00 0.00 175.10 175.92 3g82 s ASN 482 N -1.15 -0.21 0.22 4.85 0.01 -1.26 -4.88 114.94 112.51 3g82 s ASN 482 Ca 0.29 0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.72 3g82 s ASN 482 Cb -0.19 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.86 3g82 s ASN 482 CO 0.19 -0.28 0.39 -0.04 -1.51 0.00 0.00 177.10 175.84 3g82 s MET 483 N -0.68 3.49 -0.26 -0.60 -1.94 -1.26 0.51 119.30 118.56 3g82 s MET 483 Ca -0.08 -0.45 -0.02 0.00 -1.71 0.00 0.00 55.69 53.43 3g82 s MET 483 Cb -0.04 -2.85 0.08 0.00 2.01 0.00 0.00 34.83 34.04 3g82 s MET 483 CO 0.02 0.39 0.08 0.50 -0.01 0.00 0.00 175.02 176.00 3g82 s ARG 484 N -3.54 0.61 0.21 2.03 3.52 -0.75 -0.45 118.95 120.59 3g82 s ARG 484 Ca 0.37 -0.74 -0.17 0.00 -0.13 0.00 0.00 55.73 55.06 3g82 s ARG 484 Cb -0.10 -1.90 -0.08 0.00 -1.56 0.00 0.00 34.95 31.30 3g82 s ARG 484 CO 0.30 -0.86 0.67 0.08 -0.81 0.00 0.00 175.30 174.68 3g82 s VAL 485 N 1.79 4.67 -0.08 7.11 1.01 -1.09 -2.84 120.40 130.96 3g82 s VAL 485 Ca 0.05 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 3g82 s VAL 485 Cb -0.17 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.47 3g82 s VAL 485 CO -0.20 0.16 0.16 -0.83 0.00 0.00 0.00 175.10 174.39 3g82 s GLY 486 N -1.76 0.04 -0.09 4.51 0.00 0.13 -1.95 107.32 108.20 3g82 s GLY 486 Ca 0.43 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.75 3g82 s GLY 486 CO 0.20 1.63 -0.20 -0.42 0.00 0.00 0.00 173.10 174.30 3g82 s ILE 487 N 2.21 1.78 -0.00 0.90 1.01 0.20 -0.62 121.20 126.68 3g82 s ILE 487 Ca 0.02 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3g82 s ILE 487 Cb -0.12 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 3g82 s ILE 487 CO -0.06 0.50 -0.14 -2.28 0.00 0.00 0.00 174.94 172.97 3g82 s HIS 488 N 0.46 1.21 -0.16 3.97 2.46 -0.72 -2.69 115.29 119.82 3g82 s HIS 488 Ca -0.17 -0.25 -0.02 0.00 0.47 0.00 0.00 55.06 55.09 3g82 s HIS 488 Cb -0.17 -0.77 -0.02 0.00 -0.13 0.00 0.00 32.58 31.49 3g82 s HIS 488 CO 0.07 -0.01 -0.08 -1.12 -2.47 0.00 0.00 174.74 171.13 3g82 s SER 489 N -0.45 4.30 0.00 9.88 0.01 -1.26 0.21 113.70 126.40 3g82 s SER 489 Ca 0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.02 3g82 s SER 489 Cb -0.06 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.48 3g82 s SER 489 CO -0.00 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 3g82 n GLY 490 N 3.83 1.99 3.37 3.44 0.00 0.16 -4.54 105.19 113.45 3g82 n GLY 490 Ca -0.18 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3g82 n GLY 490 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3g82 s ARG 491 N 4.22 1.68 0.25 1.61 1.70 -1.26 -1.25 118.95 125.89 3g82 s ARG 491 Ca 0.00 -1.19 0.07 0.00 -0.47 0.00 0.00 55.73 54.14 3g82 s ARG 491 Cb 0.00 -1.97 -0.05 0.00 -0.57 0.00 0.00 34.95 32.36 3g82 s ARG 491 CO 0.00 0.49 -0.09 0.14 -1.08 0.00 0.00 175.30 174.76 3g82 s VAL 492 N -0.92 1.65 -0.00 4.99 -7.23 -0.23 -4.51 120.40 114.14 3g82 s VAL 492 Ca 0.13 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 3g82 s VAL 492 Cb -0.10 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 3g82 s VAL 492 CO 0.04 -0.40 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.38 3g82 s HIS 493 N -3.02 2.96 0.01 2.82 3.76 0.55 -1.15 115.29 121.22 3g82 s HIS 493 Ca 0.27 0.01 -0.10 0.00 -0.15 0.00 0.00 55.06 55.09 3g82 s HIS 493 Cb 0.02 -1.64 0.01 0.00 1.11 0.00 0.00 32.58 32.08 3g82 s HIS 493 CO 0.10 0.40 0.20 0.00 -0.85 0.00 0.00 174.74 174.60 3g82 n GLY 495 N 1.14 -0.48 3.24 0.00 0.00 -1.10 -2.01 105.19 105.98 3g82 n GLY 495 Ca -0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3g82 n GLY 495 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g82 s VAL 496 N 0.00 0.02 0.41 1.61 -7.23 -1.15 -2.20 120.40 111.87 3g82 s VAL 496 Ca 0.00 -0.14 0.08 0.00 -1.81 0.00 0.00 61.98 60.11 3g82 s VAL 496 Cb 0.00 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.38 3g82 s VAL 496 CO 0.00 -0.07 0.36 -0.76 -0.31 0.00 0.00 175.10 174.32 3g82 s LEU 497 N -0.26 3.40 0.00 1.32 1.43 -1.26 -4.29 118.68 119.02 3g82 s LEU 497 Ca -0.04 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3g82 s LEU 497 Cb -0.03 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3g82 s LEU 497 CO 0.02 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.58 3g82 n GLY 498 N -1.52 0.41 0.88 -3.19 0.00 -1.26 -4.78 105.19 95.73 3g82 n GLY 498 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3g82 n GLY 498 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g82 n LEU 499 N 0.00 0.58 -4.88 0.99 4.77 -1.26 -5.06 117.00 112.14 3g82 n LEU 499 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3g82 n LEU 499 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3g82 n LEU 499 CO 0.00 0.04 0.00 -0.13 -1.33 0.00 0.00 177.39 175.98 3g82 s ARG 500 N -1.97 3.65 -0.68 3.23 1.81 -1.26 -4.63 118.95 119.10 3g82 s ARG 500 Ca 0.00 -0.00 -0.13 0.00 -1.72 0.00 0.00 55.73 53.88 3g82 s ARG 500 Cb 0.00 -3.00 0.02 0.00 -0.45 0.00 0.00 34.95 31.52 3g82 s ARG 500 CO 0.00 0.58 0.63 1.63 -0.68 0.00 0.00 175.30 177.46 3g82 n LYS 501 N 0.80 -1.69 -2.27 3.54 5.02 -1.26 -4.92 118.16 117.38 3g82 n LYS 501 Ca -0.08 1.10 -0.37 0.00 -2.02 0.00 0.00 58.31 56.94 3g82 n LYS 501 Cb 0.52 -2.71 -0.01 0.00 -0.02 0.00 0.00 35.03 32.81 3g82 n LYS 501 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3g82 s TRP 502 N -2.51 2.88 -0.01 2.13 0.51 -1.26 -5.06 118.94 115.62 3g82 s TRP 502 Ca 0.13 1.54 0.01 0.00 -2.12 0.00 0.00 56.10 55.66 3g82 s TRP 502 Cb -0.02 -3.36 0.00 0.00 -0.81 0.00 0.00 33.47 29.29 3g82 s TRP 502 CO 0.87 -1.47 -0.02 -0.65 -0.51 0.00 0.00 176.95 175.18 3g82 s GLN 503 N -2.72 0.19 0.35 4.98 -0.21 -1.26 -5.12 119.66 115.86 3g82 s GLN 503 Ca 0.64 -0.04 -0.28 0.00 0.02 0.00 0.00 55.36 55.70 3g82 s GLN 503 Cb -0.28 -0.23 -0.10 0.00 1.00 0.00 0.00 33.01 33.40 3g82 s GLN 503 CO 0.34 0.01 1.34 0.12 -2.12 0.00 0.00 175.29 174.97 3g82 s PHE 504 N 0.18 2.94 0.29 0.91 5.36 -1.26 -4.61 117.98 121.79 3g82 s PHE 504 Ca -0.01 1.37 -0.14 0.00 -0.96 0.00 0.00 56.93 57.19 3g82 s PHE 504 Cb -0.04 -3.74 0.01 0.00 -0.34 0.00 0.00 43.02 38.92 3g82 s PHE 504 CO -0.01 -2.08 0.58 0.34 -1.46 0.00 0.00 175.22 172.60 3g82 s ASP 505 N -0.45 0.02 0.02 6.13 -1.08 -0.93 -4.49 116.67 115.88 3g82 s ASP 505 Ca 0.50 -0.96 0.02 0.00 -0.52 0.00 0.00 52.55 51.59 3g82 s ASP 505 Cb -0.41 0.67 -0.02 0.00 -1.46 0.00 0.00 42.92 41.71 3g82 s ASP 505 CO 0.54 -1.29 -0.06 0.68 0.52 0.00 0.00 175.17 175.56 3g82 s VAL 506 N -3.62 0.42 -0.06 1.11 -7.23 -1.26 -2.72 120.40 107.04 3g82 s VAL 506 Ca 0.20 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.62 3g82 s VAL 506 Cb -0.03 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.49 3g82 s VAL 506 CO 0.10 -0.19 0.16 0.26 -0.31 0.00 0.00 175.10 175.12 3g82 s TRP 507 N -0.86 -0.17 0.00 2.82 0.51 0.39 -4.99 118.94 116.64 3g82 s TRP 507 Ca -0.06 0.43 0.00 0.00 -2.12 0.00 0.00 56.10 54.36 3g82 s TRP 507 Cb -0.07 0.04 0.00 0.00 -0.81 0.00 0.00 33.47 32.63 3g82 s TRP 507 CO 0.00 -0.10 0.00 -1.13 -0.51 0.00 0.00 176.95 175.21 3g82 n SER 508 N 3.22 0.00 -0.19 2.95 3.41 -1.26 -0.33 113.62 121.41 3g82 n SER 508 Ca -0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.43 3g82 n SER 508 Cb 0.58 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.60 3g82 n SER 508 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g82 h ASN 509 N 0.00 0.44 -0.90 4.04 2.35 -1.99 0.81 115.58 120.34 3g82 h ASN 509 Ca 0.00 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3g82 h ASN 509 Cb 0.00 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.25 3g82 h ASN 509 CO 0.00 0.30 0.57 0.44 -1.65 0.00 0.00 177.43 177.08 3g82 h ASP 510 N 0.58 0.89 -0.43 5.81 3.32 -1.94 0.19 116.42 124.83 3g82 h ASP 510 Ca 0.26 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 3g82 h ASP 510 Cb 0.15 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3g82 h ASP 510 CO -0.17 0.56 -0.16 0.58 -1.72 0.00 0.00 179.24 178.33 3g82 h VAL 511 N 1.02 1.27 -0.61 -1.35 2.07 -1.66 -1.05 116.25 115.93 3g82 h VAL 511 Ca 0.39 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3g82 h VAL 511 Cb 0.18 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3g82 h VAL 511 CO -0.18 0.45 0.35 0.74 0.02 0.00 0.00 177.57 178.95 3g82 h THR 512 N 0.81 1.00 0.32 2.57 2.02 0.71 -2.85 112.91 117.50 3g82 h THR 512 Ca 0.12 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3g82 h THR 512 Cb 0.71 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3g82 h THR 512 CO 0.05 0.12 -0.16 0.25 0.37 0.00 0.00 175.52 176.16 3g82 h LEU 513 N 0.67 -0.37 -0.98 2.58 5.85 -0.30 -3.07 115.31 119.69 3g82 h LEU 513 Ca 0.26 -0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.29 3g82 h LEU 513 Cb 0.12 0.10 -0.18 0.00 0.37 0.00 0.00 40.66 41.06 3g82 h LEU 513 CO -0.15 -0.25 0.19 0.00 -0.34 0.00 0.00 178.44 177.89 3g82 h ALA 514 N 0.22 1.45 -0.22 1.25 0.00 -0.97 0.77 119.26 121.76 3g82 h ALA 514 Ca -0.04 0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3g82 h ALA 514 Cb 0.35 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3g82 h ALA 514 CO 0.07 -0.66 -0.22 -0.97 0.00 0.00 0.00 179.25 177.48 3g82 h ASN 515 N 0.03 0.39 1.91 0.00 -0.00 -1.45 -2.20 115.58 114.26 3g82 h ASN 515 Ca 0.66 -0.12 -0.02 0.00 -0.00 0.00 0.00 56.30 56.82 3g82 h ASN 515 Cb 1.48 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 39.70 3g82 h ASN 515 CO -0.85 0.62 -0.09 0.45 -0.00 0.00 0.00 177.43 177.56 3g82 h HIS 516 N 0.36 0.00 -0.18 0.67 3.86 0.50 -0.65 115.15 119.70 3g82 h HIS 516 Ca 0.06 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3g82 h HIS 516 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3g82 h HIS 516 CO 0.02 0.09 -0.02 0.52 0.86 0.00 0.00 177.93 179.39 3g82 h MET 517 N 0.00 0.34 0.03 2.45 2.86 -0.60 0.10 114.93 120.10 3g82 h MET 517 Ca -0.00 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3g82 h MET 517 Cb 1.07 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 3g82 h MET 517 CO 0.01 0.57 -0.16 1.49 1.06 0.00 0.00 176.91 179.88 3g82 h GLU 518 N 0.07 -0.27 0.03 1.72 4.22 -1.31 -1.98 114.58 117.07 3g82 h GLU 518 Ca 0.05 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.51 3g82 h GLU 518 Cb 0.43 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3g82 h GLU 518 CO 0.01 -0.18 -0.06 0.00 -2.18 0.00 0.00 179.01 176.60 3g82 h ALA 519 N 0.64 -0.09 -0.44 2.92 0.00 -1.06 -1.92 119.26 119.31 3g82 h ALA 519 Ca 0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 3g82 h ALA 519 Cb 0.33 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 3g82 h ALA 519 CO -0.13 -0.57 0.31 0.41 0.00 0.00 0.00 179.25 179.27 3g82 n GLY 520 N -1.17 3.29 0.17 0.00 0.00 0.34 -4.92 105.19 102.90 3g82 n GLY 520 Ca -0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 3g82 n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g82 n GLY 521 N -0.07 0.91 3.32 -0.02 0.00 -0.72 -4.70 105.19 103.90 3g82 n GLY 521 Ca 0.27 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 3g82 n GLY 521 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g82 s LYS 522 N -2.45 1.49 0.03 1.61 2.47 -1.26 -5.07 119.74 116.55 3g82 s LYS 522 Ca 0.03 -1.12 -0.30 0.00 -1.56 0.00 0.00 55.97 53.02 3g82 s LYS 522 Cb -0.00 -1.73 -0.08 0.00 -1.46 0.00 0.00 37.83 34.56 3g82 s LYS 522 CO 0.02 0.43 1.71 0.00 0.16 0.00 0.00 175.35 177.67 3g82 s ALA 523 N -0.91 3.65 -0.56 3.13 0.00 -1.26 -2.06 121.76 123.75 3g82 s ALA 523 Ca 0.10 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.21 3g82 s ALA 523 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3g82 s ALA 523 CO 0.03 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3g82 n GLY 524 N 4.13 0.72 3.32 0.00 0.00 0.40 -4.99 105.19 108.77 3g82 n GLY 524 Ca 0.17 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 3g82 n GLY 524 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g82 s ARG 525 N -1.95 1.27 -0.44 1.61 1.81 -0.87 -5.02 118.95 115.36 3g82 s ARG 525 Ca 0.00 -1.53 -0.11 0.00 -1.72 0.00 0.00 55.73 52.37 3g82 s ARG 525 Cb 0.00 -1.05 0.08 0.00 -0.45 0.00 0.00 34.95 33.53 3g82 s ARG 525 CO 0.00 0.18 0.30 0.42 -0.68 0.00 0.00 175.30 175.52 3g82 s ILE 526 N -2.89 4.44 -0.27 1.52 1.09 -1.26 -2.69 121.20 121.14 3g82 s ILE 526 Ca 0.20 -1.39 -0.22 0.00 -1.10 0.00 0.00 60.65 58.14 3g82 s ILE 526 Cb -0.01 -3.73 -0.01 0.00 -1.06 0.00 0.00 42.46 37.65 3g82 s ILE 526 CO 0.06 -0.57 0.73 -2.28 -0.10 0.00 0.00 174.94 172.78 3g82 s HIS 527 N 1.46 3.26 0.16 3.97 2.46 -0.82 -2.97 115.29 122.81 3g82 s HIS 527 Ca 0.04 0.87 0.09 0.00 0.47 0.00 0.00 55.06 56.53 3g82 s HIS 527 Cb -0.24 -3.03 -0.04 0.00 -0.13 0.00 0.00 32.58 29.14 3g82 s HIS 527 CO 0.03 -0.43 -0.20 0.96 -2.47 0.00 0.00 174.74 172.62 3g82 s ILE 528 N 2.74 1.96 0.42 0.89 -0.00 -0.96 0.61 121.20 126.85 3g82 s ILE 528 Ca 0.30 -1.89 0.00 0.00 -0.00 0.00 0.00 60.65 59.07 3g82 s ILE 528 Cb -0.15 -1.88 -0.01 0.00 -0.00 0.00 0.00 42.46 40.42 3g82 s ILE 528 CO 0.10 -0.21 0.63 -0.89 -0.00 0.00 0.00 174.94 174.57 3g82 s THR 529 N -1.78 4.34 0.29 8.37 2.01 -1.09 -1.21 115.64 126.57 3g82 s THR 529 Ca 0.16 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3g82 s THR 529 Cb -0.07 -3.60 0.28 0.00 0.01 0.00 0.00 72.50 69.12 3g82 s THR 529 CO 0.07 -0.41 1.75 0.07 -0.69 0.00 0.00 174.62 175.41 3g82 h LYS 530 N 0.51 0.62 -0.13 4.92 5.09 -1.89 -1.36 116.57 124.33 3g82 h LYS 530 Ca -0.47 -0.04 -0.13 0.00 0.09 0.00 0.00 60.65 60.11 3g82 h LYS 530 Cb 1.24 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 33.42 3g82 h LYS 530 CO 0.58 0.41 -0.47 0.00 -2.09 0.00 0.00 179.45 177.89 3g82 h ALA 531 N 1.64 0.96 -0.16 0.07 0.00 -1.90 -2.99 119.26 116.87 3g82 h ALA 531 Ca 0.54 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3g82 h ALA 531 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3g82 h ALA 531 CO -0.41 0.64 -0.49 1.15 0.00 0.00 0.00 179.25 180.14 3g82 h THR 532 N 0.26 1.33 -0.07 0.00 2.02 -1.51 -3.10 112.91 111.84 3g82 h THR 532 Ca 0.02 -1.72 -0.13 0.00 0.77 0.00 0.00 66.41 65.35 3g82 h THR 532 Cb 0.93 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 3g82 h THR 532 CO 0.08 0.53 -0.55 0.25 0.37 0.00 0.00 175.52 176.19 3g82 h LEU 533 N 0.35 0.22 -1.31 2.58 5.85 -1.29 -2.48 115.31 119.22 3g82 h LEU 533 Ca 0.02 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3g82 h LEU 533 Cb 0.99 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3g82 h LEU 533 CO 0.09 0.72 -0.29 0.77 -0.34 0.00 0.00 178.44 179.39 3g82 h SER 534 N 0.15 0.00 0.43 1.25 4.64 -1.45 -0.99 113.55 117.58 3g82 h SER 534 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g82 h SER 534 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3g82 h SER 534 CO 0.08 0.29 -0.38 -1.22 -0.87 0.00 0.00 176.83 174.74 3g82 n TYR 535 N -3.70 0.00 1.43 4.77 4.01 -1.17 -4.18 117.16 118.31 3g82 n TYR 535 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 3g82 n TYR 535 Cb 0.40 -0.22 0.49 0.00 -0.31 0.00 0.00 39.34 39.70 3g82 n TYR 535 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3g82 n LEU 536 N -1.20 1.56 -0.83 7.72 7.94 -0.38 -4.64 117.00 127.17 3g82 n LEU 536 Ca 0.08 -0.55 -0.08 0.00 -1.11 0.00 0.00 56.01 54.35 3g82 n LEU 536 Cb 0.34 -0.02 -0.04 0.00 0.53 0.00 0.00 43.42 44.23 3g82 n LEU 536 CO 0.31 0.27 -0.08 0.59 -1.11 0.00 0.00 177.39 177.38 3g82 n ASN 537 N 0.22 -3.86 -3.11 1.96 5.03 -1.22 -2.56 115.26 111.73 3g82 n ASN 537 Ca 0.18 0.21 -0.22 0.00 0.87 0.00 0.00 54.58 55.62 3g82 n ASN 537 Cb 0.35 -3.07 0.05 0.00 -1.02 0.00 0.00 39.78 36.09 3g82 n ASN 537 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3g82 n GLY 538 N 0.12 -0.48 0.09 7.41 0.00 -1.26 -4.91 105.19 106.16 3g82 n GLY 538 Ca -0.08 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3g82 n GLY 538 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g82 h ASP 539 N -1.80 0.00 -3.07 1.61 3.32 -1.88 -3.46 116.42 111.13 3g82 h ASP 539 Ca -0.53 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.90 3g82 h ASP 539 Cb 1.35 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.81 3g82 h ASP 539 CO 0.55 0.81 -0.62 -0.31 -1.72 0.00 0.00 179.24 177.94 3g82 s TYR 540 N -2.76 3.05 -0.32 4.55 1.51 -1.26 -5.09 117.35 117.02 3g82 s TYR 540 Ca -0.02 -0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 55.82 3g82 s TYR 540 Cb 0.09 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 3g82 s TYR 540 CO 0.81 0.50 0.60 -2.00 -1.11 0.00 0.00 175.55 174.36 3g82 s GLU 541 N -2.63 3.80 0.53 -0.62 2.12 -1.26 -5.03 118.70 115.61 3g82 s GLU 541 Ca 0.28 0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.83 3g82 s GLU 541 Cb -0.11 -3.76 0.04 0.00 0.26 0.00 0.00 34.13 30.56 3g82 s GLU 541 CO 0.20 -0.61 0.51 0.14 -0.54 0.00 0.00 175.26 174.96 3g82 s VAL 542 N 2.58 1.99 0.01 3.70 -7.23 -1.26 -1.24 120.40 118.95 3g82 s VAL 542 Ca 0.23 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 58.96 3g82 s VAL 542 Cb -0.15 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.50 3g82 s VAL 542 CO 0.13 0.00 0.26 -1.83 -0.31 0.00 0.00 175.10 173.35 3g82 s GLU 543 N -4.36 0.68 -0.39 4.82 -1.05 -0.52 -4.89 118.70 112.99 3g82 s GLU 543 Ca 0.45 -0.39 -0.41 0.00 -0.15 0.00 0.00 54.97 54.47 3g82 s GLU 543 Cb -0.03 0.30 -0.16 0.00 -0.44 0.00 0.00 34.13 33.79 3g82 s GLU 543 CO 0.27 -0.20 1.98 -2.30 0.95 0.00 0.00 175.26 175.97 3g82 n PRO 544 N 1.00 0.65 0.09 -4.83 -0.02 -1.26 0.13 135.00 130.75 3g82 n PRO 544 Ca -0.20 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 3g82 n PRO 544 Cb 0.57 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.96 3g82 n PRO 544 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3g82 h GLY 545 N 9.04 0.27 -5.82 -1.23 0.00 -1.31 -3.44 103.07 100.58 3g82 h GLY 545 Ca -0.29 -0.68 -0.38 0.00 0.00 0.00 0.00 47.33 45.98 3g82 h GLY 545 CO 1.02 0.60 -0.74 0.00 0.00 0.00 0.00 176.54 177.42 3g82 h GLY 547 N -2.23 0.00 0.60 0.00 0.00 -1.85 -1.37 103.07 98.22 3g82 h GLY 547 Ca -0.58 0.00 0.16 0.00 0.00 0.00 0.00 47.33 46.91 3g82 h GLY 547 CO 0.54 0.00 0.52 -1.33 0.00 0.00 0.00 176.54 176.28 3g82 h GLY 548 N 0.00 0.72 -2.55 4.60 0.00 -1.80 -0.45 103.07 103.59 3g82 h GLY 548 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3g82 h GLY 548 CO -0.00 0.05 0.00 -1.84 0.00 0.00 0.00 176.54 174.75 3g82 n GLU 549 N -4.48 3.30 0.00 4.80 0.28 -0.52 -4.17 120.64 119.86 3g82 n GLU 549 Ca 0.15 -2.15 0.00 0.00 -0.16 0.00 0.00 57.16 55.01 3g82 n GLU 549 Cb 0.57 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.59 3g82 n GLU 549 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3g82 n ARG 550 N 0.64 1.41 -4.61 3.44 0.63 -0.33 -5.08 116.66 112.77 3g82 n ARG 550 Ca 0.19 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.89 3g82 n ARG 550 Cb 0.78 -0.72 -0.14 0.00 0.45 0.00 0.00 32.46 32.82 3g82 n ARG 550 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3g82 s ASN 551 N -2.24 1.99 0.30 6.15 3.84 -0.33 -4.73 114.94 119.93 3g82 s ASN 551 Ca 0.00 -0.41 0.15 0.00 0.21 0.00 0.00 52.86 52.82 3g82 s ASN 551 Cb 0.00 -0.18 0.33 0.00 -0.55 0.00 0.00 41.25 40.85 3g82 s ASN 551 CO 0.00 0.14 1.57 0.00 -2.79 0.00 0.00 177.10 176.02 3g82 h ALA 552 N 5.25 0.80 -0.08 1.71 0.00 -1.87 -2.87 119.26 122.22 3g82 h ALA 552 Ca -0.38 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 53.86 3g82 h ALA 552 Cb 1.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3g82 h ALA 552 CO 0.46 0.66 -0.75 -0.92 0.00 0.00 0.00 179.25 178.69 3g82 h TYR 553 N 0.00 0.58 -0.08 0.00 5.03 -1.94 -2.60 116.97 117.96 3g82 h TYR 553 Ca -0.01 -0.26 -0.18 0.00 2.58 0.00 0.00 58.73 60.86 3g82 h TYR 553 Cb 1.19 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 3g82 h TYR 553 CO 0.00 1.03 -0.71 -0.07 -1.32 0.00 0.00 178.16 177.09 3g82 h LEU 554 N 0.29 0.46 0.39 2.82 3.38 -1.83 -3.15 115.31 117.66 3g82 h LEU 554 Ca -0.04 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3g82 h LEU 554 Cb 1.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3g82 h LEU 554 CO 0.13 1.03 -0.19 0.50 0.09 0.00 0.00 178.44 180.00 3g82 h LYS 555 N 0.27 -0.51 0.00 1.13 1.63 -1.57 -2.77 116.57 114.75 3g82 h LYS 555 Ca -0.03 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3g82 h LYS 555 Cb 1.27 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 3g82 h LYS 555 CO 0.12 -0.21 0.00 0.39 -3.45 0.00 0.00 179.45 176.30 3g82 n GLU 556 N -5.15 0.08 -0.34 1.90 1.02 -0.98 -0.34 120.64 116.83 3g82 n GLU 556 Ca -0.09 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.08 3g82 n GLU 556 Cb 0.27 -1.21 0.03 0.00 -0.02 0.00 0.00 31.44 30.52 3g82 n GLU 556 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g82 n HIS 557 N -0.71 0.00 -1.20 -0.32 8.25 -1.19 -5.02 115.22 115.03 3g82 n HIS 557 Ca 0.01 -0.26 -0.10 0.00 -0.26 0.00 0.00 57.72 57.11 3g82 n HIS 557 Cb 0.00 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 3g82 n HIS 557 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3g82 n SER 558 N -0.37 -3.25 -4.70 0.41 7.64 0.54 -4.89 113.62 109.00 3g82 n SER 558 Ca 0.04 0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.74 3g82 n SER 558 Cb 0.66 -2.87 -0.03 0.00 -1.01 0.00 0.00 64.21 60.95 3g82 n SER 558 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3g82 s ILE 559 N -1.74 3.00 -0.28 0.44 1.01 -1.05 -4.99 121.20 117.59 3g82 s ILE 559 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 3g82 s ILE 559 Cb 0.00 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 3g82 s ILE 559 CO 0.00 0.02 0.14 -1.61 0.00 0.00 0.00 174.94 173.50 3g82 s GLU 560 N 1.87 3.64 0.31 2.79 2.02 -1.26 -4.50 118.70 123.57 3g82 s GLU 560 Ca 0.70 -0.51 0.07 0.00 0.02 0.00 0.00 54.97 55.25 3g82 s GLU 560 Cb -0.40 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 3g82 s GLU 560 CO 0.31 -0.27 0.26 0.95 0.02 0.00 0.00 175.26 176.53 3g82 s THR 561 N 1.67 3.83 0.25 3.63 -4.23 -1.26 -2.67 115.64 116.86 3g82 s THR 561 Ca 0.06 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3g82 s THR 561 Cb -0.16 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 3g82 s THR 561 CO 0.07 -0.23 0.14 -0.36 -0.54 0.00 0.00 174.62 173.70 3g82 s PHE 562 N -2.25 1.42 -0.04 3.99 0.40 -0.35 -1.04 117.98 120.11 3g82 s PHE 562 Ca 0.38 -1.35 -0.01 0.00 -0.60 0.00 0.00 56.93 55.35 3g82 s PHE 562 Cb -0.06 -0.74 0.03 0.00 0.51 0.00 0.00 43.02 42.76 3g82 s PHE 562 CO 0.26 -0.55 0.03 -0.51 0.70 0.00 0.00 175.22 175.15 3g82 s LEU 563 N -3.27 0.55 0.30 -0.37 1.43 0.12 -2.26 118.68 115.19 3g82 s LEU 563 Ca 0.38 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 3g82 s LEU 563 Cb 0.06 -0.21 -0.11 0.00 0.03 0.00 0.00 46.19 45.97 3g82 s LEU 563 CO 0.15 -0.19 1.47 -0.63 0.23 0.00 0.00 176.35 177.38 3g82 s ILE 564 N 1.76 2.38 -1.42 -0.59 -1.09 -1.16 -1.44 121.20 119.64 3g82 s ILE 564 Ca 0.00 0.34 0.11 0.00 -2.23 0.00 0.00 60.65 58.87 3g82 s ILE 564 Cb -0.12 -3.22 0.09 0.00 -1.58 0.00 0.00 42.46 37.63 3g82 s ILE 564 CO -0.03 0.06 0.86 0.18 -1.23 0.00 0.00 174.94 174.78