#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h6g n SER 393 N 0.00 0.09 -0.79 1.67 3.41 -1.26 -2.50 113.62 114.24 1h6g n SER 393 Ca 0.00 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1h6g n SER 393 Cb 0.00 -0.53 0.27 0.00 -0.26 0.00 0.00 64.21 63.68 1h6g n SER 393 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1h6g n PHE 394 N -1.59 0.04 -0.05 7.33 3.01 -1.26 -3.27 117.46 121.67 1h6g n PHE 394 Ca 0.06 -0.02 -0.07 0.00 1.01 0.00 0.00 57.45 58.43 1h6g n PHE 394 Cb 0.32 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.65 1h6g n PHE 394 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1h6g n LEU 395 N 0.91 0.44 -4.65 4.37 4.77 -1.04 -4.23 117.00 117.57 1h6g n LEU 395 Ca 0.16 0.21 -0.46 0.00 -0.03 0.00 0.00 56.01 55.89 1h6g n LEU 395 Cb 0.50 0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 1h6g n LEU 395 CO 0.15 0.40 1.61 1.21 -1.33 0.00 0.00 177.39 179.43 1h6g n GLU 396 N -2.86 2.33 -0.00 3.23 0.00 -1.17 -4.51 120.64 117.66 1h6g n GLU 396 Ca -0.23 0.82 0.04 0.00 0.00 0.00 0.00 57.16 57.80 1h6g n GLU 396 Cb 1.06 -2.85 -0.06 0.00 0.00 0.00 0.00 31.44 29.59 1h6g n GLU 396 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1h6g n THR 397 N 5.81 0.00 -0.06 6.31 -2.24 -1.26 -4.59 114.28 118.24 1h6g n THR 397 Ca 0.24 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1h6g n THR 397 Cb 0.35 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 1h6g n THR 397 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1h6g h ASN 398 N 0.00 0.67 0.40 3.42 -0.26 -1.99 -2.67 115.58 115.14 1h6g h ASN 398 Ca 0.00 -0.55 -0.02 0.00 -0.56 0.00 0.00 56.30 55.17 1h6g h ASN 398 Cb 0.27 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1h6g h ASN 398 CO 0.00 1.09 -0.19 0.58 -1.06 0.00 0.00 177.43 177.85 1h6g h VAL 399 N 0.27 0.61 -0.80 2.81 2.07 -2.00 -0.43 116.25 118.78 1h6g h VAL 399 Ca 0.01 -0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1h6g h VAL 399 Cb 0.97 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1h6g h VAL 399 CO 0.08 0.00 0.54 -0.65 0.02 0.00 0.00 177.57 177.56 1h6g h PRO 400 N -0.53 0.36 -0.37 1.57 0.11 -1.81 0.12 132.00 131.44 1h6g h PRO 400 Ca -0.05 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 1h6g h PRO 400 Cb 0.41 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1h6g h PRO 400 CO 0.09 0.24 -0.10 1.25 -0.21 0.00 0.00 178.00 179.27 1h6g h LEU 401 N 0.37 0.72 -0.70 2.35 5.85 -1.01 0.96 115.31 123.85 1h6g h LEU 401 Ca 0.40 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1h6g h LEU 401 Cb 1.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1h6g h LEU 401 CO -0.13 0.92 0.34 -0.07 -0.34 0.00 0.00 178.44 179.16 1h6g h LEU 402 N 0.52 0.92 -0.43 2.25 3.38 0.58 0.63 115.31 123.15 1h6g h LEU 402 Ca 0.09 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1h6g h LEU 402 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1h6g h LEU 402 CO 0.04 0.80 -0.22 0.58 0.09 0.00 0.00 178.44 179.72 1h6g h VAL 403 N 0.98 1.28 -0.53 1.22 2.07 -0.67 -1.77 116.25 118.83 1h6g h VAL 403 Ca 0.24 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1h6g h VAL 403 Cb 0.12 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1h6g h VAL 403 CO -0.03 0.46 0.33 0.25 0.02 0.00 0.00 177.57 178.61 1h6g h LEU 404 N 0.73 0.56 -0.40 2.57 5.85 -0.39 -0.37 115.31 123.86 1h6g h LEU 404 Ca 0.09 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1h6g h LEU 404 Cb 0.79 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1h6g h LEU 404 CO 0.07 0.40 0.07 0.40 -0.34 0.00 0.00 178.44 179.03 1h6g h ILE 405 N 0.67 1.24 -0.96 4.05 2.04 -0.79 -1.01 117.51 122.75 1h6g h ILE 405 Ca 0.20 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1h6g h ILE 405 Cb -0.03 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1h6g h ILE 405 CO -0.07 0.29 0.64 -0.08 0.00 0.00 0.00 178.15 178.93 1h6g h GLU 406 N 0.50 1.25 -0.67 2.37 4.57 -0.94 0.47 114.58 122.14 1h6g h GLU 406 Ca 0.12 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1h6g h GLU 406 Cb 0.36 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1h6g h GLU 406 CO 0.01 0.83 0.18 0.00 -1.18 0.00 0.00 179.01 178.84 1h6g h ALA 407 N 1.41 0.88 -0.30 2.92 0.00 -0.76 -2.43 119.26 120.98 1h6g h ALA 407 Ca 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1h6g h ALA 407 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1h6g h ALA 407 CO -0.08 0.59 0.02 0.00 0.00 0.00 0.00 179.25 179.78 1h6g h ALA 408 N 1.07 0.40 -0.82 0.00 0.00 0.21 -1.69 119.26 118.42 1h6g h ALA 408 Ca 0.21 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1h6g h ALA 408 Cb 0.34 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1h6g h ALA 408 CO -0.00 0.12 0.54 0.87 0.00 0.00 0.00 179.25 180.77 1h6g h LYS 409 N 0.31 0.61 -0.86 0.00 1.57 0.07 0.24 116.57 118.52 1h6g h LYS 409 Ca 0.09 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1h6g h LYS 409 Cb 0.39 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1h6g h LYS 409 CO 0.01 0.40 0.06 0.09 -0.57 0.00 0.00 179.45 179.45 1h6g n ASN 410 N -4.52 3.16 -0.77 0.86 3.02 -0.93 -4.83 115.26 111.25 1h6g n ASN 410 Ca 0.15 -2.48 -0.08 0.00 -0.03 0.00 0.00 54.58 52.14 1h6g n ASN 410 Cb 0.44 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1h6g n ASN 410 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h6g n GLY 411 N 0.17 0.77 3.54 7.41 0.00 0.85 -4.87 105.19 113.04 1h6g n GLY 411 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1h6g n GLY 411 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h6g s ASN 412 N -1.88 6.73 0.54 1.61 3.84 -0.66 -4.83 114.94 120.29 1h6g s ASN 412 Ca 0.00 -2.12 0.22 0.00 0.21 0.00 0.00 52.86 51.16 1h6g s ASN 412 Cb 0.00 -2.53 1.49 0.00 -0.55 0.00 0.00 41.25 39.66 1h6g s ASN 412 CO 0.00 -1.21 2.18 -0.33 -2.79 0.00 0.00 177.10 174.95 1h6g h GLU 413 N 8.46 0.00 -0.10 0.43 5.08 -1.85 -1.93 114.58 124.68 1h6g h GLU 413 Ca 0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1h6g h GLU 413 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1h6g h GLU 413 CO 1.37 0.01 -0.36 0.87 -1.00 0.00 0.00 179.01 179.91 1h6g h LYS 414 N 0.00 0.41 0.00 2.33 1.79 -1.96 -1.48 116.57 117.67 1h6g h LYS 414 Ca -0.00 -0.32 -0.06 0.00 -2.18 0.00 0.00 60.65 58.09 1h6g h LYS 414 Cb 0.03 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1h6g h LYS 414 CO 0.00 0.95 -0.29 0.93 -1.08 0.00 0.00 179.45 179.96 1h6g h GLU 415 N -0.03 0.00 0.10 3.15 5.08 -1.89 -2.97 114.58 118.04 1h6g h GLU 415 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1h6g h GLU 415 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1h6g h GLU 415 CO 0.08 0.29 -0.05 0.28 -1.00 0.00 0.00 179.01 178.60 1h6g h VAL 416 N 0.00 1.11 -0.20 3.13 2.07 -1.16 0.21 116.25 121.41 1h6g h VAL 416 Ca -0.00 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1h6g h VAL 416 Cb 0.62 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1h6g h VAL 416 CO 0.04 0.23 0.13 0.50 0.02 0.00 0.00 177.57 178.49 1h6g h LYS 417 N -0.62 0.20 -0.00 1.57 3.11 -1.28 0.29 116.57 119.84 1h6g h LYS 417 Ca -0.01 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1h6g h LYS 417 Cb 0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1h6g h LYS 417 CO 0.02 0.14 -0.03 0.93 -2.81 0.00 0.00 179.45 177.69 1h6g h GLU 418 N 0.21 0.03 0.00 1.90 5.08 -1.41 -3.03 114.58 117.36 1h6g h GLU 418 Ca 0.08 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1h6g h GLU 418 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1h6g h GLU 418 CO -0.02 0.77 -0.27 1.88 -1.00 0.00 0.00 179.01 180.38 1h6g h TYR 419 N -0.71 0.00 -0.63 4.33 0.05 -0.31 -2.45 116.97 117.25 1h6g h TYR 419 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1h6g h TYR 419 Cb 0.78 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 1h6g h TYR 419 CO 0.19 0.27 0.18 0.00 -1.05 0.00 0.00 178.16 177.75 1h6g h ALA 420 N 1.73 0.83 -0.63 3.88 0.00 -0.43 -0.59 119.26 124.06 1h6g h ALA 420 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1h6g h ALA 420 Cb 0.74 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1h6g h ALA 420 CO 0.03 0.52 0.31 1.96 0.00 0.00 0.00 179.25 182.08 1h6g h GLN 421 N 0.92 0.89 -0.38 0.00 4.20 -1.32 -0.69 115.11 118.73 1h6g h GLN 421 Ca 0.20 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1h6g h GLN 421 Cb 0.32 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1h6g h GLN 421 CO -0.00 0.70 0.19 0.28 -0.67 0.00 0.00 178.83 179.33 1h6g h VAL 422 N 0.86 1.16 -0.46 -0.54 2.07 -1.16 -0.53 116.25 117.65 1h6g h VAL 422 Ca 0.22 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1h6g h VAL 422 Cb 0.09 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1h6g h VAL 422 CO -0.03 0.17 0.28 0.15 0.02 0.00 0.00 177.57 178.16 1h6g h PHE 423 N 0.48 0.52 -0.44 1.57 3.57 -0.65 -1.16 116.94 120.83 1h6g h PHE 423 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1h6g h PHE 423 Cb 0.10 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1h6g h PHE 423 CO -0.02 0.31 0.25 -0.09 -2.23 0.00 0.00 178.31 176.53 1h6g h ARG 424 N 0.56 0.61 0.12 1.11 2.43 -0.97 -0.32 114.38 117.92 1h6g h ARG 424 Ca 0.18 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1h6g h ARG 424 Cb -0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1h6g h ARG 424 CO -0.07 0.48 -0.21 1.49 -1.51 0.00 0.00 179.97 180.15 1h6g h GLU 425 N 0.58 -0.38 -0.69 0.20 4.57 -0.51 0.11 114.58 118.46 1h6g h GLU 425 Ca 0.16 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1h6g h GLU 425 Cb 0.04 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1h6g h GLU 425 CO -0.03 -0.25 0.34 0.45 -1.18 0.00 0.00 179.01 178.34 1h6g h HIS 426 N -0.40 0.98 -0.39 0.92 3.86 -1.03 0.16 115.15 119.25 1h6g h HIS 426 Ca 0.02 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1h6g h HIS 426 Cb 0.41 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1h6g h HIS 426 CO -0.19 0.71 0.19 0.00 0.86 0.00 0.00 177.93 179.49 1h6g h ALA 427 N 1.39 0.50 -0.42 2.45 0.00 -0.73 0.21 119.26 122.66 1h6g h ALA 427 Ca 0.24 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1h6g h ALA 427 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1h6g h ALA 427 CO -0.03 0.06 -0.04 -0.91 0.00 0.00 0.00 179.25 178.34 1h6g h ASN 428 N 0.49 0.68 -0.36 0.00 2.35 -0.01 -0.88 115.58 117.86 1h6g h ASN 428 Ca 0.13 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1h6g h ASN 428 Cb 0.12 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1h6g h ASN 428 CO -0.02 0.77 0.22 0.50 -1.65 0.00 0.00 177.43 177.26 1h6g h LYS 429 N 0.66 0.48 -0.38 0.81 1.63 -0.20 0.61 116.57 120.18 1h6g h LYS 429 Ca 0.13 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 1h6g h LYS 429 Cb 0.46 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1h6g h LYS 429 CO 0.02 0.35 -0.07 1.25 -3.45 0.00 0.00 179.45 177.55 1h6g h LEU 430 N 0.47 0.61 -0.41 5.20 5.85 -0.27 -1.83 115.31 124.93 1h6g h LEU 430 Ca 0.13 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 1h6g h LEU 430 Cb -0.01 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1h6g h LEU 430 CO -0.03 0.73 -0.63 0.40 -0.34 0.00 0.00 178.44 178.57 1h6g h ILE 431 N 0.59 1.32 0.53 4.05 2.04 -0.82 -1.77 117.51 123.45 1h6g h ILE 431 Ca 0.11 -1.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1h6g h ILE 431 Cb 0.47 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1h6g h ILE 431 CO 0.02 0.59 -0.40 -0.08 0.00 0.00 0.00 178.15 178.28 1h6g h GLU 432 N 0.44 -0.86 -0.86 2.37 4.81 -0.53 -1.87 114.58 118.09 1h6g h GLU 432 Ca -0.01 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.45 1h6g h GLU 432 Cb 1.20 0.20 -0.11 0.00 0.63 0.00 0.00 28.75 30.67 1h6g h GLU 432 CO 0.12 -0.58 0.41 0.28 -0.73 0.00 0.00 179.01 178.51 1h6g h VAL 433 N -0.90 0.62 -0.55 0.32 2.07 -1.37 -1.34 116.25 115.10 1h6g h VAL 433 Ca -0.07 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1h6g h VAL 433 Cb 0.74 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1h6g h VAL 433 CO 0.02 0.09 0.33 0.00 0.02 0.00 0.00 177.57 178.03 1h6g h ALA 434 N 1.62 0.71 -0.21 1.67 0.00 -0.99 0.77 119.26 122.84 1h6g h ALA 434 Ca 0.50 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 1h6g h ALA 434 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1h6g h ALA 434 CO -0.43 0.04 -0.36 -0.91 0.00 0.00 0.00 179.25 177.59 1h6g h ASN 435 N 0.65 0.46 -0.44 0.00 2.35 -0.50 -0.89 115.58 117.21 1h6g h ASN 435 Ca 0.23 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1h6g h ASN 435 Cb 0.04 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1h6g h ASN 435 CO -0.11 0.79 0.13 0.25 -1.65 0.00 0.00 177.43 176.84 1h6g h LEU 436 N 0.38 0.65 -1.23 1.61 5.85 -0.79 -1.17 115.31 120.61 1h6g h LEU 436 Ca 0.04 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1h6g h LEU 436 Cb 0.81 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1h6g h LEU 436 CO 0.07 0.69 0.42 0.00 -0.34 0.00 0.00 178.44 179.27 1h6g h ALA 437 N 0.98 1.42 -0.65 1.25 0.00 -0.57 -2.45 119.26 119.25 1h6g h ALA 437 Ca 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1h6g h ALA 437 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1h6g h ALA 437 CO -0.00 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.85 1h6g h SER 439 N 0.99 0.02 -0.27 0.00 4.64 -0.74 -3.00 113.55 115.19 1h6g h SER 439 Ca 0.20 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1h6g h SER 439 Cb 0.43 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1h6g h SER 439 CO 0.01 0.29 0.00 2.30 -0.87 0.00 0.00 176.83 178.56 1h6g n ILE 440 N -4.21 0.34 -3.29 0.95 -5.35 -1.18 -4.97 119.36 101.64 1h6g n ILE 440 Ca -0.02 -0.67 -0.22 0.00 -0.27 0.00 0.00 62.75 61.57 1h6g n ILE 440 Cb 0.32 1.16 -0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1h6g n ILE 440 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1h6g s SER 441 N -1.64 6.07 0.00 7.28 0.15 -1.11 -5.02 113.70 119.44 1h6g s SER 441 Ca 0.35 0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.28 1h6g s SER 441 Cb 0.22 -1.70 0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1h6g s SER 441 CO 0.31 -0.45 0.50 0.59 1.20 0.00 0.00 173.24 175.38 1h6g n ASN 442 N -1.84 1.02 -4.46 5.45 4.13 -1.26 -4.94 115.26 113.36 1h6g n ASN 442 Ca -0.02 -1.01 -0.43 0.00 1.68 0.00 0.00 54.58 54.80 1h6g n ASN 442 Cb 0.57 0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.98 1h6g n ASN 442 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1h6g s ASN 443 N -0.45 6.28 0.10 6.41 3.84 -1.26 -4.66 114.94 125.21 1h6g s ASN 443 Ca 0.03 -1.21 -0.33 0.00 0.21 0.00 0.00 52.86 51.57 1h6g s ASN 443 Cb 0.02 -2.43 -0.13 0.00 -0.55 0.00 0.00 41.25 38.17 1h6g s ASN 443 CO 0.05 -1.38 1.58 1.05 -2.79 0.00 0.00 177.10 175.61 1h6g h GLU 444 N 9.45 -0.73 -0.91 0.43 4.11 -1.97 0.43 114.58 125.38 1h6g h GLU 444 Ca -0.17 0.05 0.12 0.00 0.07 0.00 0.00 59.36 59.42 1h6g h GLU 444 Cb 1.06 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 1h6g h GLU 444 CO 1.18 -0.49 0.54 1.05 0.07 0.00 0.00 179.01 181.37 1h6g h GLU 445 N -0.76 0.83 -0.02 1.06 9.09 -2.00 -0.42 114.58 122.36 1h6g h GLU 445 Ca -0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.35 1h6g h GLU 445 Cb 0.73 -0.19 -0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1h6g h GLU 445 CO -0.18 0.55 0.01 0.78 0.05 0.00 0.00 179.01 180.22 1h6g h GLY 446 N 0.86 0.04 0.65 1.06 0.00 -1.88 -2.53 103.07 101.26 1h6g h GLY 446 Ca 0.46 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.87 1h6g h GLY 446 CO -0.28 0.02 0.61 -2.08 0.00 0.00 0.00 176.54 174.81 1h6g h VAL 447 N -0.16 0.98 -0.62 4.60 2.07 -0.21 -0.66 116.25 122.25 1h6g h VAL 447 Ca 0.01 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1h6g h VAL 447 Cb 0.20 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1h6g h VAL 447 CO -0.00 0.18 0.13 0.11 0.02 0.00 0.00 177.57 178.00 1h6g h LYS 448 N 0.98 1.00 -0.21 1.57 1.57 -0.93 -1.16 116.57 119.39 1h6g h LYS 448 Ca 0.44 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1h6g h LYS 448 Cb 0.39 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1h6g h LYS 448 CO -0.20 0.93 -0.22 1.25 -0.57 0.00 0.00 179.45 180.63 1h6g h LEU 449 N 0.91 0.37 -0.18 2.94 5.85 -0.86 -2.97 115.31 121.38 1h6g h LEU 449 Ca 0.19 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1h6g h LEU 449 Cb 0.39 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1h6g h LEU 449 CO 0.01 0.61 -0.24 0.58 -0.34 0.00 0.00 178.44 179.06 1h6g h VAL 450 N 0.34 1.34 0.00 1.05 2.07 -0.78 -2.25 116.25 118.02 1h6g h VAL 450 Ca 0.06 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1h6g h VAL 450 Cb 0.58 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1h6g h VAL 450 CO 0.04 0.43 0.00 0.54 0.02 0.00 0.00 177.57 178.60 1h6g n ARG 451 N -4.43 0.16 0.00 1.57 1.74 -0.47 0.15 116.66 115.38 1h6g n ARG 451 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1h6g n ARG 451 Cb 0.43 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1h6g n ARG 451 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1h6g n SER 453 N 0.63 0.00 -0.10 0.55 2.88 -0.85 -1.28 113.62 115.46 1h6g n SER 453 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1h6g n SER 453 Cb 0.05 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.48 1h6g n SER 453 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h6g h ALA 454 N 0.00 0.38 0.00 -1.46 0.00 -0.54 -2.38 119.26 115.27 1h6g h ALA 454 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1h6g h ALA 454 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1h6g h ALA 454 CO 0.00 0.16 -0.35 0.66 0.00 0.00 0.00 179.25 179.72 1h6g h SER 455 N 0.29 0.00 -0.45 0.00 4.64 -1.44 -0.14 113.55 116.45 1h6g h SER 455 Ca 0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 1h6g h SER 455 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1h6g h SER 455 CO 0.02 0.35 -0.13 1.56 -0.87 0.00 0.00 176.83 177.77 1h6g h GLN 456 N 0.00 0.88 -0.51 4.77 4.20 -1.77 -1.91 115.11 120.77 1h6g h GLN 456 Ca -0.00 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 1h6g h GLN 456 Cb 0.70 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1h6g h GLN 456 CO 0.05 0.99 0.13 1.25 -0.67 0.00 0.00 178.83 180.57 1h6g h LEU 457 N 0.72 0.72 -0.66 1.46 5.85 -0.84 -1.31 115.31 121.25 1h6g h LEU 457 Ca 0.11 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1h6g h LEU 457 Cb 0.68 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1h6g h LEU 457 CO 0.05 0.71 0.10 -0.08 -0.34 0.00 0.00 178.44 178.88 1h6g h GLU 458 N 0.75 1.09 -0.13 1.25 4.57 -0.81 0.16 114.58 121.47 1h6g h GLU 458 Ca 0.17 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 57.93 1h6g h GLU 458 Cb 0.28 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1h6g h GLU 458 CO -0.00 1.01 -0.45 0.00 -1.18 0.00 0.00 179.01 178.38 1h6g h ALA 459 N 1.04 1.00 -0.10 2.92 0.00 -1.03 -3.23 119.26 119.86 1h6g h ALA 459 Ca 0.20 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1h6g h ALA 459 Cb 0.45 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1h6g h ALA 459 CO 0.01 0.63 -0.85 -0.07 0.00 0.00 0.00 179.25 178.98 1h6g h LEU 460 N 0.25 0.85 -0.62 0.00 3.38 -0.79 -3.38 115.31 115.00 1h6g h LEU 460 Ca 0.02 -0.59 0.10 0.00 0.09 0.00 0.00 57.88 57.50 1h6g h LEU 460 Cb 0.90 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 1h6g h LEU 460 CO 0.07 1.38 -0.38 0.00 0.09 0.00 0.00 178.44 179.61 1h6g h PRO 462 N -0.17 0.31 -0.59 0.00 0.13 -1.77 -1.83 132.00 128.08 1h6g h PRO 462 Ca 0.22 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 1h6g h PRO 462 Cb 0.56 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1h6g h PRO 462 CO -0.71 0.40 0.13 1.96 -0.23 0.00 0.00 178.00 179.55 1h6g h GLN 463 N 0.30 0.95 -0.30 0.86 4.20 -1.44 0.11 115.11 119.79 1h6g h GLN 463 Ca 0.06 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1h6g h GLN 463 Cb 0.32 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1h6g h GLN 463 CO 0.02 0.88 0.18 0.28 -0.67 0.00 0.00 178.83 179.51 1h6g h VAL 464 N 0.85 1.11 -0.57 -0.54 2.07 -1.01 0.76 116.25 118.93 1h6g h VAL 464 Ca 0.18 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1h6g h VAL 464 Cb 0.37 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1h6g h VAL 464 CO 0.01 0.11 0.07 0.40 0.02 0.00 0.00 177.57 178.18 1h6g h ILE 465 N 0.38 1.25 -0.32 4.57 2.04 -1.02 -1.15 117.51 123.25 1h6g h ILE 465 Ca 0.11 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1h6g h ILE 465 Cb 0.02 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1h6g h ILE 465 CO -0.02 0.36 -0.03 0.78 0.00 0.00 0.00 178.15 179.25 1h6g h ASN 466 N 0.88 0.58 -0.93 1.72 -0.26 -0.19 -1.00 115.58 116.38 1h6g h ASN 466 Ca 0.18 -0.33 0.10 0.00 -0.56 0.00 0.00 56.30 55.69 1h6g h ASN 466 Cb 0.42 -0.16 -0.08 0.00 -1.06 0.00 0.00 38.32 37.44 1h6g h ASN 466 CO 0.01 0.77 0.57 0.00 -1.06 0.00 0.00 177.43 177.73 1h6g h ALA 467 N 0.83 1.37 -0.37 -0.83 0.00 -0.62 0.17 119.26 119.80 1h6g h ALA 467 Ca 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1h6g h ALA 467 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1h6g h ALA 467 CO 0.02 0.20 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 1h6g h ALA 468 N 1.50 1.09 -0.30 0.00 0.00 -0.69 -0.96 119.26 119.90 1h6g h ALA 468 Ca 0.45 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1h6g h ALA 468 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1h6g h ALA 468 CO -0.25 0.56 -0.25 -0.07 0.00 0.00 0.00 179.25 179.25 1h6g h LEU 469 N 0.60 0.73 -1.19 0.00 3.38 0.27 -1.02 115.31 118.08 1h6g h LEU 469 Ca 0.11 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1h6g h LEU 469 Cb 0.56 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1h6g h LEU 469 CO 0.03 1.03 0.26 0.00 0.09 0.00 0.00 178.44 179.85 1h6g h ALA 470 N 0.72 1.37 -0.11 1.53 0.00 -0.58 -0.26 119.26 121.93 1h6g h ALA 470 Ca 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1h6g h ALA 470 Cb 0.81 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h6g h ALA 470 CO 0.06 0.49 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 1h6g h LEU 471 N 0.82 0.22 -1.54 0.00 5.85 -1.05 -2.38 115.31 117.22 1h6g h LEU 471 Ca 0.20 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1h6g h LEU 471 Cb 0.12 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1h6g h LEU 471 CO -0.02 0.54 0.10 0.00 -0.34 0.00 0.00 178.44 178.71 1h6g h ALA 472 N 0.69 1.64 -0.47 1.25 0.00 -0.80 0.29 119.26 121.87 1h6g h ALA 472 Ca 0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1h6g h ALA 472 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h6g h ALA 472 CO 0.01 0.28 -0.18 0.00 0.00 0.00 0.00 179.25 179.36 1h6g h ALA 473 N 1.71 0.79 -2.51 0.00 0.00 -0.83 -3.38 119.26 115.05 1h6g h ALA 473 Ca 0.10 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 54.05 1h6g h ALA 473 Cb 0.11 -0.17 -0.40 0.00 0.00 0.00 0.00 17.79 17.33 1h6g h ALA 473 CO -0.01 0.66 -0.85 1.63 0.00 0.00 0.00 179.25 180.68 1h6g n LYS 474 N -4.12 0.94 0.19 0.00 5.02 -0.60 -4.97 118.16 114.61 1h6g n LYS 474 Ca 0.01 -3.69 0.14 0.00 -2.02 0.00 0.00 58.31 52.74 1h6g n LYS 474 Cb 0.43 -1.84 0.62 0.00 -0.02 0.00 0.00 35.03 34.22 1h6g n LYS 474 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1h6g h PRO 475 N 5.21 0.00 0.00 1.97 0.13 -1.16 -1.65 132.00 136.50 1h6g h PRO 475 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1h6g h PRO 475 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1h6g h PRO 475 CO 0.52 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.25 1h6g h GLN 476 N 0.00 0.00 -6.28 0.86 1.08 -1.92 -3.45 115.11 105.40 1h6g h GLN 476 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1h6g h GLN 476 Cb 0.29 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1h6g h GLN 476 CO 0.00 0.00 1.18 0.45 -0.95 0.00 0.00 178.83 179.51 1h6g s SER 477 N -4.95 6.22 0.22 1.46 0.15 -0.62 -4.88 113.70 111.28 1h6g s SER 477 Ca 0.09 1.55 -0.09 0.00 0.70 0.00 0.00 55.95 58.20 1h6g s SER 477 Cb 0.10 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 62.06 1h6g s SER 477 CO 0.60 -1.40 1.89 0.50 1.20 0.00 0.00 173.24 176.02 1h6g h LYS 478 N 11.45 1.06 -0.63 5.44 1.63 -1.89 -0.81 116.57 132.83 1h6g h LYS 478 Ca -0.34 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.36 1h6g h LYS 478 Cb 1.16 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 32.53 1h6g h LYS 478 CO 1.01 0.71 0.26 1.25 -3.45 0.00 0.00 179.45 179.23 1h6g h LEU 479 N 1.09 0.87 -0.52 5.20 5.85 -1.97 0.81 115.31 126.64 1h6g h LEU 479 Ca 0.29 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1h6g h LEU 479 Cb -0.12 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 1h6g h LEU 479 CO -0.06 0.79 0.14 0.00 -0.34 0.00 0.00 178.44 178.97 1h6g h ALA 480 N 1.11 0.69 -0.27 1.25 0.00 -1.81 0.22 119.26 120.44 1h6g h ALA 480 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1h6g h ALA 480 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1h6g h ALA 480 CO -0.02 0.37 0.14 1.96 0.00 0.00 0.00 179.25 181.70 1h6g h GLN 481 N 0.72 0.28 -0.58 0.00 4.20 -0.85 -2.81 115.11 116.07 1h6g h GLN 481 Ca 0.17 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 1h6g h GLN 481 Cb 0.32 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1h6g h GLN 481 CO -0.00 0.19 -0.01 0.93 -0.67 0.00 0.00 178.83 179.26 1h6g h GLU 482 N 0.29 1.04 -1.75 1.46 5.08 -0.63 -0.47 114.58 119.60 1h6g h GLU 482 Ca 0.11 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1h6g h GLU 482 Cb 0.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1h6g h GLU 482 CO -0.07 1.03 0.00 0.09 -1.00 0.00 0.00 179.01 179.06 1h6g n ASN 483 N -4.20 0.63 0.00 1.42 5.03 0.75 -1.33 115.26 117.56 1h6g n ASN 483 Ca 0.02 -0.43 0.00 0.00 0.87 0.00 0.00 54.58 55.05 1h6g n ASN 483 Cb 0.35 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 1h6g n ASN 483 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1h6g n ASP 485 N 0.88 0.00 -0.05 6.41 8.00 -0.19 -1.45 116.55 130.15 1h6g n ASP 485 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1h6g n ASP 485 Cb 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1h6g n ASP 485 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1h6g h LEU 486 N 0.00 0.28 -0.85 0.64 4.07 -1.48 -1.79 115.31 116.19 1h6g h LEU 486 Ca 0.00 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 1h6g h LEU 486 Cb 0.00 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.62 1h6g h LEU 486 CO 0.00 0.59 0.48 -0.26 -1.08 0.00 0.00 178.44 178.17 1h6g h PHE 487 N -0.03 1.15 -0.52 1.13 0.04 -1.51 -0.92 116.94 116.28 1h6g h PHE 487 Ca 0.04 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1h6g h PHE 487 Cb 0.47 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1h6g h PHE 487 CO 0.05 0.79 0.34 -0.22 -0.60 0.00 0.00 178.31 178.66 1h6g h LYS 488 N 1.17 0.66 -0.42 1.51 3.64 -1.78 0.67 116.57 122.02 1h6g h LYS 488 Ca 0.30 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1h6g h LYS 488 Cb 0.00 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1h6g h LYS 488 CO -0.05 0.44 0.25 0.93 -2.27 0.00 0.00 179.45 178.74 1h6g h GLU 489 N 0.68 0.58 -0.85 1.90 4.39 -0.95 0.32 114.58 120.65 1h6g h GLU 489 Ca 0.19 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1h6g h GLU 489 Cb -0.06 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 1h6g h GLU 489 CO -0.05 0.44 0.44 0.37 -1.16 0.00 0.00 179.01 179.05 1h6g h GLN 490 N 0.56 1.20 -0.10 2.33 5.75 -0.85 -0.34 115.11 123.65 1h6g h GLN 490 Ca 0.15 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1h6g h GLN 490 Cb 0.02 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 1h6g h GLN 490 CO -0.03 0.90 0.02 2.35 -2.65 0.00 0.00 178.83 179.42 1h6g h TRP 491 N 1.19 0.18 -0.80 3.99 2.91 -0.38 0.37 115.95 123.41 1h6g h TRP 491 Ca 0.30 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.33 1h6g h TRP 491 Cb 0.06 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 28.61 1h6g h TRP 491 CO 0.01 0.36 0.51 0.93 -1.03 0.00 0.00 178.44 179.22 1h6g h GLU 492 N -0.06 0.96 -0.37 2.65 5.08 -0.79 -0.71 114.58 121.33 1h6g h GLU 492 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1h6g h GLU 492 Cb 0.28 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1h6g h GLU 492 CO 0.00 0.63 0.16 -0.22 -1.00 0.00 0.00 179.01 178.58 1h6g h LYS 493 N 0.98 0.55 -0.35 2.33 3.64 -0.79 -2.29 116.57 120.65 1h6g h LYS 493 Ca 0.32 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1h6g h LYS 493 Cb 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1h6g h LYS 493 CO -0.12 0.52 -0.25 1.96 -2.27 0.00 0.00 179.45 179.29 1h6g h GLN 494 N 0.46 0.71 -0.35 1.90 1.08 -0.47 -1.57 115.11 116.86 1h6g h GLN 494 Ca 0.12 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1h6g h GLN 494 Cb 0.17 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1h6g h GLN 494 CO -0.01 0.89 0.19 0.28 -0.95 0.00 0.00 178.83 179.23 1h6g h VAL 495 N 0.61 1.14 -0.38 -0.54 2.07 -1.10 0.36 116.25 118.42 1h6g h VAL 495 Ca 0.08 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1h6g h VAL 495 Cb 0.75 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1h6g h VAL 495 CO 0.06 0.14 0.13 -0.09 0.02 0.00 0.00 177.57 177.83 1h6g h ARG 496 N 0.44 0.28 -0.69 1.57 2.43 -1.17 0.32 114.38 117.55 1h6g h ARG 496 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1h6g h ARG 496 Cb 0.06 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1h6g h ARG 496 CO -0.02 0.18 0.37 0.28 -1.51 0.00 0.00 179.97 179.27 1h6g h VAL 497 N 0.29 1.21 -0.10 0.20 2.07 -0.94 -1.35 116.25 117.63 1h6g h VAL 497 Ca 0.17 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1h6g h VAL 497 Cb 0.15 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1h6g h VAL 497 CO -0.18 0.24 -0.27 0.25 0.02 0.00 0.00 177.57 177.63 1h6g h LEU 498 N 0.97 0.41 -1.15 2.57 5.85 0.31 -1.95 115.31 122.32 1h6g h LEU 498 Ca 0.24 -0.60 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 1h6g h LEU 498 Cb 0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1h6g h LEU 498 CO -0.04 0.93 -0.24 0.71 -0.34 0.00 0.00 178.44 179.47 1h6g h THR 499 N -0.09 1.24 -0.50 1.05 1.35 -0.25 0.76 112.91 116.47 1h6g h THR 499 Ca -0.01 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.61 1h6g h THR 499 Cb 0.89 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1h6g h THR 499 CO 0.06 0.35 -0.17 0.44 -0.25 0.00 0.00 175.52 175.95 1h6g h ASP 500 N 0.26 0.99 -0.45 5.36 3.32 -1.25 -0.97 116.42 123.69 1h6g h ASP 500 Ca 0.04 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1h6g h ASP 500 Cb 0.57 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1h6g h ASP 500 CO 0.04 1.14 0.03 0.00 -1.72 0.00 0.00 179.24 178.72 1h6g h ALA 501 N 0.94 1.08 -0.28 3.45 0.00 -0.60 -2.38 119.26 121.47 1h6g h ALA 501 Ca 0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1h6g h ALA 501 Cb 0.73 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1h6g h ALA 501 CO 0.06 0.59 -0.52 0.28 0.00 0.00 0.00 179.25 179.65 1h6g h VAL 502 N 0.79 1.28 -0.28 0.00 2.07 -0.56 -3.02 116.25 116.54 1h6g h VAL 502 Ca 0.16 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 66.01 1h6g h VAL 502 Cb 0.44 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1h6g h VAL 502 CO 0.02 0.56 -0.05 0.44 0.02 0.00 0.00 177.57 178.55 1h6g h ASP 503 N 0.63 -0.22 -0.93 0.57 5.19 -0.95 -1.14 116.42 119.57 1h6g h ASP 503 Ca 0.02 0.08 0.21 0.00 -0.62 0.00 0.00 57.03 56.72 1h6g h ASP 503 Cb 1.11 0.16 -0.07 0.00 0.18 0.00 0.00 39.33 40.71 1h6g h ASP 503 CO 0.11 -0.07 0.61 0.44 -3.12 0.00 0.00 179.24 177.21 1h6g h ASP 504 N 0.02 0.44 -0.12 6.45 5.19 -1.31 0.52 116.42 127.62 1h6g h ASP 504 Ca 0.14 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1h6g h ASP 504 Cb 0.20 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1h6g h ASP 504 CO -0.27 0.17 0.00 2.30 -3.12 0.00 0.00 179.24 178.31 1h6g n ILE 505 N -4.54 0.13 -0.10 0.35 -5.35 -0.93 -4.43 119.36 104.49 1h6g n ILE 505 Ca 0.20 -0.56 -0.10 0.00 -0.27 0.00 0.00 62.75 62.02 1h6g n ILE 505 Cb 0.71 1.36 -0.15 0.00 -1.74 0.00 0.00 39.64 39.81 1h6g n ILE 505 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1h6g n THR 506 N 1.35 1.34 -3.86 7.28 -2.24 0.10 -4.73 114.28 113.52 1h6g n THR 506 Ca 0.15 -0.83 -0.36 0.00 -2.27 0.00 0.00 64.05 60.75 1h6g n THR 506 Cb 0.59 -0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 1h6g n THR 506 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h6g s SER 507 N -5.41 5.01 0.25 3.42 1.04 -0.75 -4.98 113.70 112.27 1h6g s SER 507 Ca -0.10 -1.23 -0.03 0.00 0.48 0.00 0.00 55.95 55.07 1h6g s SER 507 Cb 0.06 -1.76 0.47 0.00 0.10 0.00 0.00 66.02 64.90 1h6g s SER 507 CO 0.80 -0.28 1.74 0.40 0.98 0.00 0.00 173.24 176.89 1h6g h ILE 508 N 6.38 0.70 -0.63 -1.02 1.08 -1.89 -1.89 117.51 120.23 1h6g h ILE 508 Ca -0.22 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1h6g h ILE 508 Cb 1.07 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1h6g h ILE 508 CO 0.55 0.09 0.41 -0.78 -0.69 0.00 0.00 178.15 177.74 1h6g h ASP 509 N 0.51 0.70 -0.40 1.72 3.58 -1.96 0.39 116.42 120.97 1h6g h ASP 509 Ca 0.43 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.88 1h6g h ASP 509 Cb 0.62 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1h6g h ASP 509 CO -0.38 0.50 0.23 0.44 -2.88 0.00 0.00 179.24 177.15 1h6g h ASP 510 N 0.83 0.37 -0.59 2.28 3.32 -1.74 0.65 116.42 121.54 1h6g h ASP 510 Ca 0.24 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.33 1h6g h ASP 510 Cb -0.06 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1h6g h ASP 510 CO -0.07 0.27 0.35 0.15 -1.72 0.00 0.00 179.24 178.22 1h6g h PHE 511 N 0.47 0.65 -0.46 4.55 3.57 -0.50 -1.58 116.94 123.64 1h6g h PHE 511 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1h6g h PHE 511 Cb 0.01 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1h6g h PHE 511 CO -0.07 0.35 0.16 -0.07 -2.23 0.00 0.00 178.31 176.45 1h6g h LEU 512 N 0.68 0.65 -0.02 0.59 3.38 0.51 -0.61 115.31 120.48 1h6g h LEU 512 Ca 0.25 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1h6g h LEU 512 Cb 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1h6g h LEU 512 CO -0.12 0.67 -0.06 0.00 0.09 0.00 0.00 178.44 179.01 1h6g h ALA 513 N 1.01 -0.05 -0.71 1.53 0.00 -0.60 -0.31 119.26 120.13 1h6g h ALA 513 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1h6g h ALA 513 Cb 0.24 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1h6g h ALA 513 CO -0.01 -0.55 0.47 0.28 0.00 0.00 0.00 179.25 179.44 1h6g h VAL 514 N -0.10 1.15 -0.12 0.00 2.07 -1.13 -1.36 116.25 116.75 1h6g h VAL 514 Ca 0.03 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1h6g h VAL 514 Cb 0.15 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1h6g h VAL 514 CO -0.08 0.17 -0.38 0.28 0.02 0.00 0.00 177.57 177.57 1h6g h SER 515 N 0.92 0.28 -0.38 0.57 0.02 -0.15 -2.38 113.55 112.42 1h6g h SER 515 Ca 0.27 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1h6g h SER 515 Cb -0.04 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1h6g h SER 515 CO -0.07 0.64 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.73 1h6g h GLU 516 N 0.23 0.88 0.38 3.45 5.08 -0.02 0.24 114.58 124.81 1h6g h GLU 516 Ca 0.02 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1h6g h GLU 516 Cb 0.78 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1h6g h GLU 516 CO 0.06 1.00 -0.37 -0.91 -1.00 0.00 0.00 179.01 177.79 1h6g h ASN 517 N 0.76 -1.00 -0.37 1.42 2.35 -1.11 0.38 115.58 118.01 1h6g h ASN 517 Ca 0.11 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1h6g h ASN 517 Cb 0.74 0.34 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1h6g h ASN 517 CO 0.06 -0.52 0.23 0.45 -1.65 0.00 0.00 177.43 176.00 1h6g h HIS 518 N -0.77 0.48 -0.36 1.19 3.86 -1.35 -0.17 115.15 118.02 1h6g h HIS 518 Ca -0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1h6g h HIS 518 Cb 0.69 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1h6g h HIS 518 CO -0.20 0.33 0.18 0.82 0.86 0.00 0.00 177.93 179.92 1h6g h ILE 519 N 0.48 1.16 -0.72 2.45 2.04 -0.24 -0.24 117.51 122.44 1h6g h ILE 519 Ca 0.13 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1h6g h ILE 519 Cb -0.01 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1h6g h ILE 519 CO -0.03 0.16 0.42 0.25 0.00 0.00 0.00 178.15 178.96 1h6g h LEU 520 N 0.45 0.88 0.01 1.44 5.85 -0.03 0.12 115.31 124.03 1h6g h LEU 520 Ca 0.13 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1h6g h LEU 520 Cb 0.09 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1h6g h LEU 520 CO -0.02 0.70 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.37 1h6g h GLU 521 N 0.99 -0.47 -0.61 1.25 4.81 -0.58 -1.41 114.58 118.55 1h6g h GLU 521 Ca 0.26 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1h6g h GLU 521 Cb -0.01 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1h6g h GLU 521 CO -0.05 -0.31 0.17 -0.44 -0.73 0.00 0.00 179.01 177.65 1h6g h ASP 522 N -0.49 0.87 -0.82 1.04 3.32 -0.71 -1.63 116.42 118.01 1h6g h ASP 522 Ca 0.06 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1h6g h ASP 522 Cb 0.57 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1h6g h ASP 522 CO -0.27 0.83 0.50 0.58 -1.72 0.00 0.00 179.24 179.16 1h6g h VAL 523 N 0.90 1.23 -0.51 -1.35 2.07 -0.46 0.88 116.25 119.01 1h6g h VAL 523 Ca 0.20 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1h6g h VAL 523 Cb 0.29 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1h6g h VAL 523 CO -0.01 0.24 -0.15 -1.13 0.02 0.00 0.00 177.57 176.55 1h6g h ASN 524 N 1.12 1.01 0.48 0.57 -1.24 -0.92 -1.97 115.58 114.64 1h6g h ASN 524 Ca 0.29 -0.37 -0.11 0.00 0.71 0.00 0.00 56.30 56.83 1h6g h ASN 524 Cb -0.05 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.71 1h6g h ASN 524 CO -0.06 1.15 -0.50 0.11 -1.29 0.00 0.00 177.43 176.84 1h6g h LYS 525 N 0.86 0.02 -0.33 6.67 1.57 -0.40 -0.58 116.57 124.39 1h6g h LYS 525 Ca 0.13 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1h6g h LYS 525 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1h6g h LYS 525 CO 0.05 0.52 0.07 0.00 -0.57 0.00 0.00 179.45 179.53 1h6g h VAL 527 N 0.38 1.25 0.13 0.00 2.07 -1.12 -2.20 116.25 116.77 1h6g h VAL 527 Ca 0.10 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1h6g h VAL 527 Cb 0.32 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1h6g h VAL 527 CO 0.00 0.39 -0.06 0.40 0.02 0.00 0.00 177.57 178.31 1h6g h ILE 528 N 0.77 0.92 -0.81 4.57 1.08 -0.76 -2.03 117.51 121.25 1h6g h ILE 528 Ca 0.14 -0.21 0.15 0.00 -0.39 0.00 0.00 64.86 64.55 1h6g h ILE 528 Cb 0.53 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 1h6g h ILE 528 CO 0.03 0.05 0.53 0.00 -0.69 0.00 0.00 178.15 178.07 1h6g h ALA 529 N 0.58 2.00 0.18 1.87 0.00 -0.76 0.29 119.26 123.42 1h6g h ALA 529 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h6g h ALA 529 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h6g h ALA 529 CO 0.03 -0.22 -0.09 1.25 0.00 0.00 0.00 179.25 180.23 1h6g h LEU 530 N 0.53 -0.20 -1.85 0.00 5.85 -1.05 0.51 115.31 119.09 1h6g h LEU 530 Ca 0.40 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1h6g h LEU 530 Cb 0.79 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1h6g h LEU 530 CO -0.15 0.08 0.08 1.56 -0.34 0.00 0.00 178.44 179.67 1h6g h GLN 531 N -0.50 0.17 -0.06 1.25 4.20 -0.47 0.17 115.11 119.87 1h6g h GLN 531 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1h6g h GLN 531 Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1h6g h GLN 531 CO 0.04 0.12 0.00 0.39 -0.67 0.00 0.00 178.83 178.71 1h6g n GLU 532 N -4.51 1.32 -2.83 1.46 1.02 0.88 -4.86 120.64 113.13 1h6g n GLU 532 Ca -0.01 -0.49 -0.18 0.00 -0.02 0.00 0.00 57.16 56.47 1h6g n GLU 532 Cb 0.09 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1h6g n GLU 532 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1h6g n LYS 533 N -0.31 -2.96 -3.04 3.49 4.01 0.60 -4.90 118.16 115.04 1h6g n LYS 533 Ca 0.16 0.61 -0.44 0.00 -0.51 0.00 0.00 58.31 58.13 1h6g n LYS 533 Cb 0.19 -5.29 -0.05 0.00 -0.51 0.00 0.00 35.03 29.37 1h6g n LYS 533 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1h6g s ASP 534 N -2.35 6.20 0.11 4.39 2.15 0.17 -4.95 116.67 122.39 1h6g s ASP 534 Ca 0.18 -1.10 -0.13 0.00 0.43 0.00 0.00 52.55 51.93 1h6g s ASP 534 Cb -0.09 -2.34 -0.09 0.00 -0.30 0.00 0.00 42.92 40.10 1h6g s ASP 534 CO 0.22 -1.15 1.41 0.58 -0.17 0.00 0.00 175.17 176.06 1h6g h VAL 535 N 5.93 1.29 -0.64 1.11 2.07 -1.91 -0.84 116.25 123.26 1h6g h VAL 535 Ca -0.28 -1.61 0.04 0.00 0.82 0.00 0.00 66.70 65.66 1h6g h VAL 535 Cb 1.08 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 1h6g h VAL 535 CO 1.09 0.52 0.38 0.44 0.02 0.00 0.00 177.57 180.02 1h6g h ASP 536 N 0.57 0.61 -0.54 0.57 3.32 -1.97 -1.75 116.42 117.23 1h6g h ASP 536 Ca 0.03 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1h6g h ASP 536 Cb 1.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1h6g h ASP 536 CO 0.10 0.41 0.05 1.23 -1.72 0.00 0.00 179.24 179.31 1h6g h GLY 537 N 0.74 0.99 0.54 2.75 0.00 -1.91 -2.37 103.07 103.80 1h6g h GLY 537 Ca 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1h6g h GLY 537 CO -0.13 0.63 -0.29 1.41 0.00 0.00 0.00 176.54 178.17 1h6g h LEU 538 N 0.80 -0.82 0.43 3.11 -0.00 -0.60 -0.82 115.31 117.40 1h6g h LEU 538 Ca 0.16 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 1h6g h LEU 538 Cb 0.46 0.30 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 1h6g h LEU 538 CO 0.02 -0.39 -0.29 0.44 -0.00 0.00 0.00 178.44 178.21 1h6g h ASP 539 N -0.54 -0.75 0.45 -0.43 3.32 -1.30 0.16 116.42 117.34 1h6g h ASP 539 Ca 0.02 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1h6g h ASP 539 Cb 0.54 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1h6g h ASP 539 CO -0.14 -0.45 -0.46 0.08 -1.72 0.00 0.00 179.24 176.54 1h6g h ARG 540 N -0.70 0.01 -0.20 3.56 0.11 -1.44 -0.36 114.38 115.35 1h6g h ARG 540 Ca -0.04 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 59.97 1h6g h ARG 540 Cb 0.59 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 1h6g h ARG 540 CO 0.03 0.48 -0.11 0.00 0.10 0.00 0.00 179.97 180.46 1h6g h THR 541 N 0.01 1.31 0.00 0.08 1.03 -1.03 -1.60 112.91 112.71 1h6g h THR 541 Ca -0.00 -1.19 -0.05 0.00 -0.01 0.00 0.00 66.41 65.15 1h6g h THR 541 Cb 0.83 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 1h6g h THR 541 CO 0.06 0.36 -0.24 0.00 -0.01 0.00 0.00 175.52 175.69 1h6g h ALA 542 N 0.69 1.29 -0.20 0.00 0.00 -0.40 -2.64 119.26 118.01 1h6g h ALA 542 Ca 0.04 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1h6g h ALA 542 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1h6g h ALA 542 CO 0.03 0.30 -0.54 0.78 0.00 0.00 0.00 179.25 179.83 1h6g h GLY 543 N 1.16 0.78 1.21 0.00 0.00 -0.88 -1.80 103.07 103.54 1h6g h GLY 543 Ca -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.31 1h6g h GLY 543 CO 0.03 0.89 0.32 0.00 0.00 0.00 0.00 176.54 177.77 1h6g h ALA 544 N 0.59 1.22 -0.11 3.60 0.00 -1.05 0.52 119.26 124.03 1h6g h ALA 544 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1h6g h ALA 544 Cb 1.16 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1h6g h ALA 544 CO 0.12 0.58 0.00 0.82 0.00 0.00 0.00 179.25 180.77 1h6g h ILE 545 N 1.01 1.24 -0.34 0.00 2.04 -1.41 0.45 117.51 120.50 1h6g h ILE 545 Ca 0.24 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1h6g h ILE 545 Cb 0.14 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1h6g h ILE 545 CO -0.03 0.22 0.15 0.03 0.00 0.00 0.00 178.15 178.52 1h6g h ARG 546 N -0.07 0.51 -0.42 2.37 3.08 -1.10 0.40 114.38 119.14 1h6g h ARG 546 Ca 0.03 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1h6g h ARG 546 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1h6g h ARG 546 CO 0.00 0.49 0.19 0.78 -1.07 0.00 0.00 179.97 180.36 1h6g h GLY 547 N 0.41 0.66 0.82 0.04 0.00 0.13 -0.82 103.07 104.31 1h6g h GLY 547 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1h6g h GLY 547 CO -0.01 0.33 -0.02 -0.09 0.00 0.00 0.00 176.54 176.75 1h6g h ARG 548 N 0.54 0.38 -0.97 4.80 9.65 0.42 -2.57 114.38 126.63 1h6g h ARG 548 Ca 0.14 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1h6g h ARG 548 Cb 0.15 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.66 1h6g h ARG 548 CO -0.01 0.59 0.63 0.00 2.80 0.00 0.00 179.97 183.98 1h6g h ALA 549 N 0.77 1.28 -0.70 2.80 0.00 -0.16 -1.64 119.26 121.62 1h6g h ALA 549 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h6g h ALA 549 Cb 0.43 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1h6g h ALA 549 CO 0.01 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.34 1h6g h ALA 550 N 1.37 0.89 -0.51 0.00 0.00 -1.09 -0.94 119.26 118.98 1h6g h ALA 550 Ca 0.35 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1h6g h ALA 550 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1h6g h ALA 550 CO -0.07 0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.61 1h6g h ARG 551 N 0.95 0.80 -0.15 0.00 3.08 -0.91 -2.04 114.38 116.11 1h6g h ARG 551 Ca 0.25 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1h6g h ARG 551 Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1h6g h ARG 551 CO -0.05 0.75 0.03 0.28 -1.07 0.00 0.00 179.97 179.91 1h6g h VAL 552 N 0.76 1.21 -0.42 2.04 2.07 -0.73 -1.55 116.25 119.63 1h6g h VAL 552 Ca 0.16 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1h6g h VAL 552 Cb 0.35 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1h6g h VAL 552 CO 0.01 0.20 0.16 0.40 0.02 0.00 0.00 177.57 178.36 1h6g h ILE 553 N 0.03 0.89 0.56 4.57 2.04 -1.01 -0.65 117.51 123.94 1h6g h ILE 553 Ca 0.05 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1h6g h ILE 553 Cb 0.28 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1h6g h ILE 553 CO 0.00 0.06 -0.28 -0.74 0.00 0.00 0.00 178.15 177.20 1h6g h HIS 554 N 0.33 -0.71 -0.33 1.37 2.76 -1.32 0.19 115.15 117.44 1h6g h HIS 554 Ca 0.19 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 1h6g h HIS 554 Cb 0.17 0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 1h6g h HIS 554 CO -0.14 -0.44 0.02 0.28 -1.30 0.00 0.00 177.93 176.35 1h6g h VAL 555 N -0.76 0.79 -0.45 5.26 2.07 -1.14 -0.92 116.25 121.10 1h6g h VAL 555 Ca -0.08 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1h6g h VAL 555 Cb 0.59 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1h6g h VAL 555 CO 0.12 0.02 -0.02 0.58 0.02 0.00 0.00 177.57 178.30 1h6g h VAL 556 N 0.12 1.26 -0.46 2.57 2.07 -0.99 0.52 116.25 121.35 1h6g h VAL 556 Ca 0.16 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1h6g h VAL 556 Cb 0.20 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1h6g h VAL 556 CO -0.24 0.37 0.30 0.74 0.02 0.00 0.00 177.57 178.76 1h6g h THR 557 N 0.65 1.10 -0.33 2.57 2.02 -0.46 -1.28 112.91 117.19 1h6g h THR 557 Ca 0.13 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1h6g h THR 557 Cb 0.52 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1h6g h THR 557 CO 0.03 0.11 -0.23 0.28 0.37 0.00 0.00 175.52 176.08 1h6g h SER 558 N 0.61 0.64 0.00 4.18 0.02 -1.13 -3.23 113.55 114.64 1h6g h SER 558 Ca 0.17 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1h6g h SER 558 Cb -0.05 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1h6g h SER 558 CO -0.05 0.86 0.00 1.21 -1.14 0.00 0.00 176.83 177.71 1h6g n GLU 559 N -4.12 0.00 0.00 3.45 4.07 0.17 -3.96 120.64 120.25 1h6g n GLU 559 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1h6g n GLU 559 Cb 0.42 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 1h6g n GLU 559 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1h6g n ASP 561 N 1.69 0.00 0.00 4.31 8.00 -1.22 -4.27 116.55 125.06 1h6g n ASP 561 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1h6g n ASP 561 Cb 0.00 -0.03 0.77 0.00 -0.02 0.00 0.00 41.12 41.84 1h6g n ASP 561 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1h6g n ASN 562 N 0.00 0.00 -4.42 -2.24 3.02 -1.25 -4.80 115.26 105.57 1h6g n ASN 562 Ca 0.00 -0.74 -0.22 0.00 -0.03 0.00 0.00 54.58 53.60 1h6g n ASN 562 Cb 0.00 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1h6g n ASN 562 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1h6g s TYR 563 N -2.08 2.05 0.03 3.10 1.51 -1.26 -5.12 117.35 115.59 1h6g s TYR 563 Ca 0.38 -0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 55.80 1h6g s TYR 563 Cb 0.18 -0.92 -0.06 0.00 -0.11 0.00 0.00 41.96 41.06 1h6g s TYR 563 CO 0.32 0.56 0.61 -2.00 -1.11 0.00 0.00 175.55 173.93 1h6g s GLU 564 N -3.51 4.31 0.30 -0.62 2.12 -1.26 -5.00 118.70 115.04 1h6g s GLU 564 Ca 0.26 0.79 -0.26 0.00 0.36 0.00 0.00 54.97 56.12 1h6g s GLU 564 Cb -0.03 -3.31 -0.15 0.00 0.26 0.00 0.00 34.13 30.90 1h6g s GLU 564 CO 0.11 0.46 0.68 -2.30 -0.54 0.00 0.00 175.26 173.67 1h6g n PRO 565 N 2.36 0.63 -3.04 4.30 -0.02 -1.26 -4.75 135.00 133.22 1h6g n PRO 565 Ca -0.07 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1h6g n PRO 565 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1h6g n PRO 565 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h6g n GLY 566 N 1.68 -1.09 0.26 -1.23 0.00 -1.26 -4.96 105.19 98.59 1h6g n GLY 566 Ca 0.13 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.39 1h6g n GLY 566 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1h6g h VAL 567 N 0.00 1.18 0.37 1.61 -1.51 -1.99 -2.67 116.25 113.23 1h6g h VAL 567 Ca 0.00 -0.74 -0.02 0.00 -1.23 0.00 0.00 66.70 64.71 1h6g h VAL 567 Cb 0.00 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1h6g h VAL 567 CO 0.00 0.25 -0.18 0.22 -1.23 0.00 0.00 177.57 176.63 1h6g h TYR 568 N 0.41 -0.46 -0.22 5.19 3.20 -1.94 -0.71 116.97 122.44 1h6g h TYR 568 Ca 0.09 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1h6g h TYR 568 Cb 0.32 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1h6g h TYR 568 CO 0.01 -0.20 -0.02 1.79 -1.64 0.00 0.00 178.16 178.10 1h6g h THR 569 N -0.63 1.15 -0.25 1.81 1.35 -1.84 -1.76 112.91 112.73 1h6g h THR 569 Ca -0.05 -0.61 -0.14 0.00 -0.55 0.00 0.00 66.41 65.06 1h6g h THR 569 Cb 0.46 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1h6g h THR 569 CO 0.08 0.20 -0.37 -0.33 -0.25 0.00 0.00 175.52 174.86 1h6g h GLU 570 N 0.32 0.70 -0.55 4.72 5.08 -1.33 0.29 114.58 123.80 1h6g h GLU 570 Ca 0.07 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1h6g h GLU 570 Cb 0.26 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1h6g h GLU 570 CO 0.01 1.03 0.30 -0.22 -1.00 0.00 0.00 179.01 179.13 1h6g h LYS 571 N 0.42 0.77 0.26 2.33 3.64 -0.81 0.15 116.57 123.33 1h6g h LYS 571 Ca 0.03 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1h6g h LYS 571 Cb 0.96 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1h6g h LYS 571 CO 0.09 0.60 -0.12 0.28 -2.27 0.00 0.00 179.45 178.02 1h6g h VAL 572 N 0.74 0.79 -0.27 2.00 2.07 -1.18 -2.29 116.25 118.11 1h6g h VAL 572 Ca 0.19 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1h6g h VAL 572 Cb 0.05 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1h6g h VAL 572 CO -0.03 0.08 0.16 -0.07 0.02 0.00 0.00 177.57 177.73 1h6g h LEU 573 N -0.53 0.32 -0.28 2.57 3.38 -0.88 0.71 115.31 120.59 1h6g h LEU 573 Ca -0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1h6g h LEU 573 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1h6g h LEU 573 CO 0.06 0.25 0.04 -0.33 0.09 0.00 0.00 178.44 178.54 1h6g h GLU 574 N 0.37 0.47 -0.84 1.13 4.39 -0.82 0.05 114.58 119.32 1h6g h GLU 574 Ca 0.10 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1h6g h GLU 574 Cb -0.01 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1h6g h GLU 574 CO -0.02 0.59 0.40 0.00 -1.16 0.00 0.00 179.01 178.82 1h6g h ALA 575 N 0.86 1.12 -0.33 3.43 0.00 -0.66 0.05 119.26 123.72 1h6g h ALA 575 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1h6g h ALA 575 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1h6g h ALA 575 CO 0.01 0.66 -0.14 1.79 0.00 0.00 0.00 179.25 181.57 1h6g h THR 576 N 1.20 1.29 -0.68 0.00 1.35 -0.71 -2.02 112.91 113.35 1h6g h THR 576 Ca 0.29 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1h6g h THR 576 Cb 0.12 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1h6g h THR 576 CO -0.04 0.40 0.34 0.11 -0.25 0.00 0.00 175.52 176.08 1h6g h LYS 577 N 0.46 0.97 -0.90 4.72 1.57 -0.78 0.13 116.57 122.74 1h6g h LYS 577 Ca 0.08 -0.14 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1h6g h LYS 577 Cb 0.67 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 1h6g h LYS 577 CO 0.05 0.76 0.53 1.25 -0.57 0.00 0.00 179.45 181.47 1h6g h LEU 578 N 0.94 0.76 -0.02 2.94 6.46 -0.85 1.01 115.31 126.54 1h6g h LEU 578 Ca 0.23 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 58.00 1h6g h LEU 578 Cb 0.10 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1h6g h LEU 578 CO -0.03 0.41 -0.17 0.25 -0.62 0.00 0.00 178.44 178.28 1h6g h LEU 579 N 0.85 0.18 -0.73 2.25 5.85 -0.53 -2.00 115.31 121.19 1h6g h LEU 579 Ca 0.45 -0.70 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 1h6g h LEU 579 Cb 0.46 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1h6g h LEU 579 CO -0.27 0.86 -0.48 0.77 -0.34 0.00 0.00 178.44 178.97 1h6g h SER 580 N -0.48 0.00 0.17 1.25 4.64 -0.31 -3.29 113.55 115.53 1h6g h SER 580 Ca -0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1h6g h SER 580 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1h6g h SER 580 CO 0.03 0.48 -1.85 0.59 -0.87 0.00 0.00 176.83 175.22 1h6g n ASN 581 N -3.54 0.15 0.04 4.97 4.13 0.35 -4.43 115.26 116.91 1h6g n ASN 581 Ca -0.00 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1h6g n ASN 581 Cb 0.59 1.69 0.00 0.00 -1.54 0.00 0.00 39.78 40.52 1h6g n ASN 581 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1h6g n THR 582 N -2.35 0.52 0.00 3.41 -1.04 -0.81 -4.70 114.28 109.30 1h6g n THR 582 Ca -0.05 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1h6g n THR 582 Cb 0.59 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 1h6g n THR 582 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1h6g n VAL 583 N -3.01 0.00 0.00 12.58 0.31 -0.84 -1.04 118.33 126.32 1h6g n VAL 583 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1h6g n VAL 583 Cb 0.00 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1h6g n VAL 583 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1h6g n PRO 585 N 0.50 0.00 -0.06 5.55 -0.02 -1.26 -1.34 135.00 138.38 1h6g n PRO 585 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1h6g n PRO 585 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 33.66 1h6g n PRO 585 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1h6g h ARG 586 N 0.00 0.67 0.06 -0.52 2.43 -1.44 -1.61 114.38 113.97 1h6g h ARG 586 Ca 0.00 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1h6g h ARG 586 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1h6g h ARG 586 CO 0.00 0.76 -0.03 0.35 -1.51 0.00 0.00 179.97 179.54 1h6g h PHE 587 N 0.61 -0.07 -0.73 2.20 3.57 -1.45 -1.65 116.94 119.42 1h6g h PHE 587 Ca 0.11 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1h6g h PHE 587 Cb 0.54 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1h6g h PHE 587 CO 0.02 0.17 0.40 1.15 -2.23 0.00 0.00 178.31 177.82 1h6g h THR 588 N -0.31 0.94 -0.56 4.41 2.02 -1.78 -0.17 112.91 117.46 1h6g h THR 588 Ca -0.01 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1h6g h THR 588 Cb 0.27 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1h6g h THR 588 CO 0.01 0.13 0.13 1.05 0.37 0.00 0.00 175.52 177.22 1h6g h GLU 589 N 0.72 0.86 -0.21 6.66 4.11 -1.22 -0.34 114.58 125.16 1h6g h GLU 589 Ca 0.34 -0.18 -0.05 0.00 0.07 0.00 0.00 59.36 59.54 1h6g h GLU 589 Cb 0.26 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1h6g h GLU 589 CO -0.21 0.77 -0.08 0.37 0.07 0.00 0.00 179.01 179.93 1h6g h GLN 590 N 0.82 0.32 0.17 1.06 5.75 -0.09 -0.92 115.11 122.23 1h6g h GLN 590 Ca 0.18 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1h6g h GLN 590 Cb 0.31 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1h6g h GLN 590 CO -0.00 0.42 -0.08 0.28 -2.65 0.00 0.00 178.83 176.79 1h6g h VAL 591 N 0.31 0.00 -1.07 2.39 2.07 0.19 -2.47 116.25 117.66 1h6g h VAL 591 Ca 0.07 -0.57 0.30 0.00 0.82 0.00 0.00 66.70 67.31 1h6g h VAL 591 Cb 0.34 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 1h6g h VAL 591 CO 0.02 0.00 0.67 -0.33 0.02 0.00 0.00 177.57 177.95 1h6g h GLU 592 N -0.81 0.35 -0.03 1.57 5.08 -1.15 0.36 114.58 119.96 1h6g h GLU 592 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1h6g h GLU 592 Cb 0.18 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1h6g h GLU 592 CO 0.04 0.23 0.02 0.00 -1.00 0.00 0.00 179.01 178.30 1h6g h ALA 593 N 1.68 0.04 -0.81 3.43 0.00 -1.22 -2.48 119.26 119.89 1h6g h ALA 593 Ca 0.67 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.48 1h6g h ALA 593 Cb 1.66 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1h6g h ALA 593 CO -0.40 -0.41 0.35 0.00 0.00 0.00 0.00 179.25 178.79 1h6g h ALA 594 N 0.91 1.08 -0.76 0.00 0.00 0.13 -1.49 119.26 119.12 1h6g h ALA 594 Ca 0.01 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1h6g h ALA 594 Cb 0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1h6g h ALA 594 CO -0.00 0.67 0.50 0.28 0.00 0.00 0.00 179.25 180.70 1h6g h VAL 595 N 1.17 0.96 0.88 0.00 2.07 -0.91 -0.18 116.25 120.25 1h6g h VAL 595 Ca 0.27 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1h6g h VAL 595 Cb 0.18 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1h6g h VAL 595 CO -0.03 0.13 -0.42 -0.08 0.02 0.00 0.00 177.57 177.19 1h6g h GLU 596 N 0.71 -1.14 0.00 1.57 4.57 -0.82 -0.40 114.58 119.08 1h6g h GLU 596 Ca 0.35 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1h6g h GLU 596 Cb 0.41 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1h6g h GLU 596 CO -0.13 -0.76 0.00 0.00 -1.18 0.00 0.00 179.01 176.94 1h6g n ALA 597 N -2.59 1.25 0.97 2.92 0.00 -0.94 -0.77 120.51 121.35 1h6g n ALA 597 Ca -0.15 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1h6g n ALA 597 Cb 0.47 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1h6g n ALA 597 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h6g n LEU 598 N -1.96 1.87 -1.48 0.00 4.77 -0.12 -3.50 117.00 116.58 1h6g n LEU 598 Ca 0.00 -0.73 0.08 0.00 -0.03 0.00 0.00 56.01 55.33 1h6g n LEU 598 Cb 0.09 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.52 1h6g n LEU 598 CO 0.10 0.36 0.81 -1.20 -1.33 0.00 0.00 177.39 176.12 1h6g n SER 599 N -0.21 4.93 -3.79 -1.43 7.64 0.05 -4.91 113.62 115.89 1h6g n SER 599 Ca 0.08 -2.89 -0.18 0.00 1.01 0.00 0.00 58.87 56.90 1h6g n SER 599 Cb 0.44 -0.61 -0.17 0.00 -1.01 0.00 0.00 64.21 62.86 1h6g n SER 599 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1h6g s SER 600 N -1.21 0.59 0.22 6.43 0.01 -1.23 -5.05 113.70 113.47 1h6g s SER 600 Ca 0.49 -0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.63 1h6g s SER 600 Cb 0.37 -0.21 0.30 0.00 0.21 0.00 0.00 66.02 66.69 1h6g s SER 600 CO 0.14 -0.13 1.62 -2.24 0.41 0.00 0.00 173.24 173.04 1h6g h ASP 601 N 7.53 -0.55 0.04 2.44 2.03 -1.91 0.92 116.42 126.92 1h6g h ASP 601 Ca -0.36 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 1h6g h ASP 601 Cb 1.13 0.39 0.00 0.00 -0.83 0.00 0.00 39.33 40.02 1h6g h ASP 601 CO 0.41 -0.21 0.00 1.55 -1.03 0.00 0.00 179.24 179.96 1h6g h PRO 602 N 0.03 0.00 -5.65 4.15 0.13 -1.97 -3.47 132.00 125.23 1h6g h PRO 602 Ca 0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.44 1h6g h PRO 602 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1h6g h PRO 602 CO -0.68 0.00 -0.96 0.00 -0.23 0.00 0.00 178.00 176.13 1h6g n ALA 603 N -1.96 -2.88 -1.05 -0.56 0.00 0.32 -4.91 120.51 109.47 1h6g n ALA 603 Ca -0.02 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 1h6g n ALA 603 Cb 0.07 -1.24 0.13 0.00 0.00 0.00 0.00 19.45 18.40 1h6g n ALA 603 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1h6g s GLN 604 N -1.60 1.54 0.00 0.00 1.11 -1.23 -5.05 119.66 114.43 1h6g s GLN 604 Ca 0.06 1.73 0.00 0.00 0.01 0.00 0.00 55.36 57.16 1h6g s GLN 604 Cb -0.01 -1.77 0.00 0.00 -1.01 0.00 0.00 33.01 30.22 1h6g s GLN 604 CO 0.54 -2.28 0.00 -2.30 0.01 0.00 0.00 175.29 171.26 1h6g n PRO 605 N -3.43 1.00 -3.33 2.91 -0.02 -1.26 -4.80 135.00 126.07 1h6g n PRO 605 Ca 0.13 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.44 1h6g n PRO 605 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.91 1h6g n PRO 605 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1h6g s ASP 607 N -1.98 1.04 0.20 2.55 -1.08 -1.26 -4.89 116.67 111.26 1h6g s ASP 607 Ca 0.00 -1.78 -0.11 0.00 -0.52 0.00 0.00 52.55 50.14 1h6g s ASP 607 Cb 0.00 0.53 0.23 0.00 -1.46 0.00 0.00 42.92 42.22 1h6g s ASP 607 CO 0.00 -0.23 1.75 -0.08 0.52 0.00 0.00 175.17 177.12 1h6g h GLU 608 N 6.74 0.37 -0.14 4.34 4.81 -2.03 -2.40 114.58 126.28 1h6g h GLU 608 Ca 0.08 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1h6g h GLU 608 Cb 1.04 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1h6g h GLU 608 CO 0.20 0.25 0.10 -0.97 -0.73 0.00 0.00 179.01 177.86 1h6g h ASN 609 N 0.39 0.04 0.51 1.04 -1.24 -2.05 0.27 115.58 114.54 1h6g h ASN 609 Ca 0.28 -0.00 -0.28 0.00 0.71 0.00 0.00 56.30 57.00 1h6g h ASN 609 Cb 0.32 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.37 1h6g h ASN 609 CO -0.28 0.03 -1.26 -0.08 -1.29 0.00 0.00 177.43 174.54 1h6g h GLU 610 N 0.05 0.35 -0.34 6.67 4.81 -1.88 -2.19 114.58 122.05 1h6g h GLU 610 Ca 0.06 -0.57 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1h6g h GLU 610 Cb 0.20 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1h6g h GLU 610 CO -0.00 1.26 0.18 0.35 -0.73 0.00 0.00 179.01 180.07 1h6g h PHE 611 N 0.11 0.47 -0.25 0.92 3.04 -0.77 -0.30 116.94 120.17 1h6g h PHE 611 Ca -0.16 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.70 1h6g h PHE 611 Cb 1.97 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 40.33 1h6g h PHE 611 CO 0.08 0.38 -0.17 0.82 -2.02 0.00 0.00 178.31 177.40 1h6g h ILE 612 N 0.43 1.31 -0.72 1.41 2.04 -0.59 -1.69 117.51 119.69 1h6g h ILE 612 Ca 0.12 -1.29 0.08 0.00 1.00 0.00 0.00 64.86 64.76 1h6g h ILE 612 Cb 0.07 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1h6g h ILE 612 CO -0.02 0.40 0.39 0.44 0.00 0.00 0.00 178.15 179.37 1h6g h ASP 613 N 0.27 0.56 0.21 1.72 3.32 -1.29 -1.45 116.42 119.76 1h6g h ASP 613 Ca 0.05 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1h6g h ASP 613 Cb 0.70 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1h6g h ASP 613 CO 0.05 0.34 -0.48 0.00 -1.72 0.00 0.00 179.24 177.43 1h6g h ALA 614 N 1.40 0.94 -0.20 3.45 0.00 -0.92 -1.91 119.26 122.02 1h6g h ALA 614 Ca 0.34 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1h6g h ALA 614 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h6g h ALA 614 CO -0.22 0.65 -0.63 0.66 0.00 0.00 0.00 179.25 179.71 1h6g h SER 615 N 0.26 0.80 0.67 0.00 4.64 -0.81 -2.56 113.55 116.56 1h6g h SER 615 Ca 0.01 -0.47 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1h6g h SER 615 Cb 0.95 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1h6g h SER 615 CO 0.08 1.24 -0.29 0.03 -0.87 0.00 0.00 176.83 177.02 1h6g h ARG 616 N 0.52 0.00 0.00 4.77 3.08 -1.21 -1.85 114.38 119.68 1h6g h ARG 616 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1h6g h ARG 616 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1h6g h ARG 616 CO 0.13 0.29 -0.66 -0.07 -1.07 0.00 0.00 179.97 178.58 1h6g h LEU 617 N 0.00 0.00 -0.00 3.04 3.38 -1.16 -1.48 115.31 119.09 1h6g h LEU 617 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h6g h LEU 617 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1h6g h LEU 617 CO 0.04 0.66 0.00 0.58 0.09 0.00 0.00 178.44 179.81 1h6g h VAL 618 N 0.00 1.03 -0.56 1.22 2.07 -0.93 0.29 116.25 119.38 1h6g h VAL 618 Ca -0.01 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1h6g h VAL 618 Cb 1.18 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1h6g h VAL 618 CO 0.09 0.02 0.31 0.22 0.02 0.00 0.00 177.57 178.23 1h6g h TYR 619 N -0.03 0.56 -0.15 1.57 3.20 -1.19 -0.82 116.97 120.11 1h6g h TYR 619 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1h6g h TYR 619 Cb 0.04 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1h6g h TYR 619 CO -0.07 0.29 -0.17 -0.44 -1.64 0.00 0.00 178.16 176.13 1h6g h ASP 620 N 0.59 0.24 -0.73 -2.11 3.32 -0.93 -1.08 116.42 115.72 1h6g h ASP 620 Ca 0.24 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1h6g h ASP 620 Cb 0.11 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1h6g h ASP 620 CO -0.15 0.43 0.39 1.23 -1.72 0.00 0.00 179.24 179.42 1h6g h GLY 621 N 0.82 1.09 0.93 2.75 0.00 0.90 0.41 103.07 109.97 1h6g h GLY 621 Ca 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1h6g h GLY 621 CO 0.03 0.48 0.07 -2.22 0.00 0.00 0.00 176.54 174.90 1h6g h ILE 622 N 1.00 1.24 -0.56 2.60 1.08 -0.65 -1.97 117.51 120.25 1h6g h ILE 622 Ca 0.25 -0.83 -0.05 0.00 -0.39 0.00 0.00 64.86 63.85 1h6g h ILE 622 Cb 0.05 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1h6g h ILE 622 CO -0.04 0.28 0.16 0.03 -0.69 0.00 0.00 178.15 177.89 1h6g h ARG 623 N 0.48 0.85 -0.26 2.37 3.08 -0.68 -1.81 114.38 118.42 1h6g h ARG 623 Ca 0.12 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1h6g h ARG 623 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1h6g h ARG 623 CO 0.01 0.75 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.99 1h6g h ASP 624 N 0.82 0.48 -0.11 7.04 3.32 0.02 -1.08 116.42 126.92 1h6g h ASP 624 Ca 0.18 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1h6g h ASP 624 Cb 0.27 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1h6g h ASP 624 CO -0.01 0.71 0.04 0.40 -1.72 0.00 0.00 179.24 178.67 1h6g h ILE 625 N 0.43 1.16 -0.73 0.35 2.04 -0.57 0.68 117.51 120.86 1h6g h ILE 625 Ca 0.07 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1h6g h ILE 625 Cb 0.64 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1h6g h ILE 625 CO 0.05 0.14 0.48 -0.09 0.00 0.00 0.00 178.15 178.72 1h6g h ARG 626 N 0.01 0.94 -0.18 2.37 2.43 -1.19 0.31 114.38 119.07 1h6g h ARG 626 Ca 0.04 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1h6g h ARG 626 Cb 0.18 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1h6g h ARG 626 CO -0.00 0.62 -0.03 0.87 -1.51 0.00 0.00 179.97 179.92 1h6g h LYS 627 N 0.96 0.02 -0.42 0.20 1.57 -0.93 -0.70 116.57 117.28 1h6g h LYS 627 Ca 0.28 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1h6g h LYS 627 Cb -0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1h6g h LYS 627 CO -0.07 0.02 0.28 0.00 -0.57 0.00 0.00 179.45 179.10 1h6g h ALA 628 N 1.17 0.54 -0.15 3.86 0.00 -0.22 -1.51 119.26 122.95 1h6g h ALA 628 Ca 0.09 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1h6g h ALA 628 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1h6g h ALA 628 CO -0.17 -0.01 0.11 0.28 0.00 0.00 0.00 179.25 179.46 1h6g h VAL 629 N 0.57 0.92 0.00 0.00 2.07 -0.61 -3.39 116.25 115.81 1h6g h VAL 629 Ca 0.16 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.42 1h6g h VAL 629 Cb -0.06 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1h6g h VAL 629 CO -0.03 0.00 -1.61 0.18 0.02 0.00 0.00 177.57 176.13 1h6g n LEU 630 N -4.48 1.90 0.00 2.57 4.77 -0.30 -5.10 117.00 116.36 1h6g n LEU 630 Ca 0.01 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1h6g n LEU 630 Cb 0.23 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1h6g n LEU 630 CO 0.35 0.22 0.00 -0.38 -1.33 0.00 0.00 177.39 176.25