#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngn s TRP 412 N 0.00 3.26 -0.26 2.13 -0.11 -1.26 -5.01 118.94 117.70 1ngn s TRP 412 Ca 0.00 1.37 0.01 0.00 1.22 0.00 0.00 56.10 58.71 1ngn s TRP 412 Cb 0.00 -3.40 0.05 0.00 -1.50 0.00 0.00 33.47 28.62 1ngn s TRP 412 CO 0.00 -0.62 -0.09 0.99 -4.62 0.00 0.00 176.95 172.61 1ngn s THR 413 N 3.35 2.41 0.12 5.86 2.01 -1.26 -4.97 115.64 123.15 1ngn s THR 413 Ca 0.45 -1.43 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 1ngn s THR 413 Cb -0.15 -2.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.93 1ngn s THR 413 CO 0.09 0.05 1.65 -2.84 -0.69 0.00 0.00 174.62 172.87 1ngn s PRO 414 N 1.18 4.19 0.77 4.92 0.02 -1.26 -4.95 135.00 139.87 1ngn s PRO 414 Ca -0.06 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.21 1ngn s PRO 414 Cb -0.19 -3.42 0.06 0.00 0.02 0.00 0.00 34.50 30.98 1ngn s PRO 414 CO -0.05 -0.70 1.19 -1.25 -0.33 0.00 0.00 177.00 175.86 1ngn s PRO 415 N 2.05 1.94 -0.02 5.54 0.04 -1.26 -4.96 135.00 138.32 1ngn s PRO 415 Ca 0.73 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.18 1ngn s PRO 415 Cb -0.42 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1ngn s PRO 415 CO 0.32 -1.97 0.92 -0.98 0.04 0.00 0.00 177.00 175.33 1ngn s ARG 416 N -4.10 4.52 0.29 4.56 3.03 -1.26 -5.05 118.95 120.94 1ngn s ARG 416 Ca 0.72 1.30 0.07 0.00 2.03 0.00 0.00 55.73 59.85 1ngn s ARG 416 Cb -0.27 -3.46 -0.03 0.00 -1.03 0.00 0.00 34.95 30.16 1ngn s ARG 416 CO 0.48 -0.05 0.33 -1.54 -1.13 0.00 0.00 175.30 173.40 1ngn s SER 417 N 0.98 5.78 0.00 -2.89 1.04 -1.26 -4.99 113.70 112.36 1ngn s SER 417 Ca 0.49 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1ngn s SER 417 Cb -0.20 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1ngn s SER 417 CO 0.25 -0.22 0.85 -0.81 0.98 0.00 0.00 173.24 174.29 1ngn n PRO 418 N -1.40 0.92 0.00 4.02 -0.04 -1.26 -3.19 135.00 134.04 1ngn n PRO 418 Ca -0.05 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.50 1ngn n PRO 418 Cb 0.58 -1.07 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 1ngn n PRO 418 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ngn n PHE 419 N -0.42 0.00 -4.19 0.54 3.01 -1.26 -5.01 117.46 110.13 1ngn n PHE 419 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.12 1ngn n PHE 419 Cb 0.04 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 1ngn n PHE 419 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1ngn n ASN 420 N -0.81 -0.76 -4.75 4.37 2.04 -1.19 -4.89 115.26 109.26 1ngn n ASN 420 Ca 0.05 -1.24 -0.37 0.00 -0.44 0.00 0.00 54.58 52.58 1ngn n ASN 420 Cb 0.33 -1.87 0.04 0.00 -2.53 0.00 0.00 39.78 35.75 1ngn n ASN 420 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1ngn s LEU 421 N -7.32 3.74 0.49 -4.53 1.43 -1.26 -4.88 118.68 106.35 1ngn s LEU 421 Ca 0.15 2.54 0.22 0.00 -1.03 0.00 0.00 54.13 56.01 1ngn s LEU 421 Cb -0.08 -4.47 1.28 0.00 0.03 0.00 0.00 46.19 42.95 1ngn s LEU 421 CO 0.97 -1.59 2.04 1.62 0.23 0.00 0.00 176.35 179.62 1ngn h VAL 422 N 1.09 0.79 0.00 -1.59 3.04 -2.02 -1.85 116.25 115.72 1ngn h VAL 422 Ca -0.51 -0.58 -0.01 0.00 -1.01 0.00 0.00 66.70 64.59 1ngn h VAL 422 Cb 1.30 1.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.92 1ngn h VAL 422 CO 0.56 0.15 -0.06 1.56 -1.01 0.00 0.00 177.57 178.77 1ngn h GLN 423 N 0.00 0.00 0.00 4.17 7.50 -1.94 -1.72 115.11 123.12 1ngn h GLN 423 Ca -0.00 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 1ngn h GLN 423 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.85 1ngn h GLN 423 CO 0.02 0.06 -0.27 0.93 -1.50 0.00 0.00 178.83 178.07 1ngn h GLU 424 N 0.00 0.00 0.00 1.46 5.08 -1.69 -1.40 114.58 118.03 1ngn h GLU 424 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1ngn h GLU 424 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ngn h GLU 424 CO 0.01 0.27 -1.54 -0.89 -1.00 0.00 0.00 179.01 175.86 1ngn n ILE 425 N -3.42 1.25 0.54 3.13 5.41 -0.68 -4.42 119.36 121.17 1ngn n ILE 425 Ca 0.00 -0.72 0.07 0.00 1.00 0.00 0.00 62.75 63.11 1ngn n ILE 425 Cb 0.46 -0.76 0.07 0.00 -0.71 0.00 0.00 39.64 38.69 1ngn n ILE 425 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ngn n LEU 426 N -2.89 2.26 0.03 1.39 4.77 -1.01 -4.64 117.00 116.90 1ngn n LEU 426 Ca -0.12 -1.07 0.19 0.00 -0.03 0.00 0.00 56.01 54.99 1ngn n LEU 426 Cb 0.89 -0.02 0.70 0.00 -2.33 0.00 0.00 43.42 42.66 1ngn n LEU 426 CO 0.43 0.43 1.18 2.19 -1.33 0.00 0.00 177.39 180.28 1ngn h PHE 427 N 2.79 0.00 -0.06 -1.77 -5.15 -1.46 -1.50 116.94 109.78 1ngn h PHE 427 Ca 0.00 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.79 1ngn h PHE 427 Cb 0.61 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.78 1ngn h PHE 427 CO 0.02 0.00 0.07 1.12 -2.00 0.00 0.00 178.31 177.52 1ngn h HIS 428 N 0.00 0.00 -3.44 6.09 2.07 -1.87 -3.33 115.15 114.66 1ngn h HIS 428 Ca 0.22 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 57.12 1ngn h HIS 428 Cb 0.93 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.51 1ngn h HIS 428 CO 0.00 0.00 -0.74 0.34 -3.07 0.00 0.00 177.93 174.46 1ngn s ASP 429 N -6.06 4.38 0.40 3.10 3.68 -0.57 -5.00 116.67 116.60 1ngn s ASP 429 Ca -0.05 -1.86 0.15 0.00 2.13 0.00 0.00 52.55 52.92 1ngn s ASP 429 Cb 0.15 -1.25 1.00 0.00 -1.45 0.00 0.00 42.92 41.36 1ngn s ASP 429 CO 0.55 -0.39 1.86 -0.65 0.13 0.00 0.00 175.17 176.68 1ngn h PRO 430 N 7.85 0.48 -0.30 4.34 0.11 -1.76 -1.08 132.00 141.65 1ngn h PRO 430 Ca -0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1ngn h PRO 430 Cb 1.02 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1ngn h PRO 430 CO 0.49 0.32 0.13 2.35 -0.21 0.00 0.00 178.00 181.08 1ngn h TRP 431 N 0.50 0.45 -0.40 0.65 7.01 -1.94 0.76 115.95 122.97 1ngn h TRP 431 Ca 0.46 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.34 1ngn h TRP 431 Cb 1.01 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 1ngn h TRP 431 CO -0.00 0.43 -0.11 0.87 -2.79 0.00 0.00 178.44 176.83 1ngn h LYS 432 N 0.34 0.72 -0.21 2.65 1.57 -1.57 0.55 116.57 120.62 1ngn h LYS 432 Ca 0.10 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1ngn h LYS 432 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1ngn h LYS 432 CO -0.01 0.81 -0.04 1.25 -0.57 0.00 0.00 179.45 180.89 1ngn h LEU 433 N 0.65 0.39 -0.91 2.94 7.12 -0.99 -1.42 115.31 123.09 1ngn h LEU 433 Ca 0.11 -0.35 -0.09 0.00 0.13 0.00 0.00 57.88 57.68 1ngn h LEU 433 Cb 0.57 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1ngn h LEU 433 CO 0.04 0.65 -0.19 -0.07 -0.13 0.00 0.00 178.44 178.74 1ngn h LEU 434 N 0.12 0.58 -0.28 2.25 3.38 -0.64 -2.23 115.31 118.50 1ngn h LEU 434 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ngn h LEU 434 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ngn h LEU 434 CO 0.02 0.78 0.18 0.40 0.09 0.00 0.00 178.44 179.91 1ngn h ILE 435 N 0.53 1.08 -0.81 1.22 1.08 -0.74 -1.51 117.51 118.36 1ngn h ILE 435 Ca 0.08 -0.16 0.11 0.00 -0.39 0.00 0.00 64.86 64.50 1ngn h ILE 435 Cb 0.62 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 34.97 1ngn h ILE 435 CO 0.04 0.08 0.43 0.00 -0.69 0.00 0.00 178.15 178.01 1ngn h ALA 436 N 1.09 1.17 0.00 1.87 0.00 -0.81 0.81 119.26 123.39 1ngn h ALA 436 Ca 0.10 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ngn h ALA 436 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ngn h ALA 436 CO -0.02 -0.01 -0.37 1.79 0.00 0.00 0.00 179.25 180.64 1ngn h THR 437 N 0.68 1.24 -0.13 0.00 1.35 -0.80 0.25 112.91 115.50 1ngn h THR 437 Ca 0.41 -1.29 -0.02 0.00 -0.55 0.00 0.00 66.41 64.96 1ngn h THR 437 Cb 0.48 1.70 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1ngn h THR 437 CO -0.30 0.37 0.01 0.40 -0.25 0.00 0.00 175.52 175.75 1ngn h ILE 438 N 0.00 1.24 -0.71 6.82 2.04 0.09 -1.10 117.51 125.89 1ngn h ILE 438 Ca -0.00 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1ngn h ILE 438 Cb 0.67 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1ngn h ILE 438 CO 0.05 0.22 0.35 -0.26 0.00 0.00 0.00 178.15 178.51 1ngn h PHE 439 N -0.02 1.02 0.00 1.37 -1.00 -0.78 -2.90 116.94 114.63 1ngn h PHE 439 Ca 0.04 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1ngn h PHE 439 Cb 0.33 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1ngn h PHE 439 CO 0.03 0.75 0.00 -0.07 -1.61 0.00 0.00 178.31 177.40 1ngn h LEU 440 N 0.99 0.00 -9.02 1.54 4.07 -0.90 -3.41 115.31 108.59 1ngn h LEU 440 Ca 0.25 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.62 1ngn h LEU 440 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1ngn h LEU 440 CO -0.03 0.00 1.47 -3.20 -1.08 0.00 0.00 178.44 175.60 1ngn n ASN 441 N -2.41 3.35 -0.66 -0.43 5.15 -0.42 -1.59 115.26 118.25 1ngn n ASN 441 Ca 0.04 0.26 -0.09 0.00 -0.60 0.00 0.00 54.58 54.20 1ngn n ASN 441 Cb 0.40 -1.56 -0.04 0.00 -0.53 0.00 0.00 39.78 38.05 1ngn n ASN 441 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ngn n ARG 442 N 8.65 -1.37 -5.10 1.20 1.74 -1.26 -4.97 116.66 115.56 1ngn n ARG 442 Ca 0.29 0.76 -0.28 0.00 -0.77 0.00 0.00 57.85 57.84 1ngn n ARG 442 Cb 0.45 -4.95 -0.16 0.00 -1.02 0.00 0.00 32.46 26.77 1ngn n ARG 442 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ngn s THR 443 N -1.94 1.76 0.28 0.55 2.01 -0.62 -5.11 115.64 112.58 1ngn s THR 443 Ca 0.00 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 1ngn s THR 443 Cb 0.00 -1.46 -0.11 0.00 0.01 0.00 0.00 72.50 70.93 1ngn s THR 443 CO 0.00 0.50 1.62 -0.55 -0.69 0.00 0.00 174.62 175.49 1ngn s SER 444 N -0.48 6.36 0.23 3.53 0.15 -1.26 -4.73 113.70 117.50 1ngn s SER 444 Ca 0.08 2.95 -0.07 0.00 0.70 0.00 0.00 55.95 59.61 1ngn s SER 444 Cb -0.09 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 61.79 1ngn s SER 444 CO -0.01 -0.93 1.85 1.23 1.20 0.00 0.00 173.24 176.58 1ngn h GLY 445 N 5.07 1.34 1.11 9.45 0.00 -1.96 0.17 103.07 118.24 1ngn h GLY 445 Ca -0.47 -0.62 0.08 0.00 0.00 0.00 0.00 47.33 46.32 1ngn h GLY 445 CO 0.81 0.59 0.40 0.07 0.00 0.00 0.00 176.54 178.42 1ngn h LYS 446 N 1.25 0.49 0.01 4.80 -0.00 -2.01 -1.52 116.57 119.59 1ngn h LYS 446 Ca 0.31 -0.03 -0.22 0.00 -0.00 0.00 0.00 60.65 60.71 1ngn h LYS 446 Cb 0.05 -0.11 -0.03 0.00 -0.00 0.00 0.00 32.23 32.14 1ngn h LYS 446 CO -0.05 0.32 -1.19 0.52 -0.00 0.00 0.00 179.45 179.06 1ngn h MET 447 N 0.50 0.03 -0.58 0.07 2.07 -1.79 -3.42 114.93 111.81 1ngn h MET 447 Ca 0.27 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.80 1ngn h MET 447 Cb 0.41 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.13 1ngn h MET 447 CO -0.08 1.02 0.16 0.00 1.07 0.00 0.00 176.91 179.08 1ngn h ALA 448 N -0.39 0.76 -0.10 6.32 0.00 -0.59 -3.33 119.26 121.93 1ngn h ALA 448 Ca -0.32 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1ngn h ALA 448 Cb 1.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1ngn h ALA 448 CO -0.16 0.45 -0.07 0.82 0.00 0.00 0.00 179.25 180.29 1ngn h ILE 449 N 0.83 0.78 -0.55 0.00 2.04 -1.50 0.18 117.51 119.29 1ngn h ILE 449 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 1ngn h ILE 449 Cb 0.32 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1ngn h ILE 449 CO -0.00 0.00 0.16 -0.65 0.00 0.00 0.00 178.15 177.66 1ngn h PRO 450 N -0.08 0.31 -0.37 2.37 0.11 -1.80 -1.05 132.00 131.48 1ngn h PRO 450 Ca 0.07 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1ngn h PRO 450 Cb 0.18 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1ngn h PRO 450 CO -0.15 0.21 -0.07 0.28 -0.21 0.00 0.00 178.00 178.06 1ngn h VAL 451 N 0.32 1.23 -0.33 3.15 2.07 -1.60 -2.60 116.25 118.50 1ngn h VAL 451 Ca 0.27 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1ngn h VAL 451 Cb 0.35 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1ngn h VAL 451 CO -0.31 0.34 0.19 0.25 0.02 0.00 0.00 177.57 178.06 1ngn h LEU 452 N 0.58 0.40 -1.30 2.57 5.85 0.23 0.36 115.31 124.01 1ngn h LEU 452 Ca 0.11 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1ngn h LEU 452 Cb 0.47 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1ngn h LEU 452 CO 0.02 0.36 0.05 -0.50 -0.34 0.00 0.00 178.44 178.03 1ngn h TRP 453 N 0.41 0.53 -0.14 1.25 -0.00 -1.06 -0.23 115.95 116.71 1ngn h TRP 453 Ca 0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 58.95 1ngn h TRP 453 Cb 0.04 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 1ngn h TRP 453 CO -0.03 0.49 0.01 1.49 -0.00 0.00 0.00 178.44 180.40 1ngn h GLU 454 N 0.51 0.24 -0.12 0.49 4.81 -1.02 -1.86 114.58 117.62 1ngn h GLU 454 Ca 0.12 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1ngn h GLU 454 Cb 0.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1ngn h GLU 454 CO 0.00 0.44 0.07 0.35 -0.73 0.00 0.00 179.01 179.15 1ngn h PHE 455 N -0.00 0.14 0.00 0.92 3.57 -0.55 -2.16 116.94 118.86 1ngn h PHE 455 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ngn h PHE 455 Cb 0.32 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1ngn h PHE 455 CO 0.02 0.09 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.08 1ngn h LEU 456 N 0.16 0.00 0.04 0.59 3.38 -1.00 0.55 115.31 119.02 1ngn h LEU 456 Ca 0.05 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.74 1ngn h LEU 456 Cb -0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ngn h LEU 456 CO -0.02 0.04 -1.14 -0.08 0.09 0.00 0.00 178.44 177.33 1ngn h GLU 457 N 0.00 0.64 0.01 1.13 4.81 -0.72 -2.68 114.58 117.77 1ngn h GLU 457 Ca -0.00 -0.77 -0.27 0.00 -0.13 0.00 0.00 59.36 58.19 1ngn h GLU 457 Cb 0.18 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1ngn h GLU 457 CO 0.00 1.34 -1.52 0.87 -0.73 0.00 0.00 179.01 178.97 1ngn h LYS 458 N 0.32 0.02 -2.22 1.92 1.57 -0.90 -3.40 116.57 113.88 1ngn h LYS 458 Ca -0.15 -0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.01 1ngn h LYS 458 Cb 1.80 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.72 1ngn h LYS 458 CO 0.22 0.67 -0.82 0.66 -0.57 0.00 0.00 179.45 179.61 1ngn n TYR 459 N -3.16 1.65 0.38 -1.35 4.02 0.19 -4.98 117.16 113.91 1ngn n TYR 459 Ca -0.13 -3.87 0.05 0.00 -0.01 0.00 0.00 57.90 53.94 1ngn n TYR 459 Cb 1.02 -0.41 0.22 0.00 -0.02 0.00 0.00 39.34 40.16 1ngn n TYR 459 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1ngn n PRO 460 N 1.36 0.04 -4.04 -0.72 -0.04 -1.01 -4.41 135.00 126.18 1ngn n PRO 460 Ca 0.26 0.29 -0.10 0.00 -0.04 0.00 0.00 63.50 63.91 1ngn n PRO 460 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1ngn n PRO 460 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ngn s SER 461 N -2.88 0.14 0.31 3.54 1.04 -1.26 -5.03 113.70 109.56 1ngn s SER 461 Ca 0.06 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.51 1ngn s SER 461 Cb 0.07 0.39 0.51 0.00 0.10 0.00 0.00 66.02 67.08 1ngn s SER 461 CO 0.17 -0.84 1.80 0.00 0.98 0.00 0.00 173.24 175.36 1ngn h ALA 462 N 2.66 1.24 -0.58 5.32 0.00 -1.92 0.84 119.26 126.81 1ngn h ALA 462 Ca -0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1ngn h ALA 462 Cb 1.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ngn h ALA 462 CO 0.52 0.50 0.19 0.93 0.00 0.00 0.00 179.25 181.38 1ngn h GLU 463 N 0.47 0.89 0.07 0.00 3.07 -1.96 0.88 114.58 118.01 1ngn h GLU 463 Ca 0.09 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1ngn h GLU 463 Cb 0.49 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1ngn h GLU 463 CO 0.03 0.80 -0.03 0.28 -1.40 0.00 0.00 179.01 178.68 1ngn h VAL 464 N 0.81 1.20 -0.69 3.13 2.07 -1.86 -3.11 116.25 117.81 1ngn h VAL 464 Ca 0.19 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1ngn h VAL 464 Cb 0.27 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1ngn h VAL 464 CO -0.01 0.26 0.45 0.00 0.02 0.00 0.00 177.57 178.30 1ngn h ALA 465 N 0.27 1.62 0.00 1.67 0.00 -0.74 -2.26 119.26 119.82 1ngn h ALA 465 Ca -0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ngn h ALA 465 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ngn h ALA 465 CO 0.02 0.31 -0.33 0.07 0.00 0.00 0.00 179.25 179.31 1ngn h ARG 466 N 0.82 0.00 -0.02 0.00 0.11 -0.86 -2.92 114.38 111.50 1ngn h ARG 466 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 1ngn h ARG 466 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1ngn h ARG 466 CO -0.08 0.33 -0.11 0.00 0.10 0.00 0.00 179.97 180.22 1ngn n ALA 467 N -2.28 2.73 -1.00 0.08 0.00 -0.96 -4.86 120.51 114.21 1ngn n ALA 467 Ca -0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 1ngn n ALA 467 Cb 0.48 -0.91 0.13 0.00 0.00 0.00 0.00 19.45 19.16 1ngn n ALA 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ngn s ALA 468 N -2.12 1.75 -0.31 0.00 0.00 -0.89 -5.01 121.76 115.17 1ngn s ALA 468 Ca 0.28 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 1ngn s ALA 468 Cb 0.20 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1ngn s ALA 468 CO 0.37 -2.31 0.45 0.34 0.00 0.00 0.00 175.76 174.61 1ngn s ASP 469 N -3.08 6.30 0.53 0.00 -1.08 -1.26 -4.96 116.67 113.12 1ngn s ASP 469 Ca 0.64 0.13 0.19 0.00 -0.52 0.00 0.00 52.55 52.99 1ngn s ASP 469 Cb -0.20 -2.24 1.37 0.00 -1.46 0.00 0.00 42.92 40.39 1ngn s ASP 469 CO 0.57 -0.34 2.15 4.11 0.52 0.00 0.00 175.17 182.18 1ngn h TRP 470 N 8.30 0.00 -0.66 -5.34 5.08 -1.95 -1.38 115.95 120.00 1ngn h TRP 470 Ca -0.29 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.60 1ngn h TRP 470 Cb 1.14 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.28 1ngn h TRP 470 CO 0.73 0.00 0.10 0.00 -1.28 0.00 0.00 178.44 177.99 1ngn h ARG 471 N 0.00 1.10 -0.32 0.12 3.08 -1.96 0.12 114.38 116.51 1ngn h ARG 471 Ca 0.03 -0.30 -0.17 0.00 0.07 0.00 0.00 59.98 59.61 1ngn h ARG 471 Cb 0.11 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ngn h ARG 471 CO -0.00 1.01 -0.46 -0.44 -1.07 0.00 0.00 179.97 179.01 1ngn h ASP 472 N 1.02 0.96 -0.33 7.04 3.32 -1.70 -2.57 116.42 124.15 1ngn h ASP 472 Ca 0.20 -0.50 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1ngn h ASP 472 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1ngn h ASP 472 CO 0.01 1.28 0.06 0.58 -1.72 0.00 0.00 179.24 179.45 1ngn h VAL 473 N 0.67 1.23 0.00 -1.35 2.07 -1.14 -2.71 116.25 115.03 1ngn h VAL 473 Ca 0.03 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1ngn h VAL 473 Cb 1.06 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1ngn h VAL 473 CO 0.11 0.26 -0.04 0.77 0.02 0.00 0.00 177.57 178.68 1ngn h SER 474 N 0.37 0.00 -0.50 0.57 4.64 -0.75 -0.91 113.55 116.96 1ngn h SER 474 Ca 0.10 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 1ngn h SER 474 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1ngn h SER 474 CO 0.00 0.04 -0.14 -0.08 -0.87 0.00 0.00 176.83 175.79 1ngn h GLU 475 N 0.00 1.00 0.00 4.77 4.57 -1.15 -2.16 114.58 121.61 1ngn h GLU 475 Ca -0.00 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 57.77 1ngn h GLU 475 Cb 0.09 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1ngn h GLU 475 CO 0.01 1.06 -0.17 1.25 -1.18 0.00 0.00 179.01 179.98 1ngn h LEU 476 N 0.88 0.00 -2.38 1.64 6.46 -1.00 -3.11 115.31 117.80 1ngn h LEU 476 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1ngn h LEU 476 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1ngn h LEU 476 CO 0.05 0.17 0.00 0.18 -0.62 0.00 0.00 178.44 178.22 1ngn n LEU 477 N -3.24 3.51 -0.30 2.25 4.32 -0.61 -4.55 117.00 118.39 1ngn n LEU 477 Ca 0.01 -1.76 0.01 0.00 -0.02 0.00 0.00 56.01 54.26 1ngn n LEU 477 Cb 0.46 -0.44 0.15 0.00 -1.62 0.00 0.00 43.42 41.97 1ngn n LEU 477 CO 0.33 0.80 1.17 0.11 -1.22 0.00 0.00 177.39 178.58 1ngn h LYS 478 N 3.60 0.86 0.00 3.23 1.57 -1.37 -2.29 116.57 122.16 1ngn h LYS 478 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ngn h LYS 478 Cb 0.93 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1ngn h LYS 478 CO 0.05 0.57 0.07 -2.30 -0.57 0.00 0.00 179.45 177.27 1ngn n PRO 479 N -4.68 0.01 -0.00 3.15 -0.02 -1.26 -1.29 135.00 130.91 1ngn n PRO 479 Ca 0.12 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.12 1ngn n PRO 479 Cb 0.21 -1.61 0.06 0.00 -0.02 0.00 0.00 33.50 32.14 1ngn n PRO 479 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ngn n LEU 480 N -1.50 2.13 -0.90 2.45 4.77 -0.86 -5.03 117.00 118.07 1ngn n LEU 480 Ca -0.00 -1.02 0.11 0.00 -0.03 0.00 0.00 56.01 55.07 1ngn n LEU 480 Cb 0.08 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1ngn n LEU 480 CO 0.01 0.40 -0.30 0.61 -1.33 0.00 0.00 177.39 176.77 1ngn n GLY 481 N 0.75 -2.51 2.83 -0.72 0.00 -0.41 -4.80 105.19 100.34 1ngn n GLY 481 Ca 0.08 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1ngn n GLY 481 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ngn n LEU 482 N -3.60 -0.97 0.27 0.99 7.94 -1.26 -4.81 117.00 115.55 1ngn n LEU 482 Ca -0.03 0.03 0.10 0.00 -1.11 0.00 0.00 56.01 54.99 1ngn n LEU 482 Cb 0.42 -1.83 0.71 0.00 0.53 0.00 0.00 43.42 43.25 1ngn n LEU 482 CO 0.02 0.00 1.08 0.10 -1.11 0.00 0.00 177.39 177.48 1ngn h TYR 483 N -0.34 0.00 -0.15 1.96 -0.00 -1.86 -1.85 116.97 114.74 1ngn h TYR 483 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.24 1ngn h TYR 483 Cb 1.19 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.93 1ngn h TYR 483 CO 0.74 0.00 -0.76 -0.44 -0.00 0.00 0.00 178.16 177.70 1ngn h ASP 484 N 0.00 0.87 -0.10 0.10 5.19 -1.87 -2.13 116.42 118.48 1ngn h ASP 484 Ca 0.00 -0.57 -0.05 0.00 -0.62 0.00 0.00 57.03 55.79 1ngn h ASP 484 Cb 0.00 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.26 1ngn h ASP 484 CO -0.00 1.36 -0.13 0.25 -3.12 0.00 0.00 179.24 177.60 1ngn h LEU 485 N 0.50 0.29 0.02 1.55 5.85 -1.87 -2.77 115.31 118.88 1ngn h LEU 485 Ca -0.05 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1ngn h LEU 485 Cb 1.38 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1ngn h LEU 485 CO 0.15 0.74 -0.16 0.03 -0.34 0.00 0.00 178.44 178.87 1ngn h ARG 486 N -0.16 -0.26 -0.53 1.25 3.08 -1.40 -1.68 114.38 114.68 1ngn h ARG 486 Ca 0.01 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1ngn h ARG 486 Cb 0.67 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.71 1ngn h ARG 486 CO 0.03 -0.17 0.10 0.00 -1.07 0.00 0.00 179.97 178.86 1ngn h ALA 487 N 0.65 0.60 -0.19 0.04 0.00 -1.43 -0.74 119.26 118.19 1ngn h ALA 487 Ca 0.05 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ngn h ALA 487 Cb 0.33 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ngn h ALA 487 CO -0.14 -0.31 -0.29 0.87 0.00 0.00 0.00 179.25 179.38 1ngn h LYS 488 N 0.24 0.37 -0.12 0.00 1.57 -1.25 -2.27 116.57 115.11 1ngn h LYS 488 Ca 0.27 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1ngn h LYS 488 Cb 0.37 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1ngn h LYS 488 CO -0.35 0.63 -0.02 1.15 -0.57 0.00 0.00 179.45 180.30 1ngn h THR 489 N 0.33 1.28 -0.42 -0.16 2.02 -0.56 -1.14 112.91 114.25 1ngn h THR 489 Ca 0.05 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1ngn h THR 489 Cb 0.69 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 1ngn h THR 489 CO 0.05 0.26 0.14 0.40 0.37 0.00 0.00 175.52 176.74 1ngn h ILE 490 N -0.08 0.85 -0.55 3.11 2.04 -1.07 0.18 117.51 121.99 1ngn h ILE 490 Ca 0.03 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 1ngn h ILE 490 Cb 0.41 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1ngn h ILE 490 CO 0.01 0.05 -0.07 0.40 0.00 0.00 0.00 178.15 178.55 1ngn h ILE 491 N 0.29 1.26 -0.19 -0.67 2.04 -1.36 -1.82 117.51 117.07 1ngn h ILE 491 Ca 0.20 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 1ngn h ILE 491 Cb 0.19 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1ngn h ILE 491 CO -0.21 0.43 -0.19 0.50 0.00 0.00 0.00 178.15 178.68 1ngn h LYS 492 N 0.90 0.46 -0.38 2.37 3.64 -0.80 -2.45 116.57 120.31 1ngn h LYS 492 Ca 0.15 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1ngn h LYS 492 Cb 0.62 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1ngn h LYS 492 CO 0.04 0.82 0.20 0.35 -2.27 0.00 0.00 179.45 178.59 1ngn h PHE 493 N 0.12 0.37 -0.99 1.91 3.57 -0.64 -1.24 116.94 120.05 1ngn h PHE 493 Ca 0.03 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1ngn h PHE 493 Cb 0.74 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 1ngn h PHE 493 CO 0.08 0.20 0.64 0.77 -2.23 0.00 0.00 178.31 177.77 1ngn h SER 494 N 0.41 0.99 -0.17 0.41 0.02 -1.31 0.42 113.55 114.32 1ngn h SER 494 Ca 0.16 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1ngn h SER 494 Cb 0.05 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1ngn h SER 494 CO -0.10 0.62 -0.09 -0.78 -1.14 0.00 0.00 176.83 175.34 1ngn h ASP 495 N 1.12 0.37 -0.59 3.07 3.58 -0.96 -2.83 116.42 120.18 1ngn h ASP 495 Ca 0.43 -0.42 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1ngn h ASP 495 Cb 0.23 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1ngn h ASP 495 CO -0.18 0.71 0.11 -0.33 -2.88 0.00 0.00 179.24 176.66 1ngn h GLU 496 N 0.04 0.97 -0.93 0.28 5.08 -0.63 0.23 114.58 119.62 1ngn h GLU 496 Ca 0.04 -0.26 0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1ngn h GLU 496 Cb 0.57 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1ngn h GLU 496 CO 0.03 0.92 0.55 -0.92 -1.00 0.00 0.00 179.01 178.59 1ngn h TYR 497 N 0.88 1.00 0.00 4.33 3.20 -0.18 0.82 116.97 127.01 1ngn h TYR 497 Ca 0.18 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 1ngn h TYR 497 Cb 0.41 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1ngn h TYR 497 CO 0.03 0.36 -1.19 -0.07 -1.64 0.00 0.00 178.16 175.65 1ngn h LEU 498 N 0.86 0.00 0.00 2.82 3.38 -1.21 -3.40 115.31 117.75 1ngn h LEU 498 Ca 0.47 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.22 1ngn h LEU 498 Cb 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1ngn h LEU 498 CO -0.29 0.35 -1.83 0.35 0.09 0.00 0.00 178.44 177.12 1ngn n THR 499 N -2.83 0.83 -2.55 0.22 -2.24 0.78 -5.00 114.28 103.48 1ngn n THR 499 Ca -0.05 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 1ngn n THR 499 Cb 0.72 -0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 1ngn n THR 499 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ngn s LYS 500 N -2.29 3.93 -0.31 -0.78 1.02 0.28 -5.01 119.74 116.58 1ngn s LYS 500 Ca -0.13 1.16 -0.21 0.00 0.02 0.00 0.00 55.97 56.81 1ngn s LYS 500 Cb 0.04 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1ngn s LYS 500 CO 0.41 -0.29 0.64 -1.14 -0.92 0.00 0.00 175.35 174.05 1ngn s GLN 501 N -3.51 3.86 0.03 1.68 0.74 -1.26 -4.84 119.66 116.37 1ngn s GLN 501 Ca 0.63 0.28 -0.01 0.00 0.05 0.00 0.00 55.36 56.31 1ngn s GLN 501 Cb -0.12 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 1ngn s GLN 501 CO 0.22 -0.61 -0.02 1.67 -0.55 0.00 0.00 175.29 176.00 1ngn s TRP 502 N 2.66 0.36 -0.21 1.67 1.48 -1.26 -5.03 118.94 118.61 1ngn s TRP 502 Ca 0.26 -0.74 0.03 0.00 -1.06 0.00 0.00 56.10 54.58 1ngn s TRP 502 Cb -0.15 -0.26 -0.14 0.00 -1.16 0.00 0.00 33.47 31.75 1ngn s TRP 502 CO 0.12 -0.28 -0.17 0.54 -4.06 0.00 0.00 176.95 173.11 1ngn n ARG 503 N 0.94 0.59 -4.48 3.25 1.74 -1.26 -4.98 116.66 112.46 1ngn n ARG 503 Ca -0.20 0.11 -0.20 0.00 -0.77 0.00 0.00 57.85 56.79 1ngn n ARG 503 Cb 0.58 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 1ngn n ARG 503 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ngn s TYR 504 N -2.42 1.06 0.66 -1.55 1.51 -1.26 -5.04 117.35 110.31 1ngn s TYR 504 Ca -0.27 -0.23 0.38 0.00 -1.01 0.00 0.00 57.07 55.95 1ngn s TYR 504 Cb 0.07 -0.68 2.09 0.00 -0.11 0.00 0.00 41.96 43.34 1ngn s TYR 504 CO 0.50 -0.01 2.21 -1.00 -1.11 0.00 0.00 175.55 176.14 1ngn h PRO 505 N 5.70 0.00 0.00 -1.71 0.13 -1.94 -2.31 132.00 131.87 1ngn h PRO 505 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ngn h PRO 505 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ngn h PRO 505 CO 0.48 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.22 1ngn h ILE 506 N 0.00 0.00 0.00 -3.56 2.10 -1.86 0.19 117.51 114.38 1ngn h ILE 506 Ca 0.01 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1ngn h ILE 506 Cb 0.25 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1ngn h ILE 506 CO -0.00 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.45 1ngn n GLU 507 N -2.72 0.07 -3.49 2.19 1.02 -0.87 -4.80 120.64 112.04 1ngn n GLU 507 Ca -0.02 0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.89 1ngn n GLU 507 Cb 0.07 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 1ngn n GLU 507 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ngn s LEU 508 N -3.44 4.17 0.30 -4.62 1.43 0.66 -5.04 118.68 112.13 1ngn s LEU 508 Ca 0.13 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 1ngn s LEU 508 Cb 0.17 -3.48 -0.11 0.00 0.03 0.00 0.00 46.19 42.79 1ngn s LEU 508 CO 0.53 -0.07 1.53 -2.28 0.23 0.00 0.00 176.35 176.29 1ngn s HIS 509 N -1.85 2.79 0.00 0.29 5.65 -1.26 -2.33 115.29 118.58 1ngn s HIS 509 Ca 0.44 0.94 0.00 0.00 0.25 0.00 0.00 55.06 56.68 1ngn s HIS 509 Cb -0.11 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.30 1ngn s HIS 509 CO 0.25 -3.21 0.00 0.41 -0.65 0.00 0.00 174.74 171.55 1ngn n GLY 510 N 1.77 1.96 3.59 1.59 0.00 -1.26 -4.14 105.19 108.70 1ngn n GLY 510 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1ngn n GLY 510 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngn s ILE 511 N -2.42 4.74 0.00 -0.61 -1.09 -0.98 -4.85 121.20 115.98 1ngn s ILE 511 Ca 0.00 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 1ngn s ILE 511 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1ngn s ILE 511 CO 0.00 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1ngn n GLY 512 N 4.02 7.24 0.19 6.18 0.00 -1.26 -4.61 105.19 116.96 1ngn n GLY 512 Ca -0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 1ngn n GLY 512 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ngn h LYS 513 N 0.00 0.34 -0.38 1.61 3.64 -1.98 -0.67 116.57 119.13 1ngn h LYS 513 Ca 0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1ngn h LYS 513 Cb 0.00 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1ngn h LYS 513 CO 0.00 0.22 0.11 -0.92 -2.27 0.00 0.00 179.45 176.59 1ngn h TYR 514 N 0.35 0.20 -0.30 1.91 3.20 -1.98 0.38 116.97 120.71 1ngn h TYR 514 Ca 0.23 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.97 1ngn h TYR 514 Cb 0.23 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1ngn h TYR 514 CO -0.16 0.06 -0.39 0.78 -1.64 0.00 0.00 178.16 176.81 1ngn h GLY 515 N 0.26 0.78 1.09 1.82 0.00 -1.81 -1.69 103.07 103.53 1ngn h GLY 515 Ca 0.18 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 1ngn h GLY 515 CO -0.20 0.71 -0.28 -0.57 0.00 0.00 0.00 176.54 176.20 1ngn h ASN 516 N 0.59 0.98 -0.57 0.19 -1.24 -0.72 -1.09 115.58 113.71 1ngn h ASN 516 Ca 0.05 -0.43 -0.07 0.00 0.71 0.00 0.00 56.30 56.56 1ngn h ASN 516 Cb 0.93 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 1ngn h ASN 516 CO 0.08 1.20 0.09 0.44 -1.29 0.00 0.00 177.43 177.95 1ngn h ASP 517 N 0.76 0.92 -0.40 1.15 3.32 -0.21 0.24 116.42 122.20 1ngn h ASP 517 Ca 0.08 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ngn h ASP 517 Cb 0.86 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1ngn h ASP 517 CO 0.08 0.95 0.25 0.28 -1.72 0.00 0.00 179.24 179.07 1ngn h SER 518 N 0.85 0.47 -0.29 6.45 0.02 -1.18 -2.02 113.55 117.84 1ngn h SER 518 Ca 0.17 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ngn h SER 518 Cb 0.43 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1ngn h SER 518 CO 0.01 0.37 0.17 0.22 -1.14 0.00 0.00 176.83 176.46 1ngn h TYR 519 N 0.53 0.39 0.00 3.45 3.20 -0.89 -0.89 116.97 122.76 1ngn h TYR 519 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1ngn h TYR 519 Cb -0.02 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1ngn h TYR 519 CO -0.04 0.30 0.00 0.54 -1.64 0.00 0.00 178.16 177.32 1ngn n ARG 520 N -4.84 0.08 -0.08 1.82 1.74 0.05 0.11 116.66 115.53 1ngn n ARG 520 Ca -0.02 0.17 -0.10 0.00 -0.77 0.00 0.00 57.85 57.13 1ngn n ARG 520 Cb 0.06 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.90 1ngn n ARG 520 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ngn n ILE 521 N -1.44 1.06 -0.07 0.55 5.41 -0.78 -2.01 119.36 122.08 1ngn n ILE 521 Ca 0.06 -0.51 -0.07 0.00 1.00 0.00 0.00 62.75 63.22 1ngn n ILE 521 Cb 0.19 -0.91 -0.12 0.00 -0.71 0.00 0.00 39.64 38.09 1ngn n ILE 521 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1ngn n PHE 522 N -2.82 0.00 -0.07 1.39 3.01 -0.35 -4.67 117.46 113.95 1ngn n PHE 522 Ca -0.29 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.14 1ngn n PHE 522 Cb 0.92 -0.74 -0.16 0.00 -0.01 0.00 0.00 39.48 39.48 1ngn n PHE 522 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ngn s VAL 524 N -2.83 1.00 -1.03 0.00 -7.23 -1.02 -4.99 120.40 104.30 1ngn s VAL 524 Ca -0.09 -1.90 -0.18 0.00 -1.81 0.00 0.00 61.98 58.00 1ngn s VAL 524 Cb 0.09 -1.66 0.13 0.00 0.56 0.00 0.00 36.38 35.50 1ngn s VAL 524 CO 0.85 -0.71 1.27 0.21 -0.31 0.00 0.00 175.10 176.42 1ngn s ASN 525 N -2.91 6.75 0.00 4.85 3.84 -1.26 -4.09 114.94 122.12 1ngn s ASN 525 Ca 0.12 -2.27 0.00 0.00 0.21 0.00 0.00 52.86 50.92 1ngn s ASN 525 Cb 0.01 -2.43 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 1ngn s ASN 525 CO -0.01 -1.03 0.94 -0.62 -2.79 0.00 0.00 177.10 173.59 1ngn n GLU 526 N 6.62 0.00 -0.25 0.43 1.02 -0.85 -4.91 120.64 122.70 1ngn n GLU 526 Ca 0.30 -0.87 0.13 0.00 -0.02 0.00 0.00 57.16 56.69 1ngn n GLU 526 Cb 0.47 -0.44 0.41 0.00 -0.02 0.00 0.00 31.44 31.86 1ngn n GLU 526 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 1ngn h TRP 527 N 0.00 0.74 0.00 -0.32 5.08 -1.69 0.00 115.95 119.76 1ngn h TRP 527 Ca 0.00 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 1ngn h TRP 527 Cb 1.35 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 27.27 1ngn h TRP 527 CO 0.05 0.27 -0.04 0.87 -1.28 0.00 0.00 178.44 178.31 1ngn h LYS 528 N 0.63 0.00 0.00 0.12 1.57 -1.91 -1.96 116.57 115.02 1ngn h LYS 528 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1ngn h LYS 528 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1ngn h LYS 528 CO -0.19 0.04 -0.84 1.04 -0.57 0.00 0.00 179.45 178.94 1ngn n GLN 529 N -3.31 0.06 -3.19 3.15 6.02 -0.03 -4.94 117.38 115.14 1ngn n GLN 529 Ca -0.02 -0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.58 1ngn n GLN 529 Cb 0.19 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 1ngn n GLN 529 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ngn s VAL 530 N -3.05 4.80 -0.52 5.09 1.01 -0.74 -5.04 120.40 121.96 1ngn s VAL 530 Ca 0.08 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.39 1ngn s VAL 530 Cb 0.16 -3.95 0.15 0.00 0.00 0.00 0.00 36.38 32.74 1ngn s VAL 530 CO 0.79 0.47 0.32 -1.00 0.00 0.00 0.00 175.10 175.68 1ngn s HIS 531 N -0.54 2.50 0.71 5.22 3.76 -1.26 -5.00 115.29 120.68 1ngn s HIS 531 Ca 0.31 -2.79 -0.16 0.00 -0.15 0.00 0.00 55.06 52.27 1ngn s HIS 531 Cb -0.19 -2.14 0.03 0.00 1.11 0.00 0.00 32.58 31.39 1ngn s HIS 531 CO 0.19 -0.72 1.25 -2.30 -0.85 0.00 0.00 174.74 172.31 1ngn n PRO 532 N 2.95 0.73 0.00 8.40 -0.02 -1.26 -4.97 135.00 140.84 1ngn n PRO 532 Ca 0.14 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1ngn n PRO 532 Cb 0.36 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1ngn n PRO 532 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ngn n GLU 533 N -2.43 0.09 -3.51 -0.52 1.02 -1.26 -4.85 120.64 109.18 1ngn n GLU 533 Ca 0.15 -0.72 -0.37 0.00 -0.02 0.00 0.00 57.16 56.20 1ngn n GLU 533 Cb 0.49 -0.95 -0.06 0.00 -0.02 0.00 0.00 31.44 30.89 1ngn n GLU 533 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ngn s ASP 534 N -0.25 6.58 0.13 1.62 2.15 -1.26 -5.02 116.67 120.62 1ngn s ASP 534 Ca 0.00 0.69 -0.24 0.00 0.43 0.00 0.00 52.55 53.42 1ngn s ASP 534 Cb 0.00 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.38 1ngn s ASP 534 CO 0.00 0.16 1.64 -0.74 -0.17 0.00 0.00 175.17 176.06 1ngn h HIS 535 N 6.04 -0.65 -0.22 -5.34 -0.00 -1.99 0.45 115.15 113.44 1ngn h HIS 535 Ca -0.45 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 59.86 1ngn h HIS 535 Cb 1.19 0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.88 1ngn h HIS 535 CO 0.65 -0.33 -0.23 0.87 -0.00 0.00 0.00 177.93 178.88 1ngn h LYS 536 N -0.33 0.40 -0.52 5.26 1.79 -1.99 -1.53 116.57 119.65 1ngn h LYS 536 Ca 0.09 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 1ngn h LYS 536 Cb 0.46 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1ngn h LYS 536 CO -0.28 0.62 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.64 1ngn h LEU 537 N 0.36 0.90 -1.21 2.94 3.38 -1.90 -1.57 115.31 118.21 1ngn h LEU 537 Ca 0.06 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1ngn h LEU 537 Cb 0.61 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ngn h LEU 537 CO 0.04 0.99 -0.00 0.78 0.09 0.00 0.00 178.44 180.34 1ngn h ASN 538 N 0.78 0.50 -0.18 -0.43 2.35 -0.52 0.19 115.58 118.28 1ngn h ASN 538 Ca 0.15 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1ngn h ASN 538 Cb 0.53 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1ngn h ASN 538 CO 0.03 0.58 0.02 0.11 -1.65 0.00 0.00 177.43 176.52 1ngn h LYS 539 N 0.52 0.30 -0.26 0.81 1.79 -0.92 0.01 116.57 118.82 1ngn h LYS 539 Ca 0.11 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1ngn h LYS 539 Cb 0.34 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1ngn h LYS 539 CO 0.01 0.47 0.05 -0.92 -1.08 0.00 0.00 179.45 177.98 1ngn h TYR 540 N 0.08 0.45 -0.55 -1.35 3.20 -0.92 -2.34 116.97 115.54 1ngn h TYR 540 Ca 0.05 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1ngn h TYR 540 Cb 0.32 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1ngn h TYR 540 CO 0.02 0.53 0.25 1.25 -1.64 0.00 0.00 178.16 178.58 1ngn h HIS 541 N 0.24 0.81 -0.62 -3.82 2.76 -0.58 0.40 115.15 114.34 1ngn h HIS 541 Ca 0.08 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1ngn h HIS 541 Cb 0.32 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1ngn h HIS 541 CO 0.02 0.63 0.32 -0.44 -1.30 0.00 0.00 177.93 177.16 1ngn h ASP 542 N 0.75 0.79 -0.19 3.26 3.32 -0.98 -1.43 116.42 121.93 1ngn h ASP 542 Ca 0.19 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1ngn h ASP 542 Cb 0.14 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1ngn h ASP 542 CO -0.02 0.67 -0.12 -0.25 -1.72 0.00 0.00 179.24 177.80 1ngn h TRP 543 N 0.85 0.63 -0.49 4.55 7.01 -1.10 0.14 115.95 127.53 1ngn h TRP 543 Ca 0.22 -0.10 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 1ngn h TRP 543 Cb 0.07 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 1ngn h TRP 543 CO -0.00 0.68 -0.13 1.25 -2.79 0.00 0.00 178.44 177.45 1ngn h LEU 544 N 0.53 0.96 -0.39 0.65 5.85 -0.49 -1.41 115.31 121.01 1ngn h LEU 544 Ca 0.10 -0.36 -0.13 0.00 0.84 0.00 0.00 57.88 58.33 1ngn h LEU 544 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1ngn h LEU 544 CO 0.03 1.10 -0.25 -0.50 -0.34 0.00 0.00 178.44 178.49 1ngn h TRP 545 N 0.80 1.00 -0.79 1.25 -0.00 -0.96 0.20 115.95 117.45 1ngn h TRP 545 Ca 0.12 -0.26 -0.02 0.00 -0.00 0.00 0.00 58.89 58.73 1ngn h TRP 545 Cb 0.69 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.59 1ngn h TRP 545 CO 0.05 1.05 0.42 1.49 -0.00 0.00 0.00 178.44 181.45 1ngn h GLU 546 N 0.66 1.11 -0.20 0.49 4.81 -0.58 -3.28 114.58 117.59 1ngn h GLU 546 Ca 0.08 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ngn h GLU 546 Cb 0.81 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1ngn h GLU 546 CO 0.07 0.83 0.00 0.09 -0.73 0.00 0.00 179.01 179.27 1ngn n ASN 547 N -4.41 2.79 0.24 1.04 4.13 -0.54 -4.68 115.26 113.83 1ngn n ASN 547 Ca 0.07 -2.30 0.07 0.00 1.68 0.00 0.00 54.58 54.11 1ngn n ASN 547 Cb 0.10 -0.25 0.58 0.00 -1.54 0.00 0.00 39.78 38.68 1ngn n ASN 547 CO 0.00 0.00 0.00 1.12 0.28 0.00 0.00 177.26 178.66 1ngn h HIS 548 N 1.22 0.00 0.20 3.10 2.07 -0.66 -0.91 115.15 120.18 1ngn h HIS 548 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1ngn h HIS 548 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 1ngn h HIS 548 CO 0.19 0.14 -0.10 0.93 -3.07 0.00 0.00 177.93 176.02 1ngn h GLU 549 N 0.00 -0.26 0.00 5.12 5.08 -1.83 -2.97 114.58 119.72 1ngn h GLU 549 Ca -0.00 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ngn h GLU 549 Cb 0.26 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ngn h GLU 549 CO 0.02 -0.02 -0.20 0.87 -1.00 0.00 0.00 179.01 178.67 1ngn h LYS 550 N -0.47 0.00 0.00 2.33 1.57 -1.79 -3.35 116.57 114.86 1ngn h LYS 550 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ngn h LYS 550 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ngn h LYS 550 CO 0.05 0.20 0.00 1.28 -0.57 0.00 0.00 179.45 180.41 1ngn n LEU 551 N -3.59 1.38 0.00 2.94 4.77 -0.39 -5.00 117.00 117.11 1ngn n LEU 551 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1ngn n LEU 551 Cb 0.34 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1ngn n LEU 551 CO 0.32 -0.19 0.00 -1.54 -1.33 0.00 0.00 177.39 174.66 1ngn n SER 552 N -1.06 0.00 -4.44 -1.43 3.41 -1.13 -5.11 113.62 103.86 1ngn n SER 552 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1ngn n SER 552 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1ngn n SER 552 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ngn s LEU 553 N 0.00 2.86 0.00 1.04 1.43 -1.19 -5.06 118.68 117.76 1ngn s LEU 553 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1ngn s LEU 553 Cb 0.00 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1ngn s LEU 553 CO 0.00 -2.24 0.00 -1.20 0.23 0.00 0.00 176.35 173.14