#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b78 n PHE 400 N 0.00 0.00 0.67 0.00 3.72 -1.26 -4.67 117.46 115.92 3b78 n PHE 400 Ca 0.00 -0.79 0.11 0.00 -0.05 0.00 0.00 57.45 56.73 3b78 n PHE 400 Cb 0.00 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 38.51 3b78 n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3b78 n LEU 401 N -1.04 0.63 0.00 4.37 4.77 -1.26 -4.75 117.00 119.71 3b78 n LEU 401 Ca 0.09 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3b78 n LEU 401 Cb 0.48 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3b78 n LEU 401 CO 0.01 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3b78 n GLY 402 N 1.39 -1.74 3.87 -0.72 0.00 -1.26 -4.71 105.19 102.02 3b78 n GLY 402 Ca 0.03 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 3b78 n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b78 s ASP 403 N -4.00 6.57 0.00 1.61 1.01 -1.26 -5.00 116.67 115.60 3b78 s ASP 403 Ca 0.00 0.68 0.00 0.00 0.71 0.00 0.00 52.55 53.94 3b78 s ASP 403 Cb 0.00 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.79 3b78 s ASP 403 CO 0.00 0.28 0.00 0.61 0.21 0.00 0.00 175.17 176.27 3b78 n GLY 404 N 1.38 0.38 3.96 0.21 0.00 -1.26 -4.93 105.19 104.93 3b78 n GLY 404 Ca -0.13 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 3b78 n GLY 404 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b78 s GLY 405 N 0.00 1.78 0.14 -0.02 0.00 -1.26 -5.00 107.32 102.96 3b78 s GLY 405 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 44.72 42.94 3b78 s GLY 405 CO 0.00 -0.74 1.66 0.99 0.00 0.00 0.00 173.10 175.00 3b78 s ASP 406 N -4.86 6.53 0.07 1.64 -0.00 -1.26 -4.92 116.67 113.87 3b78 s ASP 406 Ca 0.72 2.65 -0.23 0.00 -0.00 0.00 0.00 52.55 55.69 3b78 s ASP 406 Cb -0.04 -2.58 -0.06 0.00 -0.00 0.00 0.00 42.92 40.24 3b78 s ASP 406 CO 0.50 -0.89 0.70 -0.69 -0.00 0.00 0.00 175.17 174.79 3b78 s VAL 407 N 1.76 4.67 0.14 -1.27 1.01 -1.26 -4.53 120.40 120.92 3b78 s VAL 407 Ca 0.73 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 64.09 3b78 s VAL 407 Cb -0.44 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 31.91 3b78 s VAL 407 CO 0.32 0.45 0.36 -0.94 0.00 0.00 0.00 175.10 175.29 3b78 s SER 408 N -0.56 -0.10 -0.11 3.32 1.04 -1.22 -5.00 113.70 111.08 3b78 s SER 408 Ca 0.35 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 3b78 s SER 408 Cb -0.21 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3b78 s SER 408 CO 0.22 -0.88 -0.06 -0.36 0.98 0.00 0.00 173.24 173.14 3b78 s PHE 409 N -3.87 2.98 0.05 5.02 0.08 -1.26 -1.08 117.98 119.90 3b78 s PHE 409 Ca 0.08 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 3b78 s PHE 409 Cb 0.02 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3b78 s PHE 409 CO -0.07 0.16 0.25 0.45 -0.10 0.00 0.00 175.22 175.92 3b78 s SER 410 N -0.28 -0.03 0.54 1.36 0.15 -1.17 -4.98 113.70 109.29 3b78 s SER 410 Ca 0.04 -0.34 0.26 0.00 0.70 0.00 0.00 55.95 56.62 3b78 s SER 410 Cb -0.13 0.34 1.51 0.00 -1.71 0.00 0.00 66.02 66.03 3b78 s SER 410 CO 0.02 -0.63 2.13 0.71 1.20 0.00 0.00 173.24 176.68 3b78 h THR 411 N 3.18 0.65 0.00 6.45 1.35 -1.93 0.15 112.91 122.76 3b78 h THR 411 Ca -0.32 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3b78 h THR 411 Cb 1.20 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3b78 h THR 411 CO 0.48 0.08 0.00 0.54 -0.25 0.00 0.00 175.52 176.37 3b78 n ARG 412 N -3.85 0.18 0.00 4.72 1.74 -1.26 -4.49 116.66 113.70 3b78 n ARG 412 Ca -0.02 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 3b78 n ARG 412 Cb 0.18 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 3b78 n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 413 N 0.38 2.82 3.66 -0.13 0.00 0.52 -5.03 105.19 107.41 3b78 n GLY 413 Ca 0.03 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 3b78 n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b78 s THR 414 N -2.06 3.94 0.24 2.61 2.01 -1.26 -3.04 115.64 118.07 3b78 s THR 414 Ca 0.00 1.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.88 3b78 s THR 414 Cb 0.00 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 3b78 s THR 414 CO 0.00 -0.09 0.92 -1.10 -0.69 0.00 0.00 174.62 173.66 3b78 s GLN 415 N 3.54 4.80 -1.36 4.92 -1.52 -0.24 -3.95 119.66 125.85 3b78 s GLN 415 Ca 0.63 1.43 -0.06 0.00 -1.95 0.00 0.00 55.36 55.41 3b78 s GLN 415 Cb -0.27 -3.23 0.02 0.00 -0.22 0.00 0.00 33.01 29.31 3b78 s GLN 415 CO 0.22 0.50 0.99 0.09 -0.25 0.00 0.00 175.29 176.84 3b78 n ASN 416 N 1.41 -3.90 -3.36 5.90 3.02 -1.26 -3.38 115.26 113.69 3b78 n ASN 416 Ca -0.02 -0.68 -0.25 0.00 -0.03 0.00 0.00 54.58 53.60 3b78 n ASN 416 Cb 0.47 -4.56 -0.10 0.00 -0.61 0.00 0.00 39.78 34.99 3b78 n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3b78 s TRP 417 N -3.40 0.76 0.85 3.10 -0.11 -1.25 -4.68 118.94 114.22 3b78 s TRP 417 Ca 0.35 -2.00 -0.13 0.00 1.22 0.00 0.00 56.10 55.55 3b78 s TRP 417 Cb -0.16 -0.80 0.12 0.00 -1.50 0.00 0.00 33.47 31.12 3b78 s TRP 417 CO 0.77 -0.87 1.22 0.95 -4.62 0.00 0.00 176.95 174.40 3b78 s THR 418 N 0.39 2.02 0.19 5.86 -4.23 -1.26 -4.91 115.64 113.70 3b78 s THR 418 Ca 0.29 -0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.71 3b78 s THR 418 Cb -0.03 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.83 3b78 s THR 418 CO -0.14 0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.10 3b78 h VAL 419 N -1.22 1.28 -0.84 2.29 2.07 -1.99 -2.51 116.25 115.32 3b78 h VAL 419 Ca -0.45 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3b78 h VAL 419 Cb 1.30 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 3b78 h VAL 419 CO 0.56 0.48 0.54 -0.33 0.02 0.00 0.00 177.57 178.84 3b78 h GLU 420 N 0.69 1.12 -0.19 1.57 3.07 -2.00 -0.65 114.58 118.19 3b78 h GLU 420 Ca 0.08 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 3b78 h GLU 420 Cb 0.83 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3b78 h GLU 420 CO 0.07 0.75 -0.33 -0.09 -1.40 0.00 0.00 179.01 178.02 3b78 h ARG 421 N 1.14 0.39 -0.50 2.33 2.43 -1.90 -2.46 114.38 115.82 3b78 h ARG 421 Ca 0.31 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3b78 h ARG 421 Cb -0.11 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3b78 h ARG 421 CO -0.06 0.67 0.10 1.25 -1.51 0.00 0.00 179.97 180.42 3b78 h LEU 422 N 0.33 0.77 -1.21 3.80 5.85 -0.90 -1.03 115.31 122.93 3b78 h LEU 422 Ca 0.04 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3b78 h LEU 422 Cb 0.74 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3b78 h LEU 422 CO 0.06 0.82 0.29 -0.07 -0.34 0.00 0.00 178.44 179.20 3b78 h LEU 423 N 0.69 0.75 -0.14 2.25 3.38 -0.95 0.11 115.31 121.39 3b78 h LEU 423 Ca 0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3b78 h LEU 423 Cb 0.36 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3b78 h LEU 423 CO 0.01 0.64 -0.06 -0.61 0.09 0.00 0.00 178.44 178.50 3b78 h GLN 424 N 0.83 0.30 -0.62 1.13 4.15 -1.22 -2.08 115.11 117.59 3b78 h GLN 424 Ca 0.21 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 3b78 h GLN 424 Cb 0.08 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3b78 h GLN 424 CO -0.03 0.62 0.18 0.00 -1.93 0.00 0.00 178.83 177.67 3b78 h ALA 425 N 0.67 1.14 -0.04 3.38 0.00 -0.79 -1.54 119.26 122.09 3b78 h ALA 425 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3b78 h ALA 425 Cb 0.53 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3b78 h ALA 425 CO 0.02 0.59 -0.00 1.25 0.00 0.00 0.00 179.25 181.10 3b78 h HIS 426 N 0.92 0.08 -0.62 0.00 -0.00 -0.81 -2.47 115.15 112.26 3b78 h HIS 426 Ca 0.20 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.60 3b78 h HIS 426 Cb 0.29 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.63 3b78 h HIS 426 CO 0.02 0.39 0.36 -0.09 -0.00 0.00 0.00 177.93 178.61 3b78 h ARG 427 N -0.26 0.68 0.00 5.26 2.43 -1.21 -1.40 114.38 119.88 3b78 h ARG 427 Ca 0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3b78 h ARG 427 Cb 0.36 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3b78 h ARG 427 CO 0.00 0.45 -0.01 1.96 -1.51 0.00 0.00 179.97 180.86 3b78 h GLN 428 N 0.70 0.00 0.14 0.20 4.20 -1.26 -1.05 115.11 118.04 3b78 h GLN 428 Ca 0.26 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.70 3b78 h GLN 428 Cb 0.08 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.89 3b78 h GLN 428 CO -0.13 0.01 -1.14 -0.07 -0.67 0.00 0.00 178.83 176.83 3b78 h LEU 429 N 0.00 0.76 -0.69 1.46 3.38 -0.79 -3.16 115.31 116.27 3b78 h LEU 429 Ca -0.00 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 3b78 h LEU 429 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3b78 h LEU 429 CO 0.00 1.55 0.34 -0.33 0.09 0.00 0.00 178.44 180.09 3b78 h GLU 430 N 0.08 0.98 0.00 1.13 5.08 -0.95 -0.42 114.58 120.48 3b78 h GLU 430 Ca -0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3b78 h GLU 430 Cb 1.85 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3b78 h GLU 430 CO 0.22 0.76 0.00 0.39 -1.00 0.00 0.00 179.01 179.38 3b78 n GLU 431 N -4.46 0.12 -0.26 2.33 1.02 -0.43 -1.05 120.64 117.91 3b78 n GLU 431 Ca 0.05 0.55 0.06 0.00 -0.02 0.00 0.00 57.16 57.81 3b78 n GLU 431 Cb 0.12 -1.85 0.19 0.00 -0.02 0.00 0.00 31.44 29.88 3b78 n GLU 431 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b78 n ARG 432 N -2.10 2.91 -1.43 3.49 1.74 -0.83 -4.97 116.66 115.48 3b78 n ARG 432 Ca -0.00 -2.28 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 3b78 n ARG 432 Cb 0.08 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3b78 n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 433 N 0.27 0.41 3.93 -0.13 0.00 -0.21 -4.98 105.19 104.47 3b78 n GLY 433 Ca 0.15 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 3b78 n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b78 s TYR 434 N -2.00 3.44 -0.01 1.61 1.51 -0.23 -0.59 117.35 121.09 3b78 s TYR 434 Ca 0.00 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 3b78 s TYR 434 Cb 0.00 -1.63 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 3b78 s TYR 434 CO 0.00 0.50 -0.06 0.54 -1.11 0.00 0.00 175.55 175.42 3b78 s VAL 435 N -1.79 0.50 0.07 0.71 0.11 0.65 -4.00 120.40 116.66 3b78 s VAL 435 Ca 0.34 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 3b78 s VAL 435 Cb -0.11 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.26 3b78 s VAL 435 CO 0.28 0.14 1.18 0.12 -3.33 0.00 0.00 175.10 173.49 3b78 s PHE 436 N -0.15 3.46 0.00 1.54 5.36 -1.26 -1.13 117.98 125.81 3b78 s PHE 436 Ca 0.02 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 3b78 s PHE 436 Cb -0.03 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.26 3b78 s PHE 436 CO -0.00 -1.16 0.23 1.33 -1.46 0.00 0.00 175.22 174.16 3b78 n VAL 437 N 3.75 0.00 -1.18 3.12 0.24 -0.39 -4.44 118.33 119.43 3b78 n VAL 437 Ca 0.08 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3b78 n VAL 437 Cb 0.46 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 3b78 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b78 n GLY 438 N 0.33 -0.33 3.64 7.63 0.00 -1.23 -4.47 105.19 110.76 3b78 n GLY 438 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 3b78 n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b78 s TYR 439 N -2.10 2.86 -0.15 1.61 2.02 0.66 -0.40 117.35 121.84 3b78 s TYR 439 Ca 0.00 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3b78 s TYR 439 Cb 0.00 -1.45 0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3b78 s TYR 439 CO 0.00 0.48 -0.02 -1.58 -1.57 0.00 0.00 175.55 172.86 3b78 s HIS 440 N -1.42 1.25 -0.12 2.71 5.65 0.18 -0.76 115.29 122.77 3b78 s HIS 440 Ca 0.25 -0.77 -0.17 0.00 0.25 0.00 0.00 55.06 54.62 3b78 s HIS 440 Cb -0.11 -1.10 -0.04 0.00 -1.18 0.00 0.00 32.58 30.15 3b78 s HIS 440 CO 0.17 -0.54 0.42 0.20 -0.65 0.00 0.00 174.74 174.34 3b78 s GLY 441 N 1.78 2.35 0.37 1.59 0.00 -1.23 -0.94 107.32 111.24 3b78 s GLY 441 Ca 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.38 3b78 s GLY 441 CO -0.07 0.61 0.64 -0.37 0.00 0.00 0.00 173.10 173.91 3b78 n THR 442 N 3.43 0.00 -2.19 0.90 5.66 -1.07 -4.10 114.28 116.91 3b78 n THR 442 Ca -0.09 -1.28 -0.28 0.00 -3.05 0.00 0.00 64.05 59.35 3b78 n THR 442 Cb 0.52 1.00 0.04 0.00 -1.55 0.00 0.00 70.33 70.34 3b78 n THR 442 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3b78 s PHE 443 N -2.66 3.30 0.12 1.09 -0.71 -1.26 -1.30 117.98 116.57 3b78 s PHE 443 Ca 0.21 0.82 -0.30 0.00 -1.04 0.00 0.00 56.93 56.62 3b78 s PHE 443 Cb -0.03 -2.86 -0.08 0.00 -1.21 0.00 0.00 43.02 38.84 3b78 s PHE 443 CO 0.15 -0.95 1.58 -0.07 -1.34 0.00 0.00 175.22 174.59 3b78 h LEU 444 N -0.36 -1.36 -1.59 -1.99 3.38 -1.89 -1.45 115.31 110.05 3b78 h LEU 444 Ca -0.45 0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3b78 h LEU 444 Cb 1.25 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 42.52 3b78 h LEU 444 CO 0.62 -0.46 0.30 -0.33 0.09 0.00 0.00 178.44 178.67 3b78 h GLU 445 N -0.56 0.52 -0.39 1.13 3.07 -1.94 -1.38 114.58 115.03 3b78 h GLU 445 Ca 0.05 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 3b78 h GLU 445 Cb 0.66 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3b78 h GLU 445 CO -0.36 0.35 0.02 0.00 -1.40 0.00 0.00 179.01 177.62 3b78 h ALA 446 N 1.73 0.52 -0.42 3.43 0.00 -1.73 -0.94 119.26 121.85 3b78 h ALA 446 Ca 0.18 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3b78 h ALA 446 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3b78 h ALA 446 CO -0.04 0.27 0.20 0.00 0.00 0.00 0.00 179.25 179.68 3b78 h ALA 447 N 0.89 0.52 -0.49 0.00 0.00 -0.33 0.17 119.26 120.02 3b78 h ALA 447 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3b78 h ALA 447 Cb 0.43 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3b78 h ALA 447 CO 0.02 -0.17 0.17 0.37 0.00 0.00 0.00 179.25 179.64 3b78 h GLN 448 N 0.40 0.33 -0.37 0.00 5.75 -1.10 -0.52 115.11 119.60 3b78 h GLN 448 Ca 0.18 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 3b78 h GLN 448 Cb 0.11 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3b78 h GLN 448 CO -0.14 0.22 0.13 1.03 -2.65 0.00 0.00 178.83 177.42 3b78 h SER 449 N 0.34 0.54 -0.24 -0.69 0.87 -0.43 -2.46 113.55 111.47 3b78 h SER 449 Ca 0.23 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 3b78 h SER 449 Cb 0.25 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3b78 h SER 449 CO -0.24 0.59 -0.17 0.40 -0.53 0.00 0.00 176.83 176.88 3b78 h ILE 450 N 0.46 1.31 0.00 2.23 2.04 -0.39 0.96 117.51 124.11 3b78 h ILE 450 Ca 0.12 -1.29 -0.17 0.00 1.00 0.00 0.00 64.86 64.52 3b78 h ILE 450 Cb 0.24 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3b78 h ILE 450 CO -0.01 0.40 -0.81 0.58 0.00 0.00 0.00 178.15 178.32 3b78 h VAL 451 N 0.25 1.57 0.00 1.67 2.07 -1.13 -1.23 116.25 119.45 3b78 h VAL 451 Ca 0.05 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.82 3b78 h VAL 451 Cb 0.70 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3b78 h VAL 451 CO 0.05 0.78 -1.11 0.49 0.02 0.00 0.00 177.57 177.80 3b78 n PHE 452 N -3.59 0.00 -0.02 1.57 3.01 -0.93 -4.58 117.46 112.93 3b78 n PHE 452 Ca -0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 3b78 n PHE 452 Cb 0.77 -0.16 -0.06 0.00 -0.01 0.00 0.00 39.48 40.03 3b78 n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b78 n GLY 453 N 1.56 -0.37 0.00 1.37 0.00 0.31 -5.06 105.19 103.00 3b78 n GLY 453 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3b78 n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 454 N 2.22 1.13 3.68 -0.02 0.00 -0.47 -4.93 105.19 106.80 3b78 n GLY 454 Ca -0.05 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3b78 n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b78 s VAL 455 N -2.81 3.33 -0.03 1.61 1.01 -1.25 -4.52 120.40 117.74 3b78 s VAL 455 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.67 3b78 s VAL 455 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3b78 s VAL 455 CO 0.00 -0.02 -0.16 -0.13 0.00 0.00 0.00 175.10 174.79 3b78 s ARG 456 N 3.12 1.57 0.44 2.72 0.52 -1.26 -4.27 118.95 121.80 3b78 s ARG 456 Ca 0.73 -0.58 -0.26 0.00 -0.52 0.00 0.00 55.73 55.10 3b78 s ARG 456 Cb -0.36 -1.42 -0.08 0.00 0.52 0.00 0.00 34.95 33.60 3b78 s ARG 456 CO 0.31 0.27 1.41 0.00 0.02 0.00 0.00 175.30 177.30 3b78 s ALA 457 N -0.09 3.26 0.34 2.13 0.00 -1.26 -5.02 121.76 121.12 3b78 s ALA 457 Ca -0.00 1.43 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 3b78 s ALA 457 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3b78 s ALA 457 CO 0.01 -1.12 0.47 -0.98 0.00 0.00 0.00 175.76 174.14 3b78 s ARG 458 N -2.40 1.88 0.48 0.00 1.70 -1.26 -5.16 118.95 114.20 3b78 s ARG 458 Ca 0.60 -1.73 -0.19 0.00 -0.47 0.00 0.00 55.73 53.94 3b78 s ARG 458 Cb -0.43 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.30 3b78 s ARG 458 CO 0.55 -0.78 0.98 -1.12 -1.08 0.00 0.00 175.30 173.86 3b78 s SER 459 N -3.23 6.66 -0.25 -2.89 0.01 -1.26 -4.98 113.70 107.76 3b78 s SER 459 Ca 0.30 1.68 -0.18 0.00 1.31 0.00 0.00 55.95 59.06 3b78 s SER 459 Cb -0.00 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.77 3b78 s SER 459 CO 0.20 -0.56 0.64 0.00 0.41 0.00 0.00 173.24 173.93 3b78 s GLN 460 N -3.59 0.70 -0.88 12.44 -2.07 -1.26 -5.10 119.66 119.90 3b78 s GLN 460 Ca 0.62 1.02 -0.25 0.00 -1.82 0.00 0.00 55.36 54.94 3b78 s GLN 460 Cb -0.11 0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 32.03 3b78 s GLN 460 CO 0.22 -0.12 1.77 0.16 -1.32 0.00 0.00 175.29 176.01 3b78 s ASP 461 N 0.99 5.55 0.10 12.60 -4.77 -1.26 -4.84 116.67 125.05 3b78 s ASP 461 Ca -0.05 -0.72 -0.26 0.00 -3.30 0.00 0.00 52.55 48.22 3b78 s ASP 461 Cb -0.05 -2.56 0.09 0.00 -1.09 0.00 0.00 42.92 39.31 3b78 s ASP 461 CO -0.09 -2.34 1.10 -1.48 0.70 0.00 0.00 175.17 173.06 3b78 s LEU 462 N 8.43 -0.09 0.06 2.11 0.05 -1.26 -5.11 118.68 122.87 3b78 s LEU 462 Ca 0.62 -0.37 -0.30 0.00 0.05 0.00 0.00 54.13 54.12 3b78 s LEU 462 Cb -0.06 1.86 -0.09 0.00 -2.05 0.00 0.00 46.19 45.85 3b78 s LEU 462 CO 0.01 -0.70 1.91 -0.62 -0.55 0.00 0.00 176.35 176.39 3b78 s ASP 463 N -3.11 6.45 0.57 1.48 -1.08 -1.26 -4.82 116.67 114.90 3b78 s ASP 463 Ca 0.16 2.69 0.37 0.00 -0.52 0.00 0.00 52.55 55.24 3b78 s ASP 463 Cb 0.00 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.39 3b78 s ASP 463 CO 0.01 -1.03 1.69 0.00 0.52 0.00 0.00 175.17 176.36 3b78 h ALA 464 N 9.84 3.09 0.00 3.66 0.00 -2.00 0.20 119.26 134.05 3b78 h ALA 464 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3b78 h ALA 464 Cb 1.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3b78 h ALA 464 CO 0.94 -1.58 0.00 0.44 0.00 0.00 0.00 179.25 179.05 3b78 n ILE 465 N -3.89 0.80 -0.37 0.00 -5.35 -1.26 -2.64 119.36 106.63 3b78 n ILE 465 Ca 0.26 0.16 0.07 0.00 -0.27 0.00 0.00 62.75 62.97 3b78 n ILE 465 Cb 1.35 -1.00 0.20 0.00 -1.74 0.00 0.00 39.64 38.44 3b78 n ILE 465 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3b78 n TRP 466 N -1.97 0.65 -2.22 4.28 7.02 0.70 -3.97 117.44 121.94 3b78 n TRP 466 Ca 0.03 -0.58 -0.37 0.00 -1.02 0.00 0.00 57.50 55.57 3b78 n TRP 466 Cb 0.24 -0.09 -0.00 0.00 -2.42 0.00 0.00 31.31 29.03 3b78 n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3b78 s ARG 467 N -1.40 3.61 0.00 -0.99 1.70 -1.08 -4.95 118.95 115.83 3b78 s ARG 467 Ca 0.30 1.77 0.00 0.00 -0.47 0.00 0.00 55.73 57.33 3b78 s ARG 467 Cb 0.18 -2.29 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 3b78 s ARG 467 CO 0.16 -0.68 0.00 0.41 -1.08 0.00 0.00 175.30 174.11 3b78 n GLY 468 N 0.40 -1.42 3.70 3.88 0.00 -1.26 -4.56 105.19 105.92 3b78 n GLY 468 Ca 0.09 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 3b78 n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3b78 s PHE 469 N -2.40 3.44 -0.21 1.61 5.36 0.21 -4.88 117.98 121.11 3b78 s PHE 469 Ca 0.00 0.72 -0.09 0.00 -0.96 0.00 0.00 56.93 56.60 3b78 s PHE 469 Cb 0.00 -2.51 -0.04 0.00 -0.34 0.00 0.00 43.02 40.12 3b78 s PHE 469 CO 0.00 0.10 0.11 0.71 -1.46 0.00 0.00 175.22 174.68 3b78 s TYR 470 N 0.92 3.28 0.31 10.12 1.51 -1.26 -0.41 117.35 131.83 3b78 s TYR 470 Ca 0.21 0.13 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 3b78 s TYR 470 Cb -0.15 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 3b78 s TYR 470 CO 0.08 0.09 0.15 0.96 -1.11 0.00 0.00 175.55 175.72 3b78 s ILE 471 N 0.76 0.37 -0.08 2.71 -4.36 -0.18 -4.79 121.20 115.63 3b78 s ILE 471 Ca 0.06 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.41 3b78 s ILE 471 Cb -0.13 -2.51 0.04 0.00 1.25 0.00 0.00 42.46 41.11 3b78 s ILE 471 CO 0.02 0.00 0.19 0.00 0.24 0.00 0.00 174.94 175.39 3b78 s ALA 472 N -3.57 -0.42 0.40 2.27 0.00 0.06 -0.41 121.76 120.09 3b78 s ALA 472 Ca 0.35 0.80 0.09 0.00 0.00 0.00 0.00 51.96 53.20 3b78 s ALA 472 Cb 0.05 -0.52 0.86 0.00 0.00 0.00 0.00 23.12 23.52 3b78 s ALA 472 CO 0.17 -0.17 2.00 0.78 0.00 0.00 0.00 175.76 178.54 3b78 h GLY 473 N 7.05 0.72 -7.25 0.00 0.00 -1.78 0.19 103.07 102.00 3b78 h GLY 473 Ca -0.40 -0.24 -0.63 0.00 0.00 0.00 0.00 47.33 46.07 3b78 h GLY 473 CO 0.40 0.19 -0.24 -0.35 0.00 0.00 0.00 176.54 176.53 3b78 s ASP 474 N -6.37 6.25 0.58 0.19 -1.08 -1.26 -4.67 116.67 110.31 3b78 s ASP 474 Ca -0.09 0.29 0.28 0.00 -0.52 0.00 0.00 52.55 52.51 3b78 s ASP 474 Cb 0.19 -2.21 1.72 0.00 -1.46 0.00 0.00 42.92 41.16 3b78 s ASP 474 CO 0.75 -0.17 2.21 1.55 0.52 0.00 0.00 175.17 180.03 3b78 h PRO 475 N 8.12 0.00 -0.97 4.34 0.13 -1.96 -2.11 132.00 139.55 3b78 h PRO 475 Ca -0.32 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.89 3b78 h PRO 475 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 3b78 h PRO 475 CO 0.64 0.00 0.62 0.00 -0.23 0.00 0.00 178.00 179.03 3b78 h ALA 476 N 1.95 1.38 0.03 -0.56 0.00 -1.94 0.17 119.26 120.29 3b78 h ALA 476 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b78 h ALA 476 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3b78 h ALA 476 CO -0.00 0.35 -0.01 1.25 0.00 0.00 0.00 179.25 180.83 3b78 h LEU 477 N 1.08 -0.03 -1.50 0.00 5.85 -1.76 -3.19 115.31 115.75 3b78 h LEU 477 Ca 0.44 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3b78 h LEU 477 Cb 0.26 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3b78 h LEU 477 CO -0.20 0.46 -0.17 0.00 -0.34 0.00 0.00 178.44 178.18 3b78 h ALA 478 N 0.41 1.59 -0.82 1.25 0.00 -1.55 -2.85 119.26 117.30 3b78 h ALA 478 Ca -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.85 3b78 h ALA 478 Cb 0.49 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3b78 h ALA 478 CO 0.01 0.30 0.39 -0.92 0.00 0.00 0.00 179.25 179.03 3b78 h TYR 479 N 0.10 0.68 0.00 0.00 5.03 -0.65 -0.62 116.97 121.51 3b78 h TYR 479 Ca 0.02 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.36 3b78 h TYR 479 Cb 0.37 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.47 3b78 h TYR 479 CO 0.00 0.14 0.00 0.78 -1.32 0.00 0.00 178.16 177.76 3b78 h GLY 480 N 0.56 0.00 -1.08 1.82 0.00 -1.58 -1.08 103.07 101.72 3b78 h GLY 480 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3b78 h GLY 480 CO -0.38 0.00 -0.32 -1.72 0.00 0.00 0.00 176.54 174.12 3b78 n TYR 481 N -2.64 0.00 -1.92 5.60 4.01 -0.26 -4.73 117.16 117.22 3b78 n TYR 481 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 3b78 n TYR 481 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3b78 n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b78 n ALA 482 N 0.22 5.41 -3.65 -0.72 0.00 -0.41 -3.10 120.51 118.27 3b78 n ALA 482 Ca 0.09 -3.98 -0.02 0.00 0.00 0.00 0.00 53.44 49.52 3b78 n ALA 482 Cb 0.44 -3.41 -0.01 0.00 0.00 0.00 0.00 19.45 16.47 3b78 n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3b78 s GLN 483 N 2.56 0.72 0.50 0.00 -2.07 -1.21 0.17 119.66 120.33 3b78 s GLN 483 Ca 0.45 -0.37 -0.22 0.00 -1.82 0.00 0.00 55.36 53.40 3b78 s GLN 483 Cb 0.12 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 32.25 3b78 s GLN 483 CO -0.06 -0.33 1.23 -0.51 -1.32 0.00 0.00 175.29 174.30 3b78 s ASP 484 N -2.79 5.78 0.00 12.60 1.01 -0.30 -3.98 116.67 128.98 3b78 s ASP 484 Ca 0.12 2.46 0.18 0.00 0.71 0.00 0.00 52.55 56.02 3b78 s ASP 484 Cb 0.01 -2.61 -0.16 0.00 1.01 0.00 0.00 42.92 41.17 3b78 s ASP 484 CO -0.02 -1.20 0.77 0.00 0.21 0.00 0.00 175.17 174.93 3b78 n GLN 485 N -0.78 1.26 -4.38 8.23 1.13 -1.26 -4.84 117.38 116.75 3b78 n GLN 485 Ca 0.09 -0.13 -0.20 0.00 -1.94 0.00 0.00 57.00 54.82 3b78 n GLN 485 Cb 0.47 -1.33 -0.15 0.00 0.11 0.00 0.00 30.24 29.34 3b78 n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3b78 s GLU 486 N -2.57 0.86 0.89 -1.09 0.41 -1.26 -5.15 118.70 110.79 3b78 s GLU 486 Ca 0.08 -0.31 -0.10 0.00 -0.41 0.00 0.00 54.97 54.23 3b78 s GLU 486 Cb 0.13 -0.81 0.13 0.00 -1.78 0.00 0.00 34.13 31.80 3b78 s GLU 486 CO 0.68 0.14 1.14 -1.25 -0.49 0.00 0.00 175.26 175.49 3b78 s PRO 487 N 0.04 1.21 0.00 0.39 0.04 -1.26 -4.84 135.00 130.58 3b78 s PRO 487 Ca -0.00 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.55 3b78 s PRO 487 Cb -0.07 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3b78 s PRO 487 CO 0.00 -2.48 0.00 -0.25 0.04 0.00 0.00 177.00 174.31 3b78 n ASP 488 N -4.09 -0.65 0.20 6.66 8.00 0.57 -4.79 116.55 122.45 3b78 n ASP 488 Ca 0.12 -0.15 0.12 0.00 0.71 0.00 0.00 54.79 55.58 3b78 n ASP 488 Cb 0.52 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.82 3b78 n ASP 488 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3b78 h ALA 489 N -2.00 0.98 -0.18 2.24 0.00 -1.96 -3.09 119.26 115.25 3b78 h ALA 489 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3b78 h ALA 489 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3b78 h ALA 489 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3b78 n ARG 490 N -2.96 1.89 -2.17 0.00 1.74 -1.26 -4.93 116.66 108.96 3b78 n ARG 490 Ca 0.04 -1.33 -0.12 0.00 -0.77 0.00 0.00 57.85 55.67 3b78 n ARG 490 Cb 0.52 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 3b78 n ARG 490 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 491 N 1.21 -0.04 3.70 -0.13 0.00 -1.17 -5.03 105.19 103.74 3b78 n GLY 491 Ca 0.17 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3b78 n GLY 491 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b78 s ARG 492 N -4.50 2.52 -0.25 1.61 0.52 -1.26 -4.68 118.95 112.90 3b78 s ARG 492 Ca 0.00 -1.15 -0.05 0.00 -0.52 0.00 0.00 55.73 54.01 3b78 s ARG 492 Cb 0.00 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 33.09 3b78 s ARG 492 CO 0.00 0.43 0.01 0.42 0.02 0.00 0.00 175.30 176.18 3b78 s ILE 493 N -1.95 3.62 0.33 1.52 -1.09 -1.26 -0.32 121.20 122.05 3b78 s ILE 493 Ca 0.30 -0.58 -0.26 0.00 -2.23 0.00 0.00 60.65 57.87 3b78 s ILE 493 Cb -0.08 -2.75 -0.10 0.00 -1.58 0.00 0.00 42.46 37.95 3b78 s ILE 493 CO 0.20 0.28 0.99 -0.13 -1.23 0.00 0.00 174.94 175.05 3b78 s ARG 494 N 1.48 4.52 0.62 2.79 0.52 -1.26 -4.89 118.95 122.74 3b78 s ARG 494 Ca 0.04 1.44 -0.16 0.00 -0.52 0.00 0.00 55.73 56.53 3b78 s ARG 494 Cb -0.16 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 3b78 s ARG 494 CO -0.01 0.20 1.12 0.54 0.02 0.00 0.00 175.30 177.17 3b78 s ASN 495 N -1.47 5.30 0.00 0.23 4.22 -1.26 -1.15 114.94 120.80 3b78 s ASN 495 Ca 0.50 2.05 0.00 0.00 -2.14 0.00 0.00 52.86 53.27 3b78 s ASN 495 Cb -0.22 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.75 3b78 s ASN 495 CO 0.28 -1.50 0.00 0.61 -2.04 0.00 0.00 177.10 174.44 3b78 n GLY 496 N -0.32 3.08 3.14 0.45 0.00 0.13 -4.58 105.19 107.09 3b78 n GLY 496 Ca 0.11 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 3b78 n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b78 s ALA 497 N -2.64 -0.59 -0.02 4.61 0.00 -0.42 -4.59 121.76 118.11 3b78 s ALA 497 Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 3b78 s ALA 497 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3b78 s ALA 497 CO 0.00 -0.15 0.66 -0.51 0.00 0.00 0.00 175.76 175.75 3b78 s LEU 498 N -0.34 4.38 0.01 0.00 1.43 -1.26 -2.59 118.68 120.31 3b78 s LEU 498 Ca -0.05 1.21 0.06 0.00 -1.03 0.00 0.00 54.13 54.32 3b78 s LEU 498 Cb -0.03 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3b78 s LEU 498 CO 0.01 0.01 -0.16 -0.76 0.23 0.00 0.00 176.35 175.68 3b78 s LEU 499 N 0.20 2.70 -0.14 1.79 1.02 -0.12 -1.52 118.68 122.62 3b78 s LEU 499 Ca 0.34 -0.32 -0.14 0.00 0.02 0.00 0.00 54.13 54.03 3b78 s LEU 499 Cb -0.18 -1.57 -0.05 0.00 0.02 0.00 0.00 46.19 44.41 3b78 s LEU 499 CO 0.18 0.29 0.32 -0.13 0.02 0.00 0.00 176.35 177.03 3b78 s ARG 500 N -1.20 4.20 -0.17 1.70 0.52 0.13 -0.65 118.95 123.48 3b78 s ARG 500 Ca 0.14 0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.46 3b78 s ARG 500 Cb -0.11 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 3b78 s ARG 500 CO 0.04 0.29 -0.03 0.08 0.02 0.00 0.00 175.30 175.70 3b78 s VAL 501 N 0.29 3.83 0.00 3.52 1.01 0.46 -1.60 120.40 127.91 3b78 s VAL 501 Ca 0.18 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3b78 s VAL 501 Cb -0.13 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3b78 s VAL 501 CO 0.05 0.47 -0.24 -0.31 0.00 0.00 0.00 175.10 175.07 3b78 s TYR 502 N 0.65 2.14 0.19 5.22 1.51 0.27 -1.26 117.35 126.06 3b78 s TYR 502 Ca -0.02 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.72 3b78 s TYR 502 Cb -0.14 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3b78 s TYR 502 CO 0.02 0.01 -0.17 0.14 -1.11 0.00 0.00 175.55 174.44 3b78 s VAL 503 N -0.64 1.85 0.30 0.71 -7.23 -0.28 -0.21 120.40 114.91 3b78 s VAL 503 Ca 0.10 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 3b78 s VAL 503 Cb -0.09 -1.94 -0.11 0.00 0.56 0.00 0.00 36.38 34.79 3b78 s VAL 503 CO -0.00 -0.41 1.55 -2.84 -0.31 0.00 0.00 175.10 173.10 3b78 s PRO 504 N -3.11 4.14 0.59 4.82 0.02 -1.26 -0.25 135.00 139.95 3b78 s PRO 504 Ca 0.19 2.53 0.29 0.00 0.02 0.00 0.00 61.00 64.03 3b78 s PRO 504 Cb -0.04 -3.03 1.67 0.00 0.02 0.00 0.00 34.50 33.12 3b78 s PRO 504 CO 0.07 -0.58 2.10 0.00 -0.33 0.00 0.00 177.00 178.26 3b78 h ARG 505 N 4.59 0.00 0.00 5.54 3.08 -1.16 -0.22 114.38 126.20 3b78 h ARG 505 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3b78 h ARG 505 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3b78 h ARG 505 CO 0.77 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.33 3b78 h SER 506 N 0.00 0.00 0.45 7.04 4.64 -1.90 -1.65 113.55 122.13 3b78 h SER 506 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3b78 h SER 506 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3b78 h SER 506 CO -0.00 0.00 -0.86 -1.54 -0.87 0.00 0.00 176.83 173.55 3b78 n SER 507 N -2.30 0.64 -0.35 4.97 3.41 -0.09 -4.39 113.62 115.50 3b78 n SER 507 Ca -0.01 -0.26 0.11 0.00 -0.26 0.00 0.00 58.87 58.45 3b78 n SER 507 Cb 0.08 0.63 0.30 0.00 -0.26 0.00 0.00 64.21 64.96 3b78 n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3b78 h LEU 508 N 0.00 0.82 -1.92 1.04 3.38 -1.43 -0.21 115.31 116.99 3b78 h LEU 508 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3b78 h LEU 508 Cb 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3b78 h LEU 508 CO 0.00 0.35 0.17 -0.65 0.09 0.00 0.00 178.44 178.40 3b78 h PRO 509 N 0.83 0.00 -0.41 1.13 0.11 -1.79 0.49 132.00 132.36 3b78 h PRO 509 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3b78 h PRO 509 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3b78 h PRO 509 CO -0.33 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.87 3b78 n GLY 510 N -1.21 1.35 3.71 -0.55 0.00 -0.09 -4.91 105.19 103.49 3b78 n GLY 510 Ca -0.02 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3b78 n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b78 s PHE 511 N -1.46 3.46 0.19 1.61 0.40 0.16 -0.74 117.98 121.60 3b78 s PHE 511 Ca 0.37 0.71 0.04 0.00 -0.60 0.00 0.00 56.93 57.45 3b78 s PHE 511 Cb 0.20 -2.47 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 3b78 s PHE 511 CO 0.28 0.15 -0.03 0.71 0.70 0.00 0.00 175.22 177.02 3b78 s TYR 512 N 0.75 1.41 0.04 0.36 1.51 -0.64 -2.62 117.35 118.16 3b78 s TYR 512 Ca 0.21 -0.88 -0.00 0.00 -1.01 0.00 0.00 57.07 55.38 3b78 s TYR 512 Cb -0.14 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 3b78 s TYR 512 CO 0.07 -0.03 -0.04 -0.98 -1.11 0.00 0.00 175.55 173.47 3b78 s ARG 513 N -3.83 0.48 0.11 -0.62 1.70 -0.43 -0.65 118.95 115.71 3b78 s ARG 513 Ca 0.24 -0.91 -0.14 0.00 -0.47 0.00 0.00 55.73 54.45 3b78 s ARG 513 Cb 0.05 0.10 0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3b78 s ARG 513 CO 0.05 -0.06 0.35 -0.08 -1.08 0.00 0.00 175.30 174.48 3b78 s THR 514 N -2.56 0.09 -0.68 4.99 -1.32 -0.06 -4.56 115.64 111.55 3b78 s THR 514 Ca -0.05 -0.72 0.24 0.00 -1.21 0.00 0.00 61.69 59.95 3b78 s THR 514 Cb -0.02 -1.20 0.04 0.00 -1.51 0.00 0.00 72.50 69.80 3b78 s THR 514 CO -0.05 -0.40 1.32 -1.20 -2.21 0.00 0.00 174.62 172.08 3b78 n SER 515 N -0.17 0.66 -4.79 8.08 7.64 -1.26 -4.30 113.62 119.48 3b78 n SER 515 Ca -0.16 0.07 -0.35 0.00 1.01 0.00 0.00 58.87 59.45 3b78 n SER 515 Cb 0.63 0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 64.01 3b78 n SER 515 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3b78 s LEU 516 N -4.07 3.86 -0.00 -3.43 1.43 -1.26 -4.65 118.68 110.56 3b78 s LEU 516 Ca 0.07 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 3b78 s LEU 516 Cb 0.14 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.80 3b78 s LEU 516 CO 0.72 -0.88 1.28 -0.89 0.23 0.00 0.00 176.35 176.81 3b78 s THR 517 N -1.86 3.97 1.00 5.49 2.01 -1.26 -3.87 115.64 121.12 3b78 s THR 517 Ca 0.68 1.35 -0.14 0.00 0.31 0.00 0.00 61.69 63.89 3b78 s THR 517 Cb -0.20 -3.87 0.19 0.00 0.01 0.00 0.00 72.50 68.63 3b78 s THR 517 CO 0.23 0.02 1.15 -0.76 -0.69 0.00 0.00 174.62 174.58 3b78 s LEU 518 N 1.99 1.74 -1.59 4.42 1.43 -0.91 -4.12 118.68 121.65 3b78 s LEU 518 Ca 0.60 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 3b78 s LEU 518 Cb -0.29 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.00 3b78 s LEU 518 CO 0.25 -3.03 0.00 0.00 0.23 0.00 0.00 176.35 173.80 3b78 n ALA 519 N -4.06 -0.66 -2.65 4.21 0.00 -1.26 -4.93 120.51 111.16 3b78 n ALA 519 Ca 0.09 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 3b78 n ALA 519 Cb 0.59 -2.00 -0.13 0.00 0.00 0.00 0.00 19.45 17.91 3b78 n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b78 s ALA 520 N -2.91 1.14 0.50 0.00 0.00 -1.26 -5.01 121.76 114.21 3b78 s ALA 520 Ca 0.00 -0.81 0.20 0.00 0.00 0.00 0.00 51.96 51.35 3b78 s ALA 520 Cb 0.00 -0.18 1.25 0.00 0.00 0.00 0.00 23.12 24.19 3b78 s ALA 520 CO 0.00 0.21 2.02 -1.35 0.00 0.00 0.00 175.76 176.64 3b78 h PRO 521 N 4.95 0.14 0.00 0.00 0.11 -1.93 -0.74 132.00 134.52 3b78 h PRO 521 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3b78 h PRO 521 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3b78 h PRO 521 CO 0.44 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 3b78 n GLU 522 N -4.44 0.39 -0.00 1.05 4.71 -1.26 -2.90 120.64 118.19 3b78 n GLU 522 Ca 0.08 0.06 0.03 0.00 -0.01 0.00 0.00 57.16 57.31 3b78 n GLU 522 Cb 0.44 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.34 3b78 n GLU 522 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3b78 n ALA 523 N -1.23 2.39 -0.20 0.62 0.00 -0.30 -4.69 120.51 117.09 3b78 n ALA 523 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3b78 n ALA 523 Cb 0.16 -0.18 0.11 0.00 0.00 0.00 0.00 19.45 19.54 3b78 n ALA 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b78 h ALA 524 N 0.58 0.79 -0.34 0.00 0.00 -1.37 -1.98 119.26 116.92 3b78 h ALA 524 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3b78 h ALA 524 Cb 0.19 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3b78 h ALA 524 CO 0.00 -0.19 0.14 0.78 0.00 0.00 0.00 179.25 179.98 3b78 h GLY 525 N 0.41 0.55 1.08 0.00 0.00 -1.84 -1.86 103.07 101.42 3b78 h GLY 525 Ca 0.31 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3b78 h GLY 525 CO -0.30 0.28 0.10 -2.09 0.00 0.00 0.00 176.54 174.53 3b78 h GLU 526 N 0.41 1.12 -0.45 4.80 4.57 -1.78 -2.04 114.58 121.20 3b78 h GLU 526 Ca 0.11 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 3b78 h GLU 526 Cb 0.18 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3b78 h GLU 526 CO -0.01 1.02 0.12 0.28 -1.18 0.00 0.00 179.01 179.24 3b78 h VAL 527 N 1.04 1.23 0.00 0.32 2.07 -1.27 -2.24 116.25 117.40 3b78 h VAL 527 Ca 0.20 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3b78 h VAL 527 Cb 0.45 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3b78 h VAL 527 CO 0.01 0.28 -0.12 -0.33 0.02 0.00 0.00 177.57 177.44 3b78 h GLU 528 N 0.60 0.00 -0.23 1.57 5.08 -1.12 -1.37 114.58 119.10 3b78 h GLU 528 Ca 0.14 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 3b78 h GLU 528 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3b78 h GLU 528 CO -0.00 0.12 -0.34 -0.09 -1.00 0.00 0.00 179.01 177.69 3b78 h ARG 529 N 0.00 0.65 0.00 2.33 2.43 -1.00 -1.85 114.38 116.94 3b78 h ARG 529 Ca -0.00 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3b78 h ARG 529 Cb 0.22 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3b78 h ARG 529 CO 0.02 1.00 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.40 3b78 h LEU 530 N 0.35 -0.00 -0.23 3.80 3.38 -0.81 -3.11 115.31 118.69 3b78 h LEU 530 Ca 0.02 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3b78 h LEU 530 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3b78 h LEU 530 CO 0.08 0.28 0.00 2.30 0.09 0.00 0.00 178.44 181.19 3b78 n ILE 531 N -4.95 0.65 -0.99 1.22 -5.35 -0.58 -4.17 119.36 105.19 3b78 n ILE 531 Ca -0.08 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3b78 n ILE 531 Cb 0.16 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.28 3b78 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3b78 n GLY 532 N 0.85 0.39 3.50 3.28 0.00 -0.74 -4.99 105.19 107.48 3b78 n GLY 532 Ca 0.04 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3b78 n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3b78 s HIS 533 N -2.00 -0.36 0.62 1.61 0.00 -0.92 -5.03 115.29 109.21 3b78 s HIS 533 Ca 0.00 0.21 -0.19 0.00 -3.00 0.00 0.00 55.06 52.09 3b78 s HIS 533 Cb 0.00 0.54 -0.02 0.00 -4.00 0.00 0.00 32.58 29.10 3b78 s HIS 533 CO 0.00 -0.57 1.29 -2.14 -1.00 0.00 0.00 174.74 172.31 3b78 s PRO 534 N -3.17 2.74 0.91 -0.38 0.02 -1.26 -4.48 135.00 129.38 3b78 s PRO 534 Ca 0.05 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 63.00 3b78 s PRO 534 Cb -0.01 -1.93 0.14 0.00 0.02 0.00 0.00 34.50 32.72 3b78 s PRO 534 CO -0.09 -1.44 1.12 -0.51 -0.33 0.00 0.00 177.00 175.74 3b78 s LEU 535 N -4.16 2.59 0.82 -5.54 1.43 -1.26 -4.74 118.68 107.82 3b78 s LEU 535 Ca 0.80 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 3b78 s LEU 535 Cb -0.37 -4.36 0.09 0.00 0.03 0.00 0.00 46.19 41.58 3b78 s LEU 535 CO 0.40 -2.97 1.19 -2.16 0.23 0.00 0.00 176.35 173.03 3b78 s PRO 536 N -4.71 1.87 0.44 1.29 0.04 -1.25 -4.96 135.00 127.72 3b78 s PRO 536 Ca 0.65 0.07 -0.25 0.00 0.04 0.00 0.00 61.00 61.51 3b78 s PRO 536 Cb -0.21 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3b78 s PRO 536 CO 0.58 -1.65 1.42 -0.51 0.04 0.00 0.00 177.00 176.88 3b78 s LEU 537 N -5.60 4.13 0.00 -3.56 1.43 -1.26 -5.00 118.68 108.83 3b78 s LEU 537 Ca 0.63 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.63 3b78 s LEU 537 Cb -0.11 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.19 3b78 s LEU 537 CO 0.49 -1.13 0.00 0.54 0.23 0.00 0.00 176.35 176.48 3b78 n ARG 538 N -0.13 0.00 -1.36 1.70 5.12 -1.26 -4.12 116.66 116.61 3b78 n ARG 538 Ca 0.05 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.74 3b78 n ARG 538 Cb 0.42 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.63 3b78 n ARG 538 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3b78 n LEU 539 N 0.00 6.15 -3.79 0.55 4.77 -1.26 -3.04 117.00 120.37 3b78 n LEU 539 Ca 0.00 -3.83 -0.09 0.00 -0.03 0.00 0.00 56.01 52.06 3b78 n LEU 539 Cb 0.00 -1.29 -0.03 0.00 -2.33 0.00 0.00 43.42 39.77 3b78 n LEU 539 CO 0.00 1.73 0.33 1.51 -1.33 0.00 0.00 177.39 179.63 3b78 s ASP 540 N 0.82 -0.26 0.07 -1.43 3.84 -1.26 -4.72 116.67 113.73 3b78 s ASP 540 Ca 0.61 -0.55 0.01 0.00 -0.00 0.00 0.00 52.55 52.62 3b78 s ASP 540 Cb 0.36 0.63 -0.04 0.00 -1.38 0.00 0.00 42.92 42.50 3b78 s ASP 540 CO -0.16 -1.16 -0.06 0.00 -0.00 0.00 0.00 175.17 173.80 3b78 s ALA 541 N -3.90 0.75 -0.02 2.11 0.00 0.08 -1.82 121.76 118.96 3b78 s ALA 541 Ca 0.11 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3b78 s ALA 541 Cb -0.03 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.28 3b78 s ALA 541 CO 0.01 -0.24 -0.03 -1.50 0.00 0.00 0.00 175.76 174.00 3b78 s ILE 542 N -3.28 0.37 -0.10 0.00 1.10 -0.88 -1.61 121.20 116.80 3b78 s ILE 542 Ca 0.06 -0.11 0.04 0.00 -0.51 0.00 0.00 60.65 60.13 3b78 s ILE 542 Cb 0.03 -0.37 -0.00 0.00 0.15 0.00 0.00 42.46 42.26 3b78 s ILE 542 CO -0.05 0.15 -0.22 -0.89 -2.11 0.00 0.00 174.94 171.81 3b78 s THR 543 N 0.46 2.23 0.13 4.00 2.01 0.17 -0.77 115.64 123.87 3b78 s THR 543 Ca -0.05 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 60.73 3b78 s THR 543 Cb -0.08 -1.86 0.07 0.00 0.01 0.00 0.00 72.50 70.64 3b78 s THR 543 CO -0.00 0.56 1.00 -0.83 -0.69 0.00 0.00 174.62 174.65 3b78 s GLY 544 N 0.24 -0.26 0.15 4.40 0.00 -0.75 -0.88 107.32 110.23 3b78 s GLY 544 Ca -0.15 0.21 -0.33 0.00 0.00 0.00 0.00 44.72 44.46 3b78 s GLY 544 CO 0.07 0.02 1.70 -1.05 0.00 0.00 0.00 173.10 173.84 3b78 n PRO 545 N -0.47 2.48 0.24 2.90 -0.02 -1.25 -0.76 135.00 138.11 3b78 n PRO 545 Ca -0.06 0.90 0.07 0.00 -2.02 0.00 0.00 63.50 62.38 3b78 n PRO 545 Cb 0.61 -2.72 0.56 0.00 -0.02 0.00 0.00 33.50 31.93 3b78 n PRO 545 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3b78 h GLU 546 N 6.91 0.00 -2.41 -0.52 4.81 -1.38 -2.43 114.58 119.57 3b78 h GLU 546 Ca -0.45 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 3b78 h GLU 546 Cb 1.23 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.41 3b78 h GLU 546 CO 0.93 0.12 -0.01 -1.83 -0.73 0.00 0.00 179.01 177.49 3b78 s GLU 547 N -4.75 0.85 0.11 1.92 -1.05 -1.26 -4.66 118.70 109.86 3b78 s GLU 547 Ca -0.04 0.23 -0.34 0.00 -0.15 0.00 0.00 54.97 54.67 3b78 s GLU 547 Cb 0.16 0.40 -0.14 0.00 -0.44 0.00 0.00 34.13 34.11 3b78 s GLU 547 CO 0.68 -0.23 1.58 -0.85 0.95 0.00 0.00 175.26 177.40 3b78 n GLU 548 N 1.44 1.99 -0.51 -4.83 -0.00 -1.26 0.29 120.64 117.75 3b78 n GLU 548 Ca -0.19 0.72 0.00 0.00 -0.00 0.00 0.00 57.16 57.69 3b78 n GLU 548 Cb 0.56 -2.48 0.00 0.00 -0.00 0.00 0.00 31.44 29.53 3b78 n GLU 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3b78 n GLY 549 N 3.42 1.59 2.32 -1.84 0.00 -1.26 -5.02 105.19 104.41 3b78 n GLY 549 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3b78 n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 550 N -2.00 2.01 3.70 -0.02 0.00 0.14 -5.09 105.19 103.93 3b78 n GLY 550 Ca 0.00 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 3b78 n GLY 550 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b78 s HIS 551 N -1.17 1.86 0.25 1.61 3.76 -1.26 -4.65 115.29 115.70 3b78 s HIS 551 Ca 0.35 1.70 -0.26 0.00 -0.15 0.00 0.00 55.06 56.71 3b78 s HIS 551 Cb -0.03 -3.36 -0.09 0.00 1.11 0.00 0.00 32.58 30.21 3b78 s HIS 551 CO 0.22 -2.64 0.87 -0.51 -0.85 0.00 0.00 174.74 171.83 3b78 s LEU 552 N -6.05 4.46 0.09 0.89 1.43 -1.26 -1.09 118.68 117.15 3b78 s LEU 552 Ca 0.69 1.75 0.07 0.00 -1.03 0.00 0.00 54.13 55.60 3b78 s LEU 552 Cb -0.24 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 3b78 s LEU 552 CO 0.54 0.06 -0.18 -1.83 0.23 0.00 0.00 176.35 175.17 3b78 s GLU 553 N -1.66 0.98 -0.09 1.70 -1.05 0.06 -4.33 118.70 114.31 3b78 s GLU 553 Ca 0.44 -1.07 0.03 0.00 -0.15 0.00 0.00 54.97 54.21 3b78 s GLU 553 Cb -0.21 -1.11 -0.01 0.00 -0.44 0.00 0.00 34.13 32.35 3b78 s GLU 553 CO 0.26 0.25 -0.17 0.99 0.95 0.00 0.00 175.26 177.53 3b78 s THR 554 N -1.26 2.70 -0.28 1.83 2.01 0.45 -1.80 115.64 119.30 3b78 s THR 554 Ca 0.03 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 3b78 s THR 554 Cb -0.10 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3b78 s THR 554 CO 0.03 0.56 0.04 -0.63 -0.69 0.00 0.00 174.62 173.93 3b78 s ILE 555 N -0.05 3.68 -0.22 1.82 1.01 0.05 -1.01 121.20 126.48 3b78 s ILE 555 Ca -0.04 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.66 3b78 s ILE 555 Cb -0.14 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3b78 s ILE 555 CO 0.04 0.12 0.51 -0.76 0.00 0.00 0.00 174.94 174.85 3b78 s LEU 556 N 1.46 4.12 0.51 2.97 1.43 0.46 -2.07 118.68 127.55 3b78 s LEU 556 Ca 0.02 0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 53.54 3b78 s LEU 556 Cb -0.17 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.28 3b78 s LEU 556 CO 0.01 -0.21 0.83 0.61 0.23 0.00 0.00 176.35 177.82 3b78 n GLY 557 N 4.04 -0.68 0.28 -3.19 0.00 -0.75 -0.62 105.19 104.26 3b78 n GLY 557 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3b78 n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3b78 h TRP 558 N 0.84 0.73 -0.96 1.61 4.06 -1.72 0.23 115.95 120.74 3b78 h TRP 558 Ca -0.45 0.03 0.11 0.00 2.06 0.00 0.00 58.89 60.63 3b78 h TRP 558 Cb 1.37 -0.22 -0.07 0.00 -1.00 0.00 0.00 29.16 29.23 3b78 h TRP 558 CO 0.38 0.32 0.61 -1.35 -3.56 0.00 0.00 178.44 174.84 3b78 h PRO 559 N 0.71 0.93 -0.12 0.49 0.11 -1.87 -1.70 132.00 130.55 3b78 h PRO 559 Ca 0.34 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 3b78 h PRO 559 Cb 0.28 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.19 3b78 h PRO 559 CO -0.22 0.61 -0.64 1.25 -0.21 0.00 0.00 178.00 178.79 3b78 h LEU 560 N 0.96 0.77 -1.69 2.35 5.85 -0.98 -3.27 115.31 119.30 3b78 h LEU 560 Ca 0.46 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3b78 h LEU 560 Cb 0.44 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3b78 h LEU 560 CO -0.22 1.29 0.02 0.00 -0.34 0.00 0.00 178.44 179.19 3b78 h ALA 561 N 0.50 1.76 0.00 1.25 0.00 -0.15 -1.41 119.26 121.21 3b78 h ALA 561 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3b78 h ALA 561 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3b78 h ALA 561 CO 0.13 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.96 3b78 n GLU 562 N -4.43 0.83 -0.17 0.00 1.02 -0.68 -2.39 120.64 114.80 3b78 n GLU 562 Ca -0.01 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 3b78 n GLU 562 Cb 0.14 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.23 3b78 n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b78 n ARG 563 N -1.07 2.36 -1.89 3.49 5.12 -0.53 -4.87 116.66 119.26 3b78 n ARG 563 Ca 0.21 -2.01 -0.30 0.00 -1.93 0.00 0.00 57.85 53.82 3b78 n ARG 563 Cb 0.14 -1.34 0.05 0.00 -1.16 0.00 0.00 32.46 30.15 3b78 n ARG 563 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3b78 s THR 564 N -1.07 3.23 -0.12 0.55 -4.23 -1.01 -4.45 115.64 108.55 3b78 s THR 564 Ca 0.27 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.20 3b78 s THR 564 Cb 0.15 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.61 3b78 s THR 564 CO 0.20 -0.52 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.91 3b78 s VAL 565 N -3.40 1.66 -0.16 2.29 1.01 0.71 -4.83 120.40 117.68 3b78 s VAL 565 Ca 0.59 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3b78 s VAL 565 Cb -0.11 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 3b78 s VAL 565 CO 0.51 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 175.24 3b78 s VAL 566 N 1.03 2.66 0.21 2.92 1.01 -1.26 -0.57 120.40 126.40 3b78 s VAL 566 Ca -0.05 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.26 3b78 s VAL 566 Cb -0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3b78 s VAL 566 CO -0.03 0.51 -0.18 0.27 0.00 0.00 0.00 175.10 175.66 3b78 s ILE 567 N 0.86 2.03 0.65 2.22 -4.36 -0.62 -4.54 121.20 117.44 3b78 s ILE 567 Ca -0.04 -2.13 -0.17 0.00 -0.26 0.00 0.00 60.65 58.05 3b78 s ILE 567 Cb -0.15 -2.04 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 3b78 s ILE 567 CO -0.01 -0.38 1.24 -2.84 0.24 0.00 0.00 174.94 173.20 3b78 s PRO 568 N -3.16 2.57 0.32 0.37 0.02 -1.26 0.19 135.00 134.05 3b78 s PRO 568 Ca 0.22 1.91 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 3b78 s PRO 568 Cb -0.05 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3b78 s PRO 568 CO 0.09 -1.54 0.58 0.45 -0.33 0.00 0.00 177.00 176.25 3b78 s SER 569 N -1.62 6.40 0.00 2.53 0.15 -0.57 -4.55 113.70 116.03 3b78 s SER 569 Ca 0.79 0.69 0.25 0.00 0.70 0.00 0.00 55.95 58.38 3b78 s SER 569 Cb -0.33 -2.14 1.19 0.00 -1.71 0.00 0.00 66.02 63.04 3b78 s SER 569 CO 0.39 -0.26 1.80 0.00 1.20 0.00 0.00 173.24 176.38 3b78 n ALA 570 N -1.25 2.60 -2.60 5.45 0.00 -1.26 -4.75 120.51 118.70 3b78 n ALA 570 Ca -0.02 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 3b78 n ALA 570 Cb 0.54 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 3b78 n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3b78 s ILE 571 N -1.95 4.78 0.46 0.00 1.01 -1.26 -4.79 121.20 119.45 3b78 s ILE 571 Ca 0.37 1.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.85 3b78 s ILE 571 Cb 0.19 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 3b78 s ILE 571 CO 0.30 -0.33 0.92 -2.84 0.00 0.00 0.00 174.94 172.98 3b78 s PRO 572 N 2.99 3.99 0.45 2.79 0.02 -1.26 -4.48 135.00 139.51 3b78 s PRO 572 Ca 0.31 0.88 -0.00 0.00 0.02 0.00 0.00 61.00 62.21 3b78 s PRO 572 Cb -0.14 -2.22 -0.01 0.00 0.02 0.00 0.00 34.50 32.16 3b78 s PRO 572 CO 0.15 -0.13 0.68 0.95 -0.33 0.00 0.00 177.00 178.32 3b78 s THR 573 N -2.42 4.10 -0.36 0.99 -4.23 -1.26 -5.01 115.64 107.45 3b78 s THR 573 Ca 0.58 -0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 60.58 3b78 s THR 573 Cb -0.10 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 70.26 3b78 s THR 573 CO 0.26 -0.39 0.17 -0.62 -0.54 0.00 0.00 174.62 173.50 3b78 s ASP 574 N -4.20 5.54 0.51 3.99 -1.08 -1.26 -4.94 116.67 115.22 3b78 s ASP 574 Ca 0.48 -1.12 0.16 0.00 -0.52 0.00 0.00 52.55 51.55 3b78 s ASP 574 Cb -0.10 -1.95 1.23 0.00 -1.46 0.00 0.00 42.92 40.64 3b78 s ASP 574 CO 0.39 -0.38 2.12 1.55 0.52 0.00 0.00 175.17 179.37 3b78 h PRO 575 N 8.34 0.00 -0.22 4.34 0.13 -1.98 -2.21 132.00 140.40 3b78 h PRO 575 Ca -0.24 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3b78 h PRO 575 Cb 1.09 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3b78 h PRO 575 CO 0.65 0.03 0.00 0.54 -0.23 0.00 0.00 178.00 178.99 3b78 n ARG 576 N -4.50 2.42 -2.70 0.86 1.74 -1.26 -4.38 116.66 108.83 3b78 n ARG 576 Ca -0.03 -2.10 -0.07 0.00 -0.77 0.00 0.00 57.85 54.88 3b78 n ARG 576 Cb 0.12 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3b78 n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3b78 n ASN 577 N 1.40 1.30 -4.75 0.55 5.15 -0.86 -5.11 115.26 112.95 3b78 n ASN 577 Ca 0.17 -2.53 -0.41 0.00 -0.60 0.00 0.00 54.58 51.21 3b78 n ASN 577 Cb 0.60 -0.44 -0.02 0.00 -0.53 0.00 0.00 39.78 39.39 3b78 n ASN 577 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3b78 s VAL 578 N -3.11 2.42 0.00 3.44 1.01 -1.02 -1.95 120.40 121.19 3b78 s VAL 578 Ca 0.27 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3b78 s VAL 578 Cb 0.42 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3b78 s VAL 578 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3b78 n GLY 579 N 2.29 0.93 3.80 4.51 0.00 -1.26 -5.05 105.19 110.41 3b78 n GLY 579 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3b78 n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b78 s GLY 580 N -1.99 1.62 0.36 -0.02 0.00 -0.82 -5.05 107.32 101.42 3b78 s GLY 580 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 44.72 44.35 3b78 s GLY 580 CO 0.00 0.19 0.74 0.99 0.00 0.00 0.00 173.10 175.02 3b78 s ASP 581 N -3.93 6.62 0.10 1.64 1.01 -1.26 -4.86 116.67 115.99 3b78 s ASP 581 Ca 0.61 1.16 -0.31 0.00 0.71 0.00 0.00 52.55 54.73 3b78 s ASP 581 Cb -0.14 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.36 3b78 s ASP 581 CO 0.54 -0.30 1.68 -0.22 0.21 0.00 0.00 175.17 177.08 3b78 s LEU 582 N -3.46 4.37 -0.27 1.23 2.96 -1.26 -4.97 118.68 117.29 3b78 s LEU 582 Ca 0.52 2.59 -0.25 0.00 -0.22 0.00 0.00 54.13 56.77 3b78 s LEU 582 Cb -0.10 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 3b78 s LEU 582 CO 0.25 -0.91 0.84 -0.62 -1.32 0.00 0.00 176.35 174.59 3b78 s ASP 583 N 2.22 6.79 0.43 3.68 2.15 -1.26 -4.94 116.67 125.73 3b78 s ASP 583 Ca 0.75 0.93 0.22 0.00 0.43 0.00 0.00 52.55 54.88 3b78 s ASP 583 Cb -0.42 -2.44 1.18 0.00 -0.30 0.00 0.00 42.92 40.94 3b78 s ASP 583 CO 0.33 -0.57 1.79 -0.65 -0.17 0.00 0.00 175.17 175.90 3b78 h PRO 584 N 7.83 0.31 0.00 4.34 0.11 -1.98 0.85 132.00 143.47 3b78 h PRO 584 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3b78 h PRO 584 Cb 1.09 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3b78 h PRO 584 CO 0.89 0.21 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 3b78 h SER 585 N 0.32 0.00 0.49 -2.05 4.64 -2.03 -2.52 113.55 112.41 3b78 h SER 585 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3b78 h SER 585 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3b78 h SER 585 CO -0.23 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.19 3b78 n SER 586 N -2.36 0.00 -4.60 4.97 3.41 0.29 -4.70 113.62 110.63 3b78 n SER 586 Ca 0.03 -0.25 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 3b78 n SER 586 Cb 0.32 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 3b78 n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b78 s ILE 587 N -2.50 4.97 0.17 -1.33 1.01 -0.95 -4.63 121.20 117.95 3b78 s ILE 587 Ca 0.31 0.83 -0.33 0.00 0.00 0.00 0.00 60.65 61.46 3b78 s ILE 587 Cb 0.20 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.59 3b78 s ILE 587 CO 0.45 -0.09 1.70 -2.65 0.00 0.00 0.00 174.94 174.34 3b78 n PRO 588 N 5.79 2.56 -0.14 2.79 -0.02 -1.26 -4.87 135.00 139.85 3b78 n PRO 588 Ca -0.02 0.93 0.16 0.00 -2.02 0.00 0.00 63.50 62.54 3b78 n PRO 588 Cb 0.49 -2.75 0.52 0.00 -0.02 0.00 0.00 33.50 31.74 3b78 n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3b78 h ASP 589 N 6.81 0.35 0.41 2.55 3.32 -1.96 -0.66 116.42 127.24 3b78 h ASP 589 Ca -0.44 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 3b78 h ASP 589 Cb 1.22 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3b78 h ASP 589 CO 0.93 0.18 -0.41 0.11 -1.72 0.00 0.00 179.24 178.34 3b78 h LYS 590 N 0.37 0.00 0.10 3.56 1.57 -2.00 -2.39 116.57 117.79 3b78 h LYS 590 Ca 0.35 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.84 3b78 h LYS 590 Cb 0.85 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.18 3b78 h LYS 590 CO -0.10 0.41 -1.21 1.49 -0.57 0.00 0.00 179.45 179.47 3b78 h GLU 591 N 0.00 0.56 -0.18 3.15 4.81 -1.51 -3.20 114.58 118.21 3b78 h GLU 591 Ca -0.00 -0.74 0.04 0.00 -0.13 0.00 0.00 59.36 58.52 3b78 h GLU 591 Cb 0.72 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3b78 h GLU 591 CO 0.05 1.33 0.13 0.37 -0.73 0.00 0.00 179.01 180.16 3b78 h GLN 592 N 0.25 0.05 0.00 1.92 5.75 -1.19 -1.53 115.11 120.37 3b78 h GLN 592 Ca -0.17 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 3b78 h GLN 592 Cb 1.88 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.41 3b78 h GLN 592 CO 0.22 0.04 -0.19 0.00 -2.65 0.00 0.00 178.83 176.26 3b78 h ALA 593 N 1.91 1.00 -0.29 3.38 0.00 -1.42 -3.03 119.26 120.80 3b78 h ALA 593 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3b78 h ALA 593 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3b78 h ALA 593 CO -0.01 0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.91 3b78 n ILE 594 N -3.31 2.22 -0.70 0.00 -5.35 -0.60 -4.57 119.36 107.05 3b78 n ILE 594 Ca 0.01 -1.78 0.07 0.00 -0.27 0.00 0.00 62.75 60.77 3b78 n ILE 594 Cb 0.43 -0.20 0.19 0.00 -1.74 0.00 0.00 39.64 38.32 3b78 n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3b78 n SER 595 N -0.35 3.22 -4.76 7.28 7.64 -1.06 -4.97 113.62 120.62 3b78 n SER 595 Ca 0.21 -2.66 -0.39 0.00 1.01 0.00 0.00 58.87 57.04 3b78 n SER 595 Cb 0.88 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 63.70 3b78 n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b78 s ALA 596 N -2.18 3.03 0.16 -0.43 0.00 -1.26 -5.01 121.76 116.07 3b78 s ALA 596 Ca 0.32 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.59 3b78 s ALA 596 Cb 0.24 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3b78 s ALA 596 CO 0.09 -1.10 0.19 -0.51 0.00 0.00 0.00 175.76 174.43 3b78 s LEU 597 N -3.03 4.00 0.75 0.00 1.43 -1.26 -4.85 118.68 115.72 3b78 s LEU 597 Ca 0.65 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.61 3b78 s LEU 597 Cb -0.39 -2.60 0.05 0.00 0.03 0.00 0.00 46.19 43.29 3b78 s LEU 597 CO 0.48 0.06 1.10 -2.84 0.23 0.00 0.00 176.35 175.38 3b78 s PRO 598 N -3.15 2.32 -0.26 1.29 0.02 -1.26 -5.00 135.00 128.97 3b78 s PRO 598 Ca 0.32 1.24 -0.24 0.00 0.02 0.00 0.00 61.00 62.34 3b78 s PRO 598 Cb -0.10 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 3b78 s PRO 598 CO 0.25 -1.60 0.82 -0.51 -0.33 0.00 0.00 177.00 175.63 3b78 s ASP 599 N -3.16 6.79 0.33 2.53 1.01 -1.26 -5.05 116.67 117.86 3b78 s ASP 599 Ca 0.63 0.94 -0.08 0.00 0.71 0.00 0.00 52.55 54.75 3b78 s ASP 599 Cb -0.18 -2.43 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 3b78 s ASP 599 CO 0.53 -0.54 0.64 -0.31 0.21 0.00 0.00 175.17 175.69 3b78 s TYR 600 N 2.87 3.47 0.18 4.23 2.02 -1.26 -5.05 117.35 123.80 3b78 s TYR 600 Ca 0.34 0.83 -0.30 0.00 -0.37 0.00 0.00 57.07 57.57 3b78 s TYR 600 Cb -0.15 -2.25 -0.08 0.00 -0.40 0.00 0.00 41.96 39.08 3b78 s TYR 600 CO 0.09 0.08 1.09 0.00 -1.57 0.00 0.00 175.55 175.23 3b78 s ALA 601 N -2.16 3.36 -2.30 3.71 0.00 -1.08 -4.75 121.76 118.55 3b78 s ALA 601 Ca 0.47 0.79 0.20 0.00 0.00 0.00 0.00 51.96 53.43 3b78 s ALA 601 Cb -0.11 -3.34 0.11 0.00 0.00 0.00 0.00 23.12 19.78 3b78 s ALA 601 CO 0.29 -0.19 1.09 -1.13 0.00 0.00 0.00 175.76 175.83 3b78 n SER 602 N 2.36 2.42 -4.19 0.00 3.41 -1.26 -1.32 113.62 115.04 3b78 n SER 602 Ca 0.02 -1.71 -0.20 0.00 -0.26 0.00 0.00 58.87 56.72 3b78 n SER 602 Cb 0.46 0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.45 3b78 n SER 602 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3b78 s GLN 603 N -1.87 0.92 0.60 4.33 -1.52 -1.26 -4.92 119.66 115.95 3b78 s GLN 603 Ca 0.21 -0.96 -0.19 0.00 -1.95 0.00 0.00 55.36 52.47 3b78 s GLN 603 Cb 0.17 -0.99 -0.04 0.00 -0.22 0.00 0.00 33.01 31.93 3b78 s GLN 603 CO 0.33 0.23 1.14 -2.30 -0.25 0.00 0.00 175.29 174.44 3b78 n PRO 604 N 1.37 1.12 0.00 2.91 -0.02 -1.26 -5.03 135.00 134.09 3b78 n PRO 604 Ca -0.20 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 61.79 3b78 n PRO 604 Cb 0.54 -2.35 0.47 0.00 -0.02 0.00 0.00 33.50 32.14 3b78 n PRO 604 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89