#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i5p s VAL 501 N 0.00 1.40 -0.06 1.12 1.01 -0.15 -5.00 120.40 118.73 2i5p s VAL 501 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 2i5p s VAL 501 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2i5p s VAL 501 CO 0.00 0.26 0.75 -0.44 0.00 0.00 0.00 175.10 175.67 2i5p s SER 502 N 1.53 7.06 0.09 3.32 0.01 -1.26 -0.73 113.70 123.71 2i5p s SER 502 Ca 0.02 1.28 0.03 0.00 1.31 0.00 0.00 55.95 58.58 2i5p s SER 502 Cb -0.15 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2i5p s SER 502 CO -0.09 -0.15 -0.09 0.27 0.41 0.00 0.00 173.24 173.60 2i5p s ILE 503 N 0.87 0.82 -0.03 1.44 -4.36 -0.76 -1.27 121.20 117.91 2i5p s ILE 503 Ca 0.40 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 2i5p s ILE 503 Cb -0.18 -1.32 0.01 0.00 1.25 0.00 0.00 42.46 42.21 2i5p s ILE 503 CO 0.20 -0.60 -0.09 0.00 0.24 0.00 0.00 174.94 174.69 2i5p s ALA 504 N -2.55 0.85 -0.22 2.27 0.00 -0.73 -0.77 121.76 120.62 2i5p s ALA 504 Ca 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 2i5p s ALA 504 Cb -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2i5p s ALA 504 CO -0.01 0.12 0.05 0.42 0.00 0.00 0.00 175.76 176.34 2i5p s ILE 505 N 0.29 4.39 -0.24 0.00 1.01 0.29 -0.09 121.20 126.86 2i5p s ILE 505 Ca -0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.35 2i5p s ILE 505 Cb -0.09 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2i5p s ILE 505 CO 0.01 0.40 0.13 0.21 0.00 0.00 0.00 174.94 175.68 2i5p s ASN 506 N 1.07 5.84 0.00 3.58 2.47 0.67 -0.73 114.94 127.85 2i5p s ASN 506 Ca 0.04 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.35 2i5p s ASN 506 Cb -0.14 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 2i5p s ASN 506 CO 0.03 0.05 0.00 0.61 -3.72 0.00 0.00 177.10 174.07 2i5p n GLY 507 N 4.39 1.13 2.35 1.21 0.00 0.23 -0.56 105.19 113.94 2i5p n GLY 507 Ca -0.15 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 2i5p n GLY 507 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2i5p n PHE 508 N 2.81 3.07 -0.91 1.61 7.35 -1.26 -4.16 117.46 125.97 2i5p n PHE 508 Ca 0.00 -2.65 0.00 0.00 -0.76 0.00 0.00 57.45 54.04 2i5p n PHE 508 Cb 0.00 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.17 2i5p n PHE 508 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2i5p n GLY 509 N -0.67 0.46 0.24 7.13 0.00 -1.26 -4.59 105.19 106.50 2i5p n GLY 509 Ca 0.49 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.70 2i5p n GLY 509 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i5p h ARG 510 N 0.00 0.41 0.41 1.61 3.08 -1.94 -1.87 114.38 116.07 2i5p h ARG 510 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2i5p h ARG 510 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2i5p h ARG 510 CO 0.00 0.27 -0.19 0.82 -1.07 0.00 0.00 179.97 179.80 2i5p h ILE 511 N 0.42 0.31 -0.66 2.04 1.08 -1.93 -2.89 117.51 115.89 2i5p h ILE 511 Ca 0.33 -0.64 0.13 0.00 -0.39 0.00 0.00 64.86 64.29 2i5p h ILE 511 Cb 0.42 0.48 -0.13 0.00 -3.07 0.00 0.00 36.82 34.52 2i5p h ILE 511 CO -0.32 0.07 -0.18 1.23 -0.69 0.00 0.00 178.15 178.25 2i5p h GLY 512 N -1.03 0.43 1.03 5.37 0.00 -1.70 0.24 103.07 107.41 2i5p h GLY 512 Ca -0.06 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 2i5p h GLY 512 CO 0.09 -0.25 0.37 3.21 0.00 0.00 0.00 176.54 179.96 2i5p h ARG 513 N -0.02 1.12 -0.29 4.80 3.08 -1.45 0.35 114.38 121.99 2i5p h ARG 513 Ca 0.31 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 2i5p h ARG 513 Cb 0.49 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2i5p h ARG 513 CO -0.68 0.88 -0.46 1.25 -1.07 0.00 0.00 179.97 179.89 2i5p h LEU 514 N 1.10 0.81 -0.56 3.04 5.85 -1.00 -1.46 115.31 123.09 2i5p h LEU 514 Ca 0.27 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2i5p h LEU 514 Cb 0.13 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2i5p h LEU 514 CO -0.03 1.14 0.26 0.58 -0.34 0.00 0.00 178.44 180.05 2i5p h VAL 515 N 0.60 1.21 -0.42 1.05 2.07 -0.23 -0.75 116.25 119.77 2i5p h VAL 515 Ca 0.04 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2i5p h VAL 515 Cb 1.02 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2i5p h VAL 515 CO 0.10 0.24 0.23 0.25 0.02 0.00 0.00 177.57 178.40 2i5p h LEU 516 N 0.76 0.35 -0.13 2.57 5.85 -0.73 0.26 115.31 124.23 2i5p h LEU 516 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.95 2i5p h LEU 516 Cb 0.13 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2i5p h LEU 516 CO -0.02 0.25 -0.01 0.03 -0.34 0.00 0.00 178.44 178.35 2i5p h ARG 517 N 0.46 0.03 -0.08 1.25 3.08 -0.77 -0.60 114.38 117.75 2i5p h ARG 517 Ca 0.18 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2i5p h ARG 517 Cb 0.06 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2i5p h ARG 517 CO -0.11 0.02 0.02 0.82 -1.07 0.00 0.00 179.97 179.65 2i5p h ILE 518 N 0.03 1.19 -0.52 2.04 2.04 -0.76 -3.13 117.51 118.40 2i5p h ILE 518 Ca 0.06 -0.59 0.07 0.00 1.00 0.00 0.00 64.86 65.40 2i5p h ILE 518 Cb 0.08 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 2i5p h ILE 518 CO -0.11 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.41 2i5p h ALA 519 N 0.80 0.64 0.00 1.87 0.00 -0.37 -0.43 119.26 121.77 2i5p h ALA 519 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2i5p h ALA 519 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2i5p h ALA 519 CO 0.00 -0.18 0.14 1.28 0.00 0.00 0.00 179.25 180.49 2i5p n LEU 520 N -4.97 0.34 -0.13 0.00 4.77 -0.25 0.08 117.00 116.84 2i5p n LEU 520 Ca 0.05 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.73 2i5p n LEU 520 Cb 0.19 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2i5p n LEU 520 CO 0.25 -0.71 0.12 -0.62 -1.33 0.00 0.00 177.39 175.11 2i5p n GLU 521 N -1.97 0.34 -2.72 3.23 -0.58 -0.18 -4.87 120.64 113.89 2i5p n GLU 521 Ca -0.01 -0.27 -0.43 0.00 -0.42 0.00 0.00 57.16 56.03 2i5p n GLU 521 Cb 0.16 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 2i5p n GLU 521 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2i5p s ARG 522 N -2.85 3.65 0.43 3.49 1.81 0.11 -4.92 118.95 120.66 2i5p s ARG 522 Ca 0.12 0.39 0.21 0.00 -1.72 0.00 0.00 55.73 54.73 2i5p s ARG 522 Cb 0.17 -3.91 1.18 0.00 -0.45 0.00 0.00 34.95 31.94 2i5p s ARG 522 CO 0.76 -1.27 1.79 0.87 -0.68 0.00 0.00 175.30 176.77 2i5p h LYS 523 N 9.09 0.31 -0.67 3.54 1.57 -1.89 -1.09 116.57 127.43 2i5p h LYS 523 Ca -0.23 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 2i5p h LYS 523 Cb 1.07 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2i5p h LYS 523 CO 1.07 0.21 0.09 0.09 -0.57 0.00 0.00 179.45 180.34 2i5p n ASN 524 N -4.54 5.15 -4.28 0.86 3.02 -1.26 -4.49 115.26 109.72 2i5p n ASN 524 Ca 0.24 -2.95 -0.26 0.00 -0.03 0.00 0.00 54.58 51.59 2i5p n ASN 524 Cb 0.91 -0.69 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 2i5p n ASN 524 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2i5p s ILE 525 N -2.69 1.75 -0.27 2.41 1.01 -0.41 -0.57 121.20 122.44 2i5p s ILE 525 Ca 0.51 -1.36 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2i5p s ILE 525 Cb 0.39 -1.55 0.09 0.00 0.01 0.00 0.00 42.46 41.40 2i5p s ILE 525 CO 0.14 0.12 0.08 -0.62 0.00 0.00 0.00 174.94 174.67 2i5p s ASP 526 N -1.48 3.55 -0.15 3.58 -1.08 0.09 -4.70 116.67 116.48 2i5p s ASP 526 Ca 0.08 -1.29 -0.29 0.00 -0.52 0.00 0.00 52.55 50.53 2i5p s ASP 526 Cb -0.09 -0.66 -0.02 0.00 -1.46 0.00 0.00 42.92 40.69 2i5p s ASP 526 CO 0.03 -0.39 1.35 -0.69 0.52 0.00 0.00 175.17 176.00 2i5p s VAL 527 N 1.81 4.12 -0.05 1.11 1.01 -1.26 -1.83 120.40 125.30 2i5p s VAL 527 Ca 0.06 1.34 0.19 0.00 0.00 0.00 0.00 61.98 63.57 2i5p s VAL 527 Cb -0.17 -3.89 -0.29 0.00 0.00 0.00 0.00 36.38 32.03 2i5p s VAL 527 CO -0.22 -0.15 0.37 1.33 0.00 0.00 0.00 175.10 176.43 2i5p n VAL 528 N 5.48 0.19 -3.65 2.92 0.24 0.05 -4.78 118.33 118.77 2i5p n VAL 528 Ca 0.15 -0.49 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 2i5p n VAL 528 Cb 0.45 -0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.77 2i5p n VAL 528 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i5p s ALA 529 N -3.21 -1.69 0.04 2.33 0.00 -1.24 -1.85 121.76 116.15 2i5p s ALA 529 Ca -0.07 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 2i5p s ALA 529 Cb 0.11 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 2i5p s ALA 529 CO 0.80 -0.90 0.03 0.96 0.00 0.00 0.00 175.76 176.64 2i5p s ILE 530 N -3.29 0.15 -0.02 0.00 -4.36 -0.76 -0.54 121.20 112.38 2i5p s ILE 530 Ca 0.09 -1.25 -0.04 0.00 -0.26 0.00 0.00 60.65 59.19 2i5p s ILE 530 Cb -0.01 -0.92 0.00 0.00 1.25 0.00 0.00 42.46 42.78 2i5p s ILE 530 CO -0.02 -0.69 0.10 0.21 0.24 0.00 0.00 174.94 174.77 2i5p s ASN 531 N -2.20 -0.04 -0.30 4.36 2.47 0.10 -2.14 114.94 117.20 2i5p s ASN 531 Ca -0.04 0.03 -0.15 0.00 0.42 0.00 0.00 52.86 53.12 2i5p s ASN 531 Cb -0.01 0.20 0.15 0.00 -1.45 0.00 0.00 41.25 40.15 2i5p s ASN 531 CO -0.05 -0.14 0.96 -0.62 -3.72 0.00 0.00 177.10 173.52 2i5p s ASP 532 N -0.45 -0.60 0.00 -4.21 -1.08 -0.89 0.75 116.67 110.19 2i5p s ASP 532 Ca -0.05 0.86 0.27 0.00 -0.52 0.00 0.00 52.55 53.11 2i5p s ASP 532 Cb -0.03 1.54 0.93 0.00 -1.46 0.00 0.00 42.92 43.89 2i5p s ASP 532 CO 0.00 -0.13 1.70 -0.81 0.52 0.00 0.00 175.17 176.46 2i5p n PRO 532 N 4.55 0.15 0.00 4.34 -0.04 -1.26 -4.06 135.00 138.68 2i5p n PRO 532 Ca -0.13 -0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.39 2i5p n PRO 532 Cb 0.54 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.65 2i5p n PRO 532 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2i5p n PHE 533 N -1.37 0.00 -4.22 0.54 3.72 -1.26 -4.96 117.46 109.91 2i5p n PHE 533 Ca 0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.35 2i5p n PHE 533 Cb 0.33 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 2i5p n PHE 533 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2i5p s ILE 534 N -2.48 0.77 0.43 4.37 -4.36 -1.26 -5.15 121.20 113.53 2i5p s ILE 534 Ca 0.21 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.67 2i5p s ILE 534 Cb 0.19 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.95 2i5p s ILE 534 CO 0.55 -0.64 0.61 -0.94 0.24 0.00 0.00 174.94 174.77 2i5p s SER 536 N -3.14 5.67 0.34 4.36 1.04 -1.26 -4.91 113.70 115.80 2i5p s SER 536 Ca 0.19 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.49 2i5p s SER 536 Cb 0.05 -0.99 0.59 0.00 0.10 0.00 0.00 66.02 65.77 2i5p s SER 536 CO 0.01 -0.76 1.94 0.58 0.98 0.00 0.00 173.24 175.99 2i5p h VAL 537 N 0.53 1.18 -0.41 5.02 2.07 -1.96 0.22 116.25 122.90 2i5p h VAL 537 Ca -0.43 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 2i5p h VAL 537 Cb 1.27 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2i5p h VAL 537 CO 0.51 0.21 -0.10 -0.78 0.02 0.00 0.00 177.57 177.42 2i5p h ASP 538 N 0.75 0.79 -0.38 0.57 3.58 -1.94 -0.75 116.42 119.04 2i5p h ASP 538 Ca 0.19 -0.36 -0.13 0.00 0.42 0.00 0.00 57.03 57.14 2i5p h ASP 538 Cb 0.08 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2i5p h ASP 538 CO -0.02 0.97 -0.26 0.22 -2.88 0.00 0.00 179.24 177.27 2i5p h TYR 539 N 0.60 1.00 -0.79 0.28 3.20 -1.81 -1.97 116.97 117.47 2i5p h TYR 539 Ca 0.10 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2i5p h TYR 539 Cb 0.63 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 2i5p h TYR 539 CO 0.05 1.06 0.49 0.00 -1.64 0.00 0.00 178.16 178.12 2i5p h ALA 540 N 0.79 1.01 -0.54 1.82 0.00 -0.43 -0.04 119.26 121.86 2i5p h ALA 540 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2i5p h ALA 540 Cb 0.83 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2i5p h ALA 540 CO 0.07 0.46 0.02 0.00 0.00 0.00 0.00 179.25 179.81 2i5p h ALA 541 N 1.27 0.73 -0.28 0.00 0.00 -1.04 -1.76 119.26 118.17 2i5p h ALA 541 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2i5p h ALA 541 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2i5p h ALA 541 CO -0.06 0.53 0.10 -0.92 0.00 0.00 0.00 179.25 178.90 2i5p h TYR 542 N 0.82 0.45 -0.24 0.00 3.20 -0.84 -2.41 116.97 117.96 2i5p h TYR 542 Ca 0.16 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2i5p h TYR 542 Cb 0.50 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2i5p h TYR 542 CO 0.04 0.46 0.06 0.52 -1.64 0.00 0.00 178.16 177.60 2i5p h MET 543 N 0.30 0.38 -0.62 1.82 2.86 -0.98 0.49 114.93 119.19 2i5p h MET 543 Ca 0.09 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2i5p h MET 543 Cb 0.22 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 2i5p h MET 543 CO -0.00 0.48 0.36 0.35 1.06 0.00 0.00 176.91 179.16 2i5p h PHE 544 N 0.21 0.67 0.30 -0.22 3.57 -1.31 -1.77 116.94 118.39 2i5p h PHE 544 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2i5p h PHE 544 Cb 0.27 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2i5p h PHE 544 CO 0.01 0.36 -0.14 -0.22 -2.23 0.00 0.00 178.31 176.08 2i5p h LYS 545 N 0.70 -0.39 -3.23 1.11 1.63 -1.34 -3.37 116.57 111.67 2i5p h LYS 545 Ca 0.26 0.03 -0.72 0.00 -0.85 0.00 0.00 60.65 59.36 2i5p h LYS 545 Cb 0.09 0.09 -0.34 0.00 -0.60 0.00 0.00 32.23 31.46 2i5p h LYS 545 CO -0.13 -0.05 0.05 0.66 -3.45 0.00 0.00 179.45 176.52 2i5p n TYR 546 N -5.09 4.18 -2.78 1.91 4.01 0.16 -0.01 117.16 119.53 2i5p n TYR 546 Ca -0.09 -3.96 -0.43 0.00 -0.16 0.00 0.00 57.90 53.27 2i5p n TYR 546 Cb 0.27 -1.20 -0.04 0.00 -0.31 0.00 0.00 39.34 38.06 2i5p n TYR 546 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2i5p s ASP 547 N -0.25 6.53 0.59 7.72 -1.08 -0.67 -4.52 116.67 124.99 2i5p s ASP 547 Ca 0.29 0.19 0.30 0.00 -0.52 0.00 0.00 52.55 52.82 2i5p s ASP 547 Cb -0.05 -2.47 1.80 0.00 -1.46 0.00 0.00 42.92 40.74 2i5p s ASP 547 CO -0.09 -1.08 2.22 0.77 0.52 0.00 0.00 175.17 177.51 2i5p h SER 548 N 9.08 0.00 0.00 -0.34 4.64 -1.83 0.39 113.55 125.50 2i5p h SER 548 Ca -0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 2i5p h SER 548 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2i5p h SER 548 CO 1.04 0.00 -0.84 0.41 -0.87 0.00 0.00 176.83 176.57 2i5p n THR 549 N -3.82 1.46 1.13 2.95 -1.04 -1.26 -4.54 114.28 109.16 2i5p n THR 549 Ca -0.02 0.12 0.11 0.00 -2.04 0.00 0.00 64.05 62.22 2i5p n THR 549 Cb 0.14 -2.27 0.36 0.00 -1.82 0.00 0.00 70.33 66.74 2i5p n THR 549 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2i5p n HIS 550 N -4.54 0.21 -1.30 -1.42 8.25 -1.20 -5.06 115.22 110.16 2i5p n HIS 550 Ca -0.17 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 2i5p n HIS 550 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2i5p n HIS 550 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i5p n GLY 551 N 1.19 -2.49 3.69 -1.41 0.00 0.14 -4.86 105.19 101.45 2i5p n GLY 551 Ca 0.17 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 2i5p n GLY 551 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i5p s LYS 552 N -0.51 4.44 0.02 1.61 2.20 -1.26 -2.00 119.74 124.24 2i5p s LYS 552 Ca 0.00 1.43 -0.30 0.00 -0.36 0.00 0.00 55.97 56.74 2i5p s LYS 552 Cb 0.00 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.73 2i5p s LYS 552 CO 0.00 -0.28 1.62 -0.47 -0.36 0.00 0.00 175.35 175.86 2i5p s TYR 553 N 1.83 2.33 0.34 4.03 5.04 0.98 -4.89 117.35 127.01 2i5p s TYR 553 Ca 0.50 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 2i5p s TYR 553 Cb -0.20 -3.91 0.59 0.00 0.35 0.00 0.00 41.96 38.80 2i5p s TYR 553 CO 0.20 -3.67 1.95 0.87 -1.34 0.00 0.00 175.55 173.56 2i5p h LYS 554 N 8.65 0.75 0.00 4.97 1.57 -1.94 -3.44 116.57 127.14 2i5p h LYS 554 Ca -0.41 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.10 2i5p h LYS 554 Cb 1.19 -0.15 0.10 0.00 0.08 0.00 0.00 32.23 33.45 2i5p h LYS 554 CO 0.93 0.58 0.00 0.41 -0.57 0.00 0.00 179.45 180.81 2i5p n GLY 555 N -1.20 -3.07 3.62 3.86 0.00 -1.26 -5.02 105.19 102.12 2i5p n GLY 555 Ca 0.05 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 2i5p n GLY 555 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i5p s GLU 556 N -4.10 3.93 0.02 1.61 2.02 -1.26 -4.98 118.70 115.94 2i5p s GLU 556 Ca 0.33 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 54.99 2i5p s GLU 556 Cb -0.04 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 2i5p s GLU 556 CO 0.26 0.28 -0.10 0.14 0.02 0.00 0.00 175.26 175.86 2i5p s VAL 557 N 0.34 0.77 0.00 2.63 -7.23 -1.26 -0.72 120.40 114.93 2i5p s VAL 557 Ca 0.02 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2i5p s VAL 557 Cb -0.12 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2i5p s VAL 557 CO 0.00 -0.05 0.00 -1.54 -0.31 0.00 0.00 175.10 173.21 2i5p n SER 558 N 2.13 0.00 -2.33 4.85 3.41 -0.50 -5.00 113.62 116.17 2i5p n SER 558 Ca -0.18 -0.79 -0.04 0.00 -0.26 0.00 0.00 58.87 57.61 2i5p n SER 558 Cb 0.56 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 2i5p n SER 558 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i5p n HIS 559 N 0.00 -1.41 -2.63 7.33 1.44 -1.26 -0.10 115.22 118.59 2i5p n HIS 559 Ca 0.00 -0.97 0.02 0.00 -2.01 0.00 0.00 57.72 54.76 2i5p n HIS 559 Cb 0.00 0.48 0.03 0.00 0.12 0.00 0.00 29.99 30.62 2i5p n HIS 559 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2i5p n ASP 560 N -1.17 1.13 0.00 4.39 5.68 -0.95 -4.93 116.55 120.70 2i5p n ASP 560 Ca -0.03 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 2i5p n ASP 560 Cb 0.38 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2i5p n ASP 560 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i5p n GLY 561 N 0.00 0.16 0.00 6.12 0.00 -1.26 -4.46 105.19 105.75 2i5p n GLY 561 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2i5p n GLY 561 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2i5p n SER 562 N -0.28 0.14 -4.11 1.61 2.88 -1.26 -4.89 113.62 107.70 2i5p n SER 562 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2i5p n SER 562 Cb 0.14 0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.50 2i5p n SER 562 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2i5p s ASN 563 N -1.67 1.22 0.05 -3.46 0.01 -1.26 -2.73 114.94 107.10 2i5p s ASN 563 Ca 0.00 -0.60 -0.18 0.00 -0.71 0.00 0.00 52.86 51.37 2i5p s ASN 563 Cb 0.00 0.00 -0.06 0.00 0.41 0.00 0.00 41.25 41.60 2i5p s ASN 563 CO 0.00 -0.17 0.51 -0.22 -1.51 0.00 0.00 177.10 175.72 2i5p s LEU 564 N -1.73 4.51 -0.33 0.60 2.96 0.16 -2.25 118.68 122.60 2i5p s LEU 564 Ca -0.05 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 2i5p s LEU 564 Cb -0.09 -2.79 0.09 0.00 0.50 0.00 0.00 46.19 43.90 2i5p s LEU 564 CO 0.01 0.29 0.03 -0.63 -1.32 0.00 0.00 176.35 174.73 2i5p s ILE 565 N -1.09 2.50 -0.31 6.68 1.01 0.86 0.38 121.20 131.23 2i5p s ILE 565 Ca 0.27 -2.01 -0.04 0.00 0.00 0.00 0.00 60.65 58.87 2i5p s ILE 565 Cb -0.19 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.64 2i5p s ILE 565 CO 0.17 -0.41 0.04 -0.63 0.00 0.00 0.00 174.94 174.11 2i5p s ILE 566 N 1.03 3.38 -1.44 2.92 1.01 0.10 -1.41 121.20 126.79 2i5p s ILE 566 Ca 0.04 -1.17 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 2i5p s ILE 566 Cb -0.20 -2.88 0.05 0.00 0.01 0.00 0.00 42.46 39.44 2i5p s ILE 566 CO -0.06 -0.08 0.71 0.59 0.00 0.00 0.00 174.94 176.10 2i5p n ASN 567 N 4.73 -4.98 0.00 3.58 3.02 0.11 -0.40 115.26 121.32 2i5p n ASN 567 Ca -0.13 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 2i5p n ASN 567 Cb 0.45 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 2i5p n ASN 567 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i5p n GLY 568 N -1.48 2.46 3.65 7.41 0.00 -1.26 -5.01 105.19 110.95 2i5p n GLY 568 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2i5p n GLY 568 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i5p s LYS 569 N -0.44 4.20 -0.00 1.61 2.36 0.47 -5.03 119.74 122.90 2i5p s LYS 569 Ca 0.00 0.93 -0.26 0.00 -2.55 0.00 0.00 55.97 54.09 2i5p s LYS 569 Cb 0.00 -3.63 -0.04 0.00 -1.05 0.00 0.00 37.83 33.11 2i5p s LYS 569 CO 0.00 -0.47 0.80 0.21 1.55 0.00 0.00 175.35 177.44 2i5p s LYS 570 N 2.66 4.50 -0.15 4.03 2.20 -1.26 -0.72 119.74 131.01 2i5p s LYS 570 Ca 0.35 1.09 -0.00 0.00 -0.36 0.00 0.00 55.97 57.05 2i5p s LYS 570 Cb -0.16 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2i5p s LYS 570 CO 0.08 0.13 -0.08 0.08 -0.36 0.00 0.00 175.35 175.21 2i5p s VAL 571 N 0.47 1.22 0.56 4.02 1.01 0.16 -4.89 120.40 122.94 2i5p s VAL 571 Ca 0.41 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2i5p s VAL 571 Cb -0.20 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2i5p s VAL 571 CO 0.23 0.27 1.24 0.00 0.00 0.00 0.00 175.10 176.84 2i5p n ALA 572 N 4.86 1.14 -3.19 5.51 0.00 -0.77 0.40 120.51 128.46 2i5p n ALA 572 Ca -0.13 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 2i5p n ALA 572 Cb 0.49 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.50 2i5p n ALA 572 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i5p s VAL 573 N -1.34 0.92 0.24 0.00 1.01 -1.10 -1.82 120.40 118.31 2i5p s VAL 573 Ca 0.73 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.34 2i5p s VAL 573 Cb -0.43 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2i5p s VAL 573 CO 0.48 0.29 -0.00 -0.36 0.00 0.00 0.00 175.10 175.51 2i5p s PHE 574 N 0.37 1.63 -0.20 5.22 0.40 -0.91 -4.88 117.98 119.60 2i5p s PHE 574 Ca -0.07 -0.91 0.18 0.00 -0.60 0.00 0.00 56.93 55.53 2i5p s PHE 574 Cb -0.11 -0.95 0.47 0.00 0.51 0.00 0.00 43.02 42.93 2i5p s PHE 574 CO 0.01 -0.01 1.16 1.04 0.70 0.00 0.00 175.22 178.12 2i5p n GLN 575 N -0.45 1.83 -2.57 0.44 6.02 -1.26 -2.10 117.38 119.29 2i5p n GLN 575 Ca -0.05 -3.33 -0.42 0.00 -0.01 0.00 0.00 57.00 53.20 2i5p n GLN 575 Cb 0.64 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.43 2i5p n GLN 575 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2i5p s GLU 576 N -2.85 4.54 0.27 -1.09 0.41 -1.26 -4.25 118.70 114.47 2i5p s GLU 576 Ca 0.36 1.61 0.24 0.00 -0.41 0.00 0.00 54.97 56.78 2i5p s GLU 576 Cb 0.37 -3.37 0.51 0.00 -1.78 0.00 0.00 34.13 29.85 2i5p s GLU 576 CO -0.05 -0.05 1.58 -0.22 -0.49 0.00 0.00 175.26 176.02 2i5p h LYS 577 N 6.23 0.00 -4.43 1.61 3.64 -1.95 -3.38 116.57 118.29 2i5p h LYS 577 Ca -0.42 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.33 2i5p h LYS 577 Cb 1.21 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.65 2i5p h LYS 577 CO 0.76 0.00 -0.78 0.34 -2.27 0.00 0.00 179.45 177.50 2i5p s ASP 578 N -5.10 4.09 0.59 4.20 2.15 -1.26 -5.00 116.67 116.35 2i5p s ASP 578 Ca 0.08 -1.38 0.31 0.00 0.43 0.00 0.00 52.55 51.98 2i5p s ASP 578 Cb 0.10 -1.28 1.33 0.00 -0.30 0.00 0.00 42.92 42.77 2i5p s ASP 578 CO 0.66 -0.26 1.66 -0.65 -0.17 0.00 0.00 175.17 176.41 2i5p h PRO 579 N 7.89 0.00 0.00 4.34 0.11 -1.94 -0.95 132.00 141.44 2i5p h PRO 579 Ca -0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 2i5p h PRO 579 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2i5p h PRO 579 CO 0.44 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.19 2i5p h ALA 580 N 1.11 1.63 -0.09 -0.75 0.00 -1.95 -2.30 119.26 116.91 2i5p h ALA 580 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2i5p h ALA 580 Cb 2.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2i5p h ALA 580 CO -0.00 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.55 2i5p n THR 581 N -4.05 0.11 -2.46 0.00 -2.24 -0.36 -4.32 114.28 100.95 2i5p n THR 581 Ca -0.03 -0.32 -0.39 0.00 -2.27 0.00 0.00 64.05 61.04 2i5p n THR 581 Cb 0.13 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 2i5p n THR 581 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2i5p s LEU 582 N -1.80 4.43 0.00 3.22 1.43 -0.87 -4.93 118.68 120.17 2i5p s LEU 582 Ca 0.35 2.24 -0.05 0.00 -1.03 0.00 0.00 54.13 55.64 2i5p s LEU 582 Cb 0.20 -3.78 -0.23 0.00 0.03 0.00 0.00 46.19 42.41 2i5p s LEU 582 CO 0.30 -0.27 3.26 -0.81 0.23 0.00 0.00 176.35 179.06 2i5p n PRO 583 N 0.82 1.77 -0.03 1.29 -0.04 -1.26 -4.48 135.00 133.06 2i5p n PRO 583 Ca 0.01 -0.84 -0.04 0.00 -0.04 0.00 0.00 63.50 62.58 2i5p n PRO 583 Cb 0.46 -1.88 0.18 0.00 -0.04 0.00 0.00 33.50 32.22 2i5p n PRO 583 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2i5p h TRP 584 N 3.05 0.67 0.16 0.54 -0.00 -1.86 0.10 115.95 118.61 2i5p h TRP 584 Ca 0.16 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.89 58.92 2i5p h TRP 584 Cb 1.36 -0.17 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 2i5p h TRP 584 CO 1.60 0.74 -0.08 0.78 -0.00 0.00 0.00 178.44 181.48 2i5p h GLY 585 N 0.98 -0.23 2.00 1.49 0.00 -0.39 -0.56 103.07 106.37 2i5p h GLY 585 Ca 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2i5p h GLY 585 CO 0.04 -0.08 -0.02 0.50 0.00 0.00 0.00 176.54 176.98 2i5p h LYS 586 N -0.61 0.00 0.00 4.80 1.57 -1.79 -1.43 116.57 119.10 2i5p h LYS 586 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2i5p h LYS 586 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2i5p h LYS 586 CO 0.04 0.02 -0.46 1.28 -0.57 0.00 0.00 179.45 179.75 2i5p n LEU 587 N -4.21 0.46 -2.50 2.94 4.77 0.01 -4.96 117.00 113.52 2i5p n LEU 587 Ca -0.03 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 2i5p n LEU 587 Cb 0.10 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 2i5p n LEU 587 CO 0.31 0.10 0.08 0.61 -1.33 0.00 0.00 177.39 177.17 2i5p n GLY 588 N 1.49 -0.04 3.61 -0.72 0.00 -0.54 -4.96 105.19 104.03 2i5p n GLY 588 Ca 0.05 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2i5p n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i5p s VAL 589 N -3.22 4.42 -0.02 1.61 1.01 -0.32 -4.72 120.40 119.15 2i5p s VAL 589 Ca 0.06 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.15 2i5p s VAL 589 Cb -0.03 -4.46 -0.22 0.00 0.00 0.00 0.00 36.38 31.66 2i5p s VAL 589 CO 0.45 -0.71 1.09 0.44 0.00 0.00 0.00 175.10 176.37 2i5p h ASP 590 N 8.67 0.34 -3.35 3.32 3.32 -1.52 -1.11 116.42 126.09 2i5p h ASP 590 Ca -0.22 -0.73 -0.44 0.00 0.02 0.00 0.00 57.03 55.65 2i5p h ASP 590 Cb 1.07 -0.10 -0.36 0.00 0.22 0.00 0.00 39.33 40.16 2i5p h ASP 590 CO 1.05 1.02 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.19 2i5p s ILE 591 N -3.30 0.58 -0.28 0.35 1.01 -0.67 0.43 121.20 119.33 2i5p s ILE 591 Ca -0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2i5p s ILE 591 Cb 0.02 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 2i5p s ILE 591 CO 0.77 0.26 0.20 0.00 0.00 0.00 0.00 174.94 176.17 2i5p s ALA 592 N 1.36 3.54 -0.40 9.38 0.00 -0.01 -1.77 121.76 133.85 2i5p s ALA 592 Ca -0.04 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 2i5p s ALA 592 Cb -0.13 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.51 2i5p s ALA 592 CO -0.03 -0.54 0.37 0.08 0.00 0.00 0.00 175.76 175.64 2i5p s VAL 593 N 1.76 5.17 -0.41 0.00 1.01 0.87 -1.28 120.40 127.51 2i5p s VAL 593 Ca 0.08 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2i5p s VAL 593 Cb -0.16 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2i5p s VAL 593 CO 0.11 -0.33 0.30 -0.62 0.00 0.00 0.00 175.10 174.56 2i5p s ASP 594 N 1.75 6.02 -0.35 3.32 -1.08 -0.54 -0.24 116.67 125.54 2i5p s ASP 594 Ca 0.09 -1.03 0.07 0.00 -0.52 0.00 0.00 52.55 51.16 2i5p s ASP 594 Cb -0.18 -2.13 0.51 0.00 -1.46 0.00 0.00 42.92 39.66 2i5p s ASP 594 CO 0.12 -0.48 1.53 -1.54 0.52 0.00 0.00 175.17 175.32 2i5p n SER 595 N 5.12 3.56 0.05 -0.34 3.41 0.28 -2.27 113.62 123.43 2i5p n SER 595 Ca -0.11 -3.78 0.05 0.00 -0.26 0.00 0.00 58.87 54.77 2i5p n SER 595 Cb 0.46 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 2i5p n SER 595 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2i5p n THR 596 N -1.04 0.90 -1.07 6.66 -2.24 -1.23 -4.67 114.28 111.60 2i5p n THR 596 Ca 0.41 -0.63 -0.02 0.00 -2.27 0.00 0.00 64.05 61.54 2i5p n THR 596 Cb 1.04 -0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 2i5p n THR 596 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i5p n GLY 597 N 1.32 0.54 0.00 3.38 0.00 -1.26 -4.84 105.19 104.32 2i5p n GLY 597 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2i5p n GLY 597 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i5p n VAL 598 N -2.74 0.00 -2.79 1.61 0.24 -1.26 -4.73 118.33 108.67 2i5p n VAL 598 Ca -0.02 -0.44 -0.23 0.00 -2.04 0.00 0.00 64.34 61.61 2i5p n VAL 598 Cb 0.17 0.96 -0.01 0.00 -1.47 0.00 0.00 33.84 33.49 2i5p n VAL 598 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2i5p n PHE 599 N -1.00 2.75 1.07 6.34 3.72 -1.26 -4.85 117.46 124.24 2i5p n PHE 599 Ca 0.00 -3.49 0.12 0.00 -0.05 0.00 0.00 57.45 54.02 2i5p n PHE 599 Cb 0.00 -0.33 0.12 0.00 -0.94 0.00 0.00 39.48 38.33 2i5p n PHE 599 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2i5p n LYS 600 N -0.21 0.67 -3.36 -1.08 2.85 -1.26 -3.89 118.16 111.89 2i5p n LYS 600 Ca 0.29 -0.50 -0.19 0.00 -1.05 0.00 0.00 58.31 56.87 2i5p n LYS 600 Cb 0.59 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.48 2i5p n LYS 600 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2i5p s GLU 601 N -2.67 2.93 0.09 -1.58 0.41 -1.26 -4.57 118.70 112.04 2i5p s GLU 601 Ca 0.17 -1.17 -0.25 0.00 -0.41 0.00 0.00 54.97 53.32 2i5p s GLU 601 Cb 0.18 -2.72 -0.14 0.00 -1.78 0.00 0.00 34.13 29.67 2i5p s GLU 601 CO 0.64 -0.07 1.71 -0.07 -0.49 0.00 0.00 175.26 176.98 2i5p h LEU 602 N 0.86 -0.22 0.02 1.80 3.38 -1.92 0.16 115.31 119.40 2i5p h LEU 602 Ca -0.43 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2i5p h LEU 602 Cb 1.26 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2i5p h LEU 602 CO 0.51 -0.14 -0.11 -2.24 0.09 0.00 0.00 178.44 176.56 2i5p h ASP 603 N -0.20 -0.30 -0.01 -0.43 2.03 -1.99 -1.81 116.42 113.71 2i5p h ASP 603 Ca -0.00 0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2i5p h ASP 603 Cb 0.18 0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 38.81 2i5p h ASP 603 CO -0.01 -0.15 -0.00 0.77 -1.03 0.00 0.00 179.24 178.81 2i5p h SER 604 N -0.19 0.02 0.20 4.15 4.64 -1.91 -2.92 113.55 117.54 2i5p h SER 604 Ca 0.03 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2i5p h SER 604 Cb 0.23 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2i5p h SER 604 CO -0.09 0.41 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 2i5p n ALA 605 N -2.30 1.38 0.23 5.18 0.00 0.57 -2.35 120.51 123.22 2i5p n ALA 605 Ca -0.08 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.40 2i5p n ALA 605 Cb 0.21 -1.11 0.55 0.00 0.00 0.00 0.00 19.45 19.10 2i5p n ALA 605 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2i5p h GLN 606 N 0.00 0.00 -0.77 0.00 5.75 -1.12 -3.01 115.11 115.96 2i5p h GLN 606 Ca 0.00 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.64 2i5p h GLN 606 Cb 0.10 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.56 2i5p h GLN 606 CO 0.00 0.17 0.34 0.87 -2.65 0.00 0.00 178.83 177.56 2i5p h LYS 607 N 0.00 0.48 -0.04 1.69 1.57 -1.64 0.33 116.57 118.96 2i5p h LYS 607 Ca -0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2i5p h LYS 607 Cb 0.32 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2i5p h LYS 607 CO 0.02 0.32 0.03 0.45 -0.57 0.00 0.00 179.45 179.70 2i5p h HIS 608 N 0.50 0.00 -0.05 -1.35 3.86 -1.78 0.10 115.15 116.43 2i5p h HIS 608 Ca 0.42 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.55 2i5p h HIS 608 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2i5p h HIS 608 CO -0.14 0.00 -0.29 0.82 0.86 0.00 0.00 177.93 179.18 2i5p h ILE 609 N 0.00 1.46 -0.93 2.45 1.08 -0.54 -1.22 117.51 119.80 2i5p h ILE 609 Ca 0.02 -1.76 0.06 0.00 -0.39 0.00 0.00 64.86 62.79 2i5p h ILE 609 Cb 0.08 2.44 -0.06 0.00 -3.07 0.00 0.00 36.82 36.21 2i5p h ILE 609 CO -0.00 0.50 0.59 0.44 -0.69 0.00 0.00 178.15 178.99 2i5p h ASP 610 N -0.27 0.95 0.25 1.72 3.32 0.06 -0.55 116.42 121.90 2i5p h ASP 610 Ca -0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2i5p h ASP 610 Cb 0.96 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2i5p h ASP 610 CO 0.06 0.62 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 2i5p n ALA 611 N -2.36 1.37 0.00 3.45 0.00 0.23 -4.81 120.51 118.39 2i5p n ALA 611 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2i5p n ALA 611 Cb 0.16 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2i5p n ALA 611 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i5p n GLY 612 N -0.71 1.12 3.72 0.00 0.00 -0.22 0.14 105.19 109.24 2i5p n GLY 612 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2i5p n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i5p s ALA 613 N -2.00 3.25 0.09 4.61 0.00 -0.47 -3.73 121.76 123.51 2i5p s ALA 613 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 2i5p s ALA 613 Cb 0.00 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.83 2i5p s ALA 613 CO 0.00 -0.14 1.65 0.87 0.00 0.00 0.00 175.76 178.14 2i5p h LYS 614 N 6.64 -0.58 -4.85 0.00 1.57 -0.99 -3.38 116.57 114.99 2i5p h LYS 614 Ca -0.41 0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.09 2i5p h LYS 614 Cb 1.21 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.50 2i5p h LYS 614 CO 0.75 -0.38 -0.64 0.15 -0.57 0.00 0.00 179.45 178.75 2i5p s LYS 615 N -6.08 1.25 -0.02 3.15 1.02 0.17 -4.92 119.74 114.32 2i5p s LYS 615 Ca -0.16 -1.64 0.02 0.00 0.02 0.00 0.00 55.97 54.21 2i5p s LYS 615 Cb 0.05 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.10 2i5p s LYS 615 CO 0.64 -0.21 -0.08 0.08 -0.92 0.00 0.00 175.35 174.86 2i5p s VAL 616 N -3.70 0.64 -0.17 3.17 1.01 0.14 -0.83 120.40 120.66 2i5p s VAL 616 Ca 0.31 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2i5p s VAL 616 Cb 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.90 2i5p s VAL 616 CO 0.09 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.52 2i5p s VAL 617 N 0.10 1.92 -0.27 2.92 1.01 -0.41 -0.72 120.40 124.96 2i5p s VAL 617 Ca -0.01 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 2i5p s VAL 617 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2i5p s VAL 617 CO 0.00 0.51 0.41 -0.63 0.00 0.00 0.00 175.10 175.38 2i5p s ILE 618 N 1.34 5.15 -0.05 2.22 1.01 0.11 -1.47 121.20 129.51 2i5p s ILE 618 Ca 0.05 0.64 -0.04 0.00 0.00 0.00 0.00 60.65 61.30 2i5p s ILE 618 Cb -0.13 -3.73 -0.15 0.00 0.01 0.00 0.00 42.46 38.46 2i5p s ILE 618 CO -0.12 0.14 3.02 0.35 0.00 0.00 0.00 174.94 178.33 2i5p n THR 619 N 5.13 2.72 -3.50 2.92 -2.24 -0.96 -1.59 114.28 116.76 2i5p n THR 619 Ca -0.07 -1.32 -0.09 0.00 -2.27 0.00 0.00 64.05 60.29 2i5p n THR 619 Cb 0.50 -1.80 -0.02 0.00 -2.10 0.00 0.00 70.33 66.92 2i5p n THR 619 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i5p s ALA 620 N 0.39 -1.81 0.42 6.98 0.00 -1.24 -4.93 121.76 121.56 2i5p s ALA 620 Ca 0.45 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.19 2i5p s ALA 620 Cb 0.23 0.35 -0.08 0.00 0.00 0.00 0.00 23.12 23.62 2i5p s ALA 620 CO -0.02 -0.66 1.30 -1.25 0.00 0.00 0.00 175.76 175.13 2i5p s PRO 621 N -2.96 3.88 0.04 0.00 0.04 -1.14 -3.98 135.00 130.89 2i5p s PRO 621 Ca 0.04 2.13 0.07 0.00 0.04 0.00 0.00 61.00 63.28 2i5p s PRO 621 Cb -0.01 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 2i5p s PRO 621 CO -0.08 -0.55 -0.21 0.45 0.04 0.00 0.00 177.00 176.64 2i5p s SER 622 N -0.81 2.55 0.12 6.66 0.15 -1.26 -4.97 113.70 116.14 2i5p s SER 622 Ca 0.59 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 56.76 2i5p s SER 622 Cb -0.37 -0.22 -0.20 0.00 -1.71 0.00 0.00 66.02 63.51 2i5p s SER 622 CO 0.48 0.18 1.26 0.11 1.20 0.00 0.00 173.24 176.46 2i5p h LYS 622 N 4.92 0.08 0.00 5.44 1.57 -1.96 -3.41 116.57 123.22 2i5p h LYS 622 Ca -0.43 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.02 2i5p h LYS 622 Cb 1.16 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 2i5p h LYS 622 CO 0.44 1.04 -1.73 0.25 -0.57 0.00 0.00 179.45 178.88 2i5p n THR 624 N -3.43 0.73 -2.19 -0.16 -2.24 -1.26 -5.02 114.28 100.72 2i5p n THR 624 Ca -0.02 -0.26 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 2i5p n THR 624 Cb 0.95 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 2i5p n THR 624 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i5p s ALA 625 N -2.25 3.10 0.07 6.98 0.00 -1.26 -4.88 121.76 123.52 2i5p s ALA 625 Ca -0.18 1.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.52 2i5p s ALA 625 Cb 0.05 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 2i5p s ALA 625 CO 0.28 -0.70 1.58 -1.25 0.00 0.00 0.00 175.76 175.67 2i5p s PRO 626 N -2.44 4.22 0.15 0.00 0.04 -1.26 -4.65 135.00 131.07 2i5p s PRO 626 Ca 0.60 2.25 -0.11 0.00 0.04 0.00 0.00 61.00 63.78 2i5p s PRO 626 Cb -0.33 -3.51 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 2i5p s PRO 626 CO 0.41 -0.67 0.49 -1.64 0.04 0.00 0.00 177.00 175.63 2i5p s MET 627 N 2.29 3.83 0.01 4.56 -1.94 -1.26 -1.24 119.30 125.56 2i5p s MET 627 Ca 0.71 0.28 0.01 0.00 -1.71 0.00 0.00 55.69 54.98 2i5p s MET 627 Cb -0.38 -2.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.58 2i5p s MET 627 CO 0.31 0.45 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.69 2i5p s PHE 628 N -1.56 0.25 -0.16 -0.03 0.08 -0.38 -4.74 117.98 111.43 2i5p s PHE 628 Ca 0.39 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 57.20 2i5p s PHE 628 Cb -0.13 -0.16 0.04 0.00 -0.57 0.00 0.00 43.02 42.19 2i5p s PHE 628 CO 0.20 -0.07 -0.07 0.08 -0.10 0.00 0.00 175.22 175.26 2i5p s VAL 629 N -0.65 1.18 0.15 -0.44 1.01 -1.26 -4.29 120.40 116.11 2i5p s VAL 629 Ca -0.06 -0.60 -0.33 0.00 0.00 0.00 0.00 61.98 60.99 2i5p s VAL 629 Cb -0.05 -1.30 -0.12 0.00 0.00 0.00 0.00 36.38 34.91 2i5p s VAL 629 CO -0.00 0.20 1.71 0.52 0.00 0.00 0.00 175.10 177.52 2i5p n VAL 630 N 4.86 0.12 -0.34 2.92 0.31 -1.26 -0.32 118.33 124.62 2i5p n VAL 630 Ca -0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2i5p n VAL 630 Cb 0.48 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 2i5p n VAL 630 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i5p n GLY 631 N 3.85 0.69 1.40 2.92 0.00 -1.26 -4.87 105.19 107.93 2i5p n GLY 631 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2i5p n GLY 631 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i5p n VAL 632 N -2.04 0.02 -2.04 1.61 0.31 0.57 -4.83 118.33 111.92 2i5p n VAL 632 Ca 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2i5p n VAL 632 Cb 0.00 -1.10 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 2i5p n VAL 632 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2i5p n ASN 633 N -2.82 -0.13 0.24 4.52 6.94 -0.78 -4.89 115.26 118.33 2i5p n ASN 633 Ca 0.00 -1.49 0.16 0.00 -0.02 0.00 0.00 54.58 53.23 2i5p n ASN 633 Cb 0.29 0.00 0.78 0.00 -2.36 0.00 0.00 39.78 38.49 2i5p n ASN 633 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2i5p h GLU 634 N 0.08 0.00 0.00 -3.83 9.09 -1.94 -0.36 114.58 117.62 2i5p h GLU 634 Ca -0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.27 2i5p h GLU 634 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2i5p h GLU 634 CO -0.05 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.76 2i5p n ASP 635 N -2.71 0.34 -0.54 3.06 8.00 -1.26 -2.38 116.55 121.06 2i5p n ASP 635 Ca -0.01 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.16 2i5p n ASP 635 Cb 0.16 -0.64 0.42 0.00 -0.02 0.00 0.00 41.12 41.04 2i5p n ASP 635 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2i5p n LYS 636 N -1.85 1.72 -1.92 -1.24 4.76 -0.15 -4.86 118.16 114.63 2i5p n LYS 636 Ca 0.05 -1.08 -0.42 0.00 -2.87 0.00 0.00 58.31 53.99 2i5p n LYS 636 Cb 0.30 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.04 2i5p n LYS 636 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2i5p s TYR 637 N -1.85 1.82 -0.38 2.13 5.04 -1.00 -4.88 117.35 118.23 2i5p s TYR 637 Ca 0.34 0.04 0.05 0.00 -2.44 0.00 0.00 57.07 55.06 2i5p s TYR 637 Cb 0.19 -4.00 0.45 0.00 0.35 0.00 0.00 41.96 38.95 2i5p s TYR 637 CO 0.28 -4.28 1.32 -1.71 -1.34 0.00 0.00 175.55 169.83 2i5p n ASN 638 N 7.18 5.36 -0.01 4.32 5.15 -1.26 -4.92 115.26 131.08 2i5p n ASN 638 Ca 0.18 -3.75 -0.00 0.00 -0.60 0.00 0.00 54.58 50.40 2i5p n ASN 638 Cb 0.42 -0.47 -0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2i5p n ASN 638 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2i5p n GLY 638 N -0.70 0.47 3.72 8.20 0.00 -1.26 -5.02 105.19 110.61 2i5p n GLY 638 Ca 0.46 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 2i5p n GLY 638 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i5p n GLU 641 N -2.86 1.51 0.08 1.61 4.71 -1.26 -4.93 120.64 119.50 2i5p n GLU 641 Ca -0.00 0.56 -0.00 0.00 -0.01 0.00 0.00 57.16 57.70 2i5p n GLU 641 Cb 0.02 -2.49 -0.04 0.00 -1.01 0.00 0.00 31.44 27.92 2i5p n GLU 641 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2i5p h LYS 642 N 1.22 0.00 -4.35 3.49 1.57 -1.93 -3.44 116.57 113.12 2i5p h LYS 642 Ca -0.50 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.68 2i5p h LYS 642 Cb 1.32 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.25 2i5p h LYS 642 CO 0.56 0.52 -0.79 0.42 -0.57 0.00 0.00 179.45 179.58 2i5p s ILE 643 N -2.89 1.45 0.28 1.86 1.01 -1.26 0.25 121.20 121.91 2i5p s ILE 643 Ca 0.01 -1.05 0.10 0.00 0.00 0.00 0.00 60.65 59.71 2i5p s ILE 643 Cb 0.08 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 2i5p s ILE 643 CO 0.78 0.00 -0.14 0.68 0.00 0.00 0.00 174.94 176.26 2i5p s VAL 644 N 1.45 2.14 0.18 2.92 -7.23 0.10 -4.02 120.40 115.94 2i5p s VAL 644 Ca -0.03 -2.28 0.11 0.00 -1.81 0.00 0.00 61.98 57.97 2i5p s VAL 644 Cb -0.18 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2i5p s VAL 644 CO -0.07 -0.38 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.55 2i5p s SER 645 N -3.48 3.46 -0.02 4.85 0.15 -0.37 0.07 113.70 118.36 2i5p s SER 645 Ca 0.29 -0.82 0.13 0.00 0.70 0.00 0.00 55.95 56.25 2i5p s SER 645 Cb -0.01 -0.27 0.40 0.00 -1.71 0.00 0.00 66.02 64.42 2i5p s SER 645 CO 0.13 0.13 1.33 -3.20 1.20 0.00 0.00 173.24 172.84 2i5p n ASN 646 N 0.41 3.26 0.00 5.45 4.05 -0.62 -1.24 115.26 126.56 2i5p n ASN 646 Ca -0.14 -2.11 0.00 0.00 0.45 0.00 0.00 54.58 52.79 2i5p n ASN 646 Cb 0.55 -0.31 0.00 0.00 1.23 0.00 0.00 39.78 41.25 2i5p n ASN 646 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2i5p n ALA 647 N 0.63 0.00 -2.52 5.20 0.00 -1.26 -4.77 120.51 117.80 2i5p n ALA 647 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 2i5p n ALA 647 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 2i5p n ALA 647 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2i5p s SER 648 N -4.00 4.20 0.32 0.00 1.04 -1.26 -2.87 113.70 111.12 2i5p s SER 648 Ca 0.00 -1.10 0.02 0.00 0.48 0.00 0.00 55.95 55.35 2i5p s SER 648 Cb 0.00 -0.49 0.52 0.00 0.10 0.00 0.00 66.02 66.16 2i5p s SER 648 CO 0.00 -0.38 1.88 0.00 0.98 0.00 0.00 173.24 175.71 2i5p h THR 650 N 0.68 1.29 -0.52 0.00 2.02 -1.95 -2.29 112.91 112.14 2i5p h THR 650 Ca 0.15 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 2i5p h THR 650 Cb 0.25 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2i5p h THR 650 CO -0.00 0.24 0.32 0.74 0.37 0.00 0.00 175.52 177.19 2i5p h THR 651 N -0.24 1.15 0.00 3.16 2.02 -1.73 -0.57 112.91 116.70 2i5p h THR 651 Ca 0.01 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2i5p h THR 651 Cb 0.40 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2i5p h THR 651 CO 0.00 0.15 0.00 0.78 0.37 0.00 0.00 175.52 176.83 2i5p h ASN 652 N 0.71 0.00 0.08 4.18 2.35 -0.88 0.14 115.58 122.17 2i5p h ASN 652 Ca 0.19 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.69 2i5p h ASN 652 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2i5p h ASN 652 CO -0.04 0.00 -1.29 0.00 -1.65 0.00 0.00 177.43 174.46 2i5p h LEU 654 N -0.48 -0.14 -0.75 0.00 5.85 -1.11 -3.37 115.31 115.32 2i5p h LEU 654 Ca -0.29 -0.42 0.17 0.00 0.84 0.00 0.00 57.88 58.18 2i5p h LEU 654 Cb 1.62 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.56 2i5p h LEU 654 CO 0.00 0.42 0.03 0.00 -0.34 0.00 0.00 178.44 178.55 2i5p h ALA 655 N -0.06 0.81 -0.56 1.25 0.00 -0.95 0.11 119.26 119.88 2i5p h ALA 655 Ca -0.02 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2i5p h ALA 655 Cb 0.55 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2i5p h ALA 655 CO 0.03 -0.42 0.25 -1.35 0.00 0.00 0.00 179.25 177.76 2i5p h PRO 656 N 0.12 0.79 -0.24 0.00 0.11 -1.76 -0.23 132.00 130.80 2i5p h PRO 656 Ca 0.42 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 2i5p h PRO 656 Cb 0.73 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 2i5p h PRO 656 CO -0.64 0.63 -0.28 0.82 -0.21 0.00 0.00 178.00 178.32 2i5p h ILE 657 N 0.79 1.32 -0.99 4.15 1.08 -1.33 -2.14 117.51 120.39 2i5p h ILE 657 Ca 0.19 -1.46 0.04 0.00 -0.39 0.00 0.00 64.86 63.24 2i5p h ILE 657 Cb 0.12 1.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.52 2i5p h ILE 657 CO -0.02 0.46 0.65 0.00 -0.69 0.00 0.00 178.15 178.54 2i5p h ALA 658 N 0.66 1.36 0.28 1.87 0.00 -0.62 -1.16 119.26 121.65 2i5p h ALA 658 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2i5p h ALA 658 Cb 0.85 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2i5p h ALA 658 CO 0.07 0.54 -0.13 -0.22 0.00 0.00 0.00 179.25 179.51 2i5p h LYS 659 N 1.25 -0.36 -0.50 0.00 1.63 -0.92 0.80 116.57 118.47 2i5p h LYS 659 Ca 0.40 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.27 2i5p h LYS 659 Cb 0.01 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 2i5p h LYS 659 CO -0.12 -0.17 0.24 0.82 -3.45 0.00 0.00 179.45 176.77 2i5p h ILE 660 N -0.48 0.94 -0.29 2.00 2.04 -1.07 0.56 117.51 121.21 2i5p h ILE 660 Ca -0.04 -0.16 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 2i5p h ILE 660 Cb 0.36 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2i5p h ILE 660 CO 0.06 0.09 -0.31 0.40 0.00 0.00 0.00 178.15 178.39 2i5p h ILE 661 N 0.47 1.30 -0.30 -0.67 1.08 -1.16 -2.65 117.51 115.59 2i5p h ILE 661 Ca 0.22 -1.49 -0.10 0.00 -0.39 0.00 0.00 64.86 63.10 2i5p h ILE 661 Cb 0.15 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2i5p h ILE 661 CO -0.17 0.48 -0.25 -1.13 -0.69 0.00 0.00 178.15 176.39 2i5p h ASN 662 N 0.48 0.59 -0.40 1.72 -1.24 -0.59 0.80 115.58 116.94 2i5p h ASN 662 Ca 0.04 -0.21 -0.13 0.00 0.71 0.00 0.00 56.30 56.72 2i5p h ASN 662 Cb 0.89 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 2i5p h ASN 662 CO 0.08 0.83 -0.22 0.44 -1.29 0.00 0.00 177.43 177.26 2i5p h ASP 663 N 0.51 0.92 0.35 1.15 3.32 -0.89 -2.32 116.42 119.46 2i5p h ASP 663 Ca 0.07 -0.34 -0.32 0.00 0.02 0.00 0.00 57.03 56.46 2i5p h ASP 663 Cb 0.71 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 2i5p h ASP 663 CO 0.05 1.10 -1.88 -0.62 -1.72 0.00 0.00 179.24 176.18 2i5p n GLU 664 N -4.11 0.66 0.00 3.56 -0.58 -1.00 -4.69 120.64 114.48 2i5p n GLU 664 Ca 0.00 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2i5p n GLU 664 Cb 0.45 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2i5p n GLU 664 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2i5p n PHE 665 N -3.05 0.00 0.00 -0.32 3.72 0.17 -5.01 117.46 112.97 2i5p n PHE 665 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2i5p n PHE 665 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 2i5p n PHE 665 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2i5p n GLY 666 N 1.71 -1.44 3.23 1.37 0.00 -0.57 -1.42 105.19 108.07 2i5p n GLY 666 Ca 0.00 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 2i5p n GLY 666 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i5p s ILE 667 N -1.67 3.07 0.02 -0.61 1.01 -1.26 -1.66 121.20 120.10 2i5p s ILE 667 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 2i5p s ILE 667 Cb 0.00 -2.54 -0.16 0.00 0.01 0.00 0.00 42.46 39.76 2i5p s ILE 667 CO 0.00 0.21 1.33 -0.08 0.00 0.00 0.00 174.94 176.40 2i5p h GLU 668 N 8.05 0.21 -1.31 2.79 4.81 -0.92 -3.47 114.58 124.75 2i5p h GLU 668 Ca -0.34 -0.11 0.22 0.00 -0.13 0.00 0.00 59.36 59.01 2i5p h GLU 668 Cb 1.12 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.27 2i5p h GLU 668 CO 0.58 0.62 0.82 -1.83 -0.73 0.00 0.00 179.01 178.47 2i5p s GLU 669 N -4.36 0.26 0.03 1.92 -1.05 -1.20 -4.90 118.70 109.40 2i5p s GLU 669 Ca -0.15 -0.01 -0.01 0.00 -0.15 0.00 0.00 54.97 54.65 2i5p s GLU 669 Cb 0.04 0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.83 2i5p s GLU 669 CO 0.72 -0.09 -0.01 0.20 0.95 0.00 0.00 175.26 177.03 2i5p s GLY 670 N -1.49 0.29 -0.12 -3.83 0.00 0.29 -1.02 107.32 101.44 2i5p s GLY 670 Ca 0.07 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.05 2i5p s GLY 670 CO -0.05 -0.85 -0.16 -2.27 0.00 0.00 0.00 173.10 169.77 2i5p s LEU 671 N -1.99 1.78 0.17 0.66 2.96 -0.24 -2.63 118.68 119.39 2i5p s LEU 671 Ca -0.07 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2i5p s LEU 671 Cb -0.03 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 2i5p s LEU 671 CO -0.04 0.01 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.64 2i5p s MET 672 N 1.09 2.27 -0.02 1.98 -2.45 0.35 -0.78 119.30 121.74 2i5p s MET 672 Ca -0.03 -1.16 0.00 0.00 -1.25 0.00 0.00 55.69 53.25 2i5p s MET 672 Cb -0.14 -2.29 0.02 0.00 1.25 0.00 0.00 34.83 33.67 2i5p s MET 672 CO -0.04 0.45 0.01 0.99 1.05 0.00 0.00 175.02 177.48 2i5p s THR 673 N -1.69 0.10 -0.13 10.11 2.01 -0.13 -1.44 115.64 124.48 2i5p s THR 673 Ca 0.26 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.38 2i5p s THR 673 Cb -0.09 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 2i5p s THR 673 CO 0.17 0.11 -0.19 0.28 -0.69 0.00 0.00 174.62 174.31 2i5p s THR 674 N 0.90 2.44 -0.36 -0.82 -1.32 -0.93 0.43 115.64 115.97 2i5p s THR 674 Ca -0.08 -0.87 -0.13 0.00 -1.21 0.00 0.00 61.69 59.40 2i5p s THR 674 Cb -0.12 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 2i5p s THR 674 CO -0.02 0.54 0.25 -0.69 -2.21 0.00 0.00 174.62 172.49 2i5p s VAL 675 N 0.56 5.13 0.22 5.08 1.01 -0.69 -1.43 120.40 130.29 2i5p s VAL 675 Ca -0.11 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2i5p s VAL 675 Cb -0.16 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2i5p s VAL 675 CO 0.04 -0.13 0.17 -1.38 0.00 0.00 0.00 175.10 173.80 2i5p s HIS 676 N 1.68 1.21 -0.10 5.22 -3.43 -0.45 -1.18 115.29 118.23 2i5p s HIS 676 Ca 0.05 -1.39 0.18 0.00 -0.80 0.00 0.00 55.06 53.10 2i5p s HIS 676 Cb -0.18 -0.54 0.42 0.00 -1.43 0.00 0.00 32.58 30.85 2i5p s HIS 676 CO 0.09 -0.70 1.19 -1.13 -2.00 0.00 0.00 174.74 172.20 2i5p n SER 677 N -0.49 1.35 -4.75 7.38 3.41 -1.26 -0.42 113.62 118.84 2i5p n SER 677 Ca 0.03 -2.94 -0.41 0.00 -0.26 0.00 0.00 58.87 55.29 2i5p n SER 677 Cb 0.65 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 2i5p n SER 677 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2i5p s ILE 678 N -1.61 2.57 -0.56 -1.33 1.01 -1.26 -4.90 121.20 115.13 2i5p s ILE 678 Ca 0.35 0.50 -0.28 0.00 0.00 0.00 0.00 60.65 61.22 2i5p s ILE 678 Cb 0.37 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 39.42 2i5p s ILE 678 CO -0.12 0.09 2.44 0.41 0.00 0.00 0.00 174.94 177.76 2i5p n THR 679 N 2.00 -0.01 -3.96 2.92 -1.04 -1.26 -5.09 114.28 107.84 2i5p n THR 679 Ca 0.06 -0.55 -0.15 0.00 -2.04 0.00 0.00 64.05 61.37 2i5p n THR 679 Cb 0.40 -2.18 -0.15 0.00 -1.82 0.00 0.00 70.33 66.58 2i5p n THR 679 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2i5p s SER 700 N 10.75 0.31 0.00 8.00 1.04 -1.26 -5.26 113.70 127.27 2i5p s SER 700 Ca 1.07 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2i5p s SER 700 Cb -0.49 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.54 2i5p s SER 700 CO 0.34 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2i5p n GLY 701 N 3.46 0.69 3.41 7.32 0.00 -1.26 -5.01 105.19 113.80 2i5p n GLY 701 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2i5p n GLY 701 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i5p s ASN 702 N -2.51 3.39 -0.22 1.61 0.01 -1.26 -5.08 114.94 110.88 2i5p s ASN 702 Ca 0.00 -0.83 -0.05 0.00 -0.71 0.00 0.00 52.86 51.27 2i5p s ASN 702 Cb 0.00 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.40 2i5p s ASN 702 CO 0.00 0.14 0.01 -0.63 -1.51 0.00 0.00 177.10 175.11 2i5p s ILE 703 N -1.48 3.93 -0.18 0.60 1.01 -1.26 -4.23 121.20 119.59 2i5p s ILE 703 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2i5p s ILE 703 Cb -0.09 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.62 2i5p s ILE 703 CO 0.09 0.40 -0.09 -0.63 0.00 0.00 0.00 174.94 174.70 2i5p s ILE 704 N 1.28 1.45 0.51 2.92 1.01 -0.27 -4.92 121.20 123.19 2i5p s ILE 704 Ca 0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 2i5p s ILE 704 Cb -0.15 -1.52 -0.08 0.00 0.01 0.00 0.00 42.46 40.72 2i5p s ILE 704 CO 0.01 0.22 0.99 -2.16 0.00 0.00 0.00 174.94 173.99 2i5p s PRO 705 N 1.49 3.95 0.24 2.79 0.04 -1.26 0.45 135.00 142.70 2i5p s PRO 705 Ca 0.01 0.97 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 2i5p s PRO 705 Cb -0.15 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.29 2i5p s PRO 705 CO -0.08 -0.27 0.81 -1.54 0.04 0.00 0.00 177.00 175.95 2i5p s SER 706 N -3.01 -0.22 0.68 6.66 1.04 -0.18 -4.92 113.70 113.75 2i5p s SER 706 Ca 0.59 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 2i5p s SER 706 Cb -0.10 0.65 0.08 0.00 0.10 0.00 0.00 66.02 66.75 2i5p s SER 706 CO 0.30 -1.21 0.96 -0.94 0.98 0.00 0.00 173.24 173.34 2i5p s SER 707 N -2.94 4.72 -0.13 7.02 1.04 -1.26 -0.96 113.70 121.18 2i5p s SER 707 Ca 0.12 0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.43 2i5p s SER 707 Cb -0.04 -0.74 0.06 0.00 0.10 0.00 0.00 66.02 65.40 2i5p s SER 707 CO 0.06 -1.61 0.60 0.28 0.98 0.00 0.00 173.24 173.55 2i5p s THR 708 N -3.13 0.01 -2.76 2.02 -1.32 -1.26 -4.61 115.64 104.59 2i5p s THR 708 Ca 0.62 -0.07 0.23 0.00 -1.21 0.00 0.00 61.69 61.26 2i5p s THR 708 Cb -0.09 -0.88 0.16 0.00 -1.51 0.00 0.00 72.50 70.18 2i5p s THR 708 CO 0.43 -0.04 1.20 0.61 -2.21 0.00 0.00 174.62 174.62 2i5p n GLY 709 N 1.83 0.79 0.37 6.08 0.00 -1.26 -4.52 105.19 108.48 2i5p n GLY 709 Ca -0.17 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.29 2i5p n GLY 709 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i5p h ALA 710 N 4.40 1.77 -0.03 4.61 0.00 -1.96 0.08 119.26 128.13 2i5p h ALA 710 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2i5p h ALA 710 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2i5p h ALA 710 CO 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 179.25 179.03 2i5p h ALA 711 N 1.59 0.08 -0.83 0.00 0.00 -1.90 -3.24 119.26 114.96 2i5p h ALA 711 Ca 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i5p h ALA 711 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2i5p h ALA 711 CO -0.16 0.10 0.53 0.87 0.00 0.00 0.00 179.25 180.59 2i5p h LYS 712 N -0.34 1.10 -0.53 0.00 1.57 -1.49 -2.42 116.57 114.46 2i5p h LYS 712 Ca -0.02 -0.08 0.15 0.00 -1.87 0.00 0.00 60.65 58.83 2i5p h LYS 712 Cb 0.94 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2i5p h LYS 712 CO 0.05 0.75 0.42 0.00 -0.57 0.00 0.00 179.45 180.10 2i5p h ALA 713 N 1.45 2.41 -0.51 3.86 0.00 -1.01 0.17 119.26 125.64 2i5p h ALA 713 Ca 0.30 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.30 2i5p h ALA 713 Cb -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2i5p h ALA 713 CO -0.06 -0.69 0.35 0.28 0.00 0.00 0.00 179.25 179.12 2i5p h VAL 714 N 0.00 0.86 0.00 0.00 2.07 -1.50 0.44 116.25 118.12 2i5p h VAL 714 Ca 0.25 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2i5p h VAL 714 Cb 1.09 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2i5p h VAL 714 CO -0.00 0.04 0.00 1.23 0.02 0.00 0.00 177.57 178.86 2i5p h GLY 715 N 0.24 0.00 1.39 2.17 0.00 -0.83 0.19 103.07 106.23 2i5p h GLY 715 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.28 2i5p h GLY 715 CO -0.05 0.00 -1.42 0.50 0.00 0.00 0.00 176.54 175.57 2i5p h LYS 716 N 0.00 0.21 0.00 4.80 1.79 -0.24 -3.21 116.57 119.92 2i5p h LYS 716 Ca 0.00 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 2i5p h LYS 716 Cb 0.28 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2i5p h LYS 716 CO 0.00 1.08 -1.11 1.33 -1.08 0.00 0.00 179.45 179.67 2i5p n VAL 717 N -3.43 0.30 -3.59 0.50 0.24 -0.87 -4.51 118.33 106.96 2i5p n VAL 717 Ca -0.13 -0.37 -0.28 0.00 -2.04 0.00 0.00 64.34 61.52 2i5p n VAL 717 Cb 1.03 -0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 33.27 2i5p n VAL 717 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2i5p s LEU 718 N -4.46 2.60 0.39 1.34 1.43 0.60 -4.64 118.68 115.95 2i5p s LEU 718 Ca 0.01 -3.23 0.20 0.00 -1.03 0.00 0.00 54.13 50.08 2i5p s LEU 718 Cb 0.13 -0.87 1.17 0.00 0.03 0.00 0.00 46.19 46.64 2i5p s LEU 718 CO 0.80 -0.16 1.71 -0.65 0.23 0.00 0.00 176.35 178.28 2i5p h PRO 719 N 5.74 0.31 0.00 1.29 0.11 -1.78 0.22 132.00 137.87 2i5p h PRO 719 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2i5p h PRO 719 Cb 0.86 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2i5p h PRO 719 CO 0.49 0.20 0.00 1.05 -0.21 0.00 0.00 178.00 179.53 2i5p h GLU 720 N 0.31 0.00 -0.28 1.05 9.09 -1.94 -1.49 114.58 121.33 2i5p h GLU 720 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 2i5p h GLU 720 Cb 1.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.90 2i5p h GLU 720 CO -0.41 0.00 0.00 1.28 0.05 0.00 0.00 179.01 179.93 2i5p n LEU 721 N -2.30 2.79 -4.59 3.06 4.77 0.76 -4.96 117.00 116.53 2i5p n LEU 721 Ca -0.01 -1.60 -0.52 0.00 -0.03 0.00 0.00 56.01 53.86 2i5p n LEU 721 Cb 0.09 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 2i5p n LEU 721 CO 0.13 0.64 0.86 1.67 -1.33 0.00 0.00 177.39 179.36 2i5p n GLN 722 N 0.81 1.12 -0.90 3.23 -0.06 -0.56 0.01 117.38 121.02 2i5p n GLN 722 Ca 0.12 0.40 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 2i5p n GLN 722 Cb 0.43 -2.02 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 2i5p n GLN 722 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2i5p n GLY 723 N 2.41 0.31 0.68 1.69 0.00 -1.26 -4.85 105.19 104.16 2i5p n GLY 723 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 2i5p n GLY 723 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i5p n LYS 724 N -1.24 1.57 -3.81 1.61 5.02 0.10 -4.98 118.16 116.44 2i5p n LYS 724 Ca 0.00 -1.63 -0.12 0.00 -2.02 0.00 0.00 58.31 54.53 2i5p n LYS 724 Cb 0.18 -1.31 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 2i5p n LYS 724 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2i5p s LEU 725 N -1.20 1.24 0.28 -0.35 1.43 -1.25 -0.55 118.68 118.29 2i5p s LEU 725 Ca 0.21 0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 53.47 2i5p s LEU 725 Cb 0.14 0.71 0.06 0.00 0.03 0.00 0.00 46.19 47.13 2i5p s LEU 725 CO 0.20 -0.11 0.89 0.28 0.23 0.00 0.00 176.35 177.84 2i5p s THR 726 N -0.06 0.00 -0.40 5.49 -1.32 -1.08 -3.43 115.64 114.85 2i5p s THR 726 Ca -0.02 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 2i5p s THR 726 Cb -0.02 -2.71 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2i5p s THR 726 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2i5p n GLY 727 N -0.58 -0.56 1.51 6.08 0.00 -1.26 -0.50 105.19 109.89 2i5p n GLY 727 Ca -0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 2i5p n GLY 727 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2i5p n MET 728 N 0.00 0.34 -4.05 1.61 0.00 -0.52 -4.32 117.12 110.19 2i5p n MET 728 Ca 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 57.70 56.43 2i5p n MET 728 Cb 0.00 1.19 -0.10 0.00 0.00 0.00 0.00 33.22 34.31 2i5p n MET 728 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2i5p s ALA 729 N -2.00 0.35 -0.15 3.17 0.00 -0.13 -2.19 121.76 120.80 2i5p s ALA 729 Ca 0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 2i5p s ALA 729 Cb -0.01 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.37 2i5p s ALA 729 CO 0.09 -0.28 -0.05 -0.06 0.00 0.00 0.00 175.76 175.45 2i5p s PHE 730 N -2.92 1.62 -0.05 0.00 0.08 -0.51 -1.01 117.98 115.18 2i5p s PHE 730 Ca -0.02 -0.99 -0.20 0.00 0.12 0.00 0.00 56.93 55.83 2i5p s PHE 730 Cb 0.01 -1.28 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2i5p s PHE 730 CO -0.06 -0.59 0.58 0.50 -0.10 0.00 0.00 175.22 175.54 2i5p s ARG 731 N 1.66 4.34 0.09 0.44 3.52 0.17 -1.35 118.95 127.82 2i5p s ARG 731 Ca 0.02 0.67 0.05 0.00 -0.13 0.00 0.00 55.73 56.34 2i5p s ARG 731 Cb -0.15 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 2i5p s ARG 731 CO -0.08 0.24 -0.14 0.14 -0.81 0.00 0.00 175.30 174.66 2i5p s VAL 732 N 0.28 1.14 -1.38 7.11 -7.23 0.44 -1.11 120.40 119.65 2i5p s VAL 732 Ca 0.31 -1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 2i5p s VAL 732 Cb -0.17 -1.21 0.09 0.00 0.56 0.00 0.00 36.38 35.65 2i5p s VAL 732 CO 0.15 -0.31 2.04 -0.81 -0.31 0.00 0.00 175.10 175.86 2i5p n PRO 733 N 1.03 3.17 -3.79 4.82 -0.04 -1.26 -4.16 135.00 134.76 2i5p n PRO 733 Ca -0.19 -3.02 -0.22 0.00 -0.04 0.00 0.00 63.50 60.03 2i5p n PRO 733 Cb 0.55 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.80 2i5p n PRO 733 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2i5p n THR 734 N 4.56 0.00 -0.62 0.52 -2.24 -1.26 -4.96 114.28 110.28 2i5p n THR 734 Ca 0.47 -1.62 -0.29 0.00 -2.27 0.00 0.00 64.05 60.33 2i5p n THR 734 Cb 0.39 0.35 0.26 0.00 -2.10 0.00 0.00 70.33 69.22 2i5p n THR 734 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2i5p s THR 735 N -2.28 1.70 0.00 4.28 -4.23 -1.26 -4.81 115.64 109.04 2i5p s THR 735 Ca 0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2i5p s THR 735 Cb 0.00 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 2i5p s THR 735 CO 0.01 0.00 1.05 0.47 -0.54 0.00 0.00 174.62 175.61 2i5p n ASP 736 N -5.08 2.64 -3.98 3.99 8.00 -1.26 -4.71 116.55 116.15 2i5p n ASP 736 Ca 0.07 -1.71 -0.24 0.00 0.71 0.00 0.00 54.79 53.62 2i5p n ASP 736 Cb 0.57 -0.57 -0.17 0.00 -0.02 0.00 0.00 41.12 40.94 2i5p n ASP 736 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2i5p s VAL 737 N 1.08 0.97 0.51 2.53 1.01 -1.26 -0.88 120.40 124.36 2i5p s VAL 737 Ca 0.02 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2i5p s VAL 737 Cb 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2i5p s VAL 737 CO 0.00 0.32 0.17 -0.44 0.00 0.00 0.00 175.10 175.15 2i5p s SER 738 N 0.81 4.34 0.02 3.32 0.01 0.25 -4.64 113.70 117.81 2i5p s SER 738 Ca -0.12 -1.45 -0.02 0.00 1.31 0.00 0.00 55.95 55.67 2i5p s SER 738 Cb -0.15 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 2i5p s SER 738 CO 0.02 -0.92 0.02 0.54 0.41 0.00 0.00 173.24 173.31 2i5p s VAL 739 N -2.81 0.11 -0.13 3.43 0.11 -0.32 -1.04 120.40 119.75 2i5p s VAL 739 Ca 0.20 -0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 58.31 2i5p s VAL 739 Cb 0.00 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2i5p s VAL 739 CO 0.12 -0.50 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.65 2i5p s VAL 740 N -1.64 3.89 -0.40 2.04 1.01 0.11 -1.70 120.40 123.71 2i5p s VAL 740 Ca -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2i5p s VAL 740 Cb -0.08 -2.67 0.11 0.00 0.00 0.00 0.00 36.38 33.74 2i5p s VAL 740 CO -0.01 0.53 0.14 -0.62 0.00 0.00 0.00 175.10 175.14 2i5p s ASP 741 N -0.02 4.83 -0.27 3.32 -1.08 0.17 -1.80 116.67 121.82 2i5p s ASP 741 Ca 0.01 -2.32 -0.08 0.00 -0.52 0.00 0.00 52.55 49.64 2i5p s ASP 741 Cb -0.13 -1.69 -0.02 0.00 -1.46 0.00 0.00 42.92 39.62 2i5p s ASP 741 CO 0.03 -0.39 0.11 -0.22 0.52 0.00 0.00 175.17 175.21 2i5p s LEU 742 N 0.70 3.73 -0.41 -1.34 2.96 -0.06 -0.95 118.68 123.31 2i5p s LEU 742 Ca 0.12 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.60 2i5p s LEU 742 Cb -0.21 -1.96 0.06 0.00 0.50 0.00 0.00 46.19 44.58 2i5p s LEU 742 CO -0.06 -0.10 0.25 -0.89 -1.32 0.00 0.00 176.35 174.23 2i5p s THR 743 N 1.62 4.36 0.13 3.68 2.01 0.04 0.14 115.64 127.62 2i5p s THR 743 Ca 0.06 -1.23 0.08 0.00 0.31 0.00 0.00 61.69 60.91 2i5p s THR 743 Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2i5p s THR 743 CO 0.05 -0.43 -0.12 0.68 -0.69 0.00 0.00 174.62 174.11 2i5p s VAL 744 N 1.47 3.17 -0.30 3.82 -7.23 -0.44 -1.07 120.40 119.82 2i5p s VAL 744 Ca 0.02 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 2i5p s VAL 744 Cb -0.22 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2i5p s VAL 744 CO 0.04 0.04 0.16 -0.54 -0.31 0.00 0.00 175.10 174.48 2i5p s LYS 745 N -2.40 3.52 0.52 4.82 1.02 -0.19 -2.40 119.74 124.63 2i5p s LYS 745 Ca 0.22 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.49 2i5p s LYS 745 Cb -0.10 -3.57 -0.06 0.00 -0.52 0.00 0.00 37.83 33.58 2i5p s LYS 745 CO 0.13 -0.34 0.93 -0.51 -0.92 0.00 0.00 175.35 174.64 2i5p s LEU 746 N 1.65 3.55 -0.16 3.17 1.02 0.24 -0.31 118.68 127.85 2i5p s LEU 746 Ca 0.06 1.35 -0.21 0.00 0.02 0.00 0.00 54.13 55.34 2i5p s LEU 746 Cb -0.17 -4.31 -0.19 0.00 0.02 0.00 0.00 46.19 41.55 2i5p s LEU 746 CO 0.07 -0.63 0.39 0.58 0.02 0.00 0.00 176.35 176.78 2i5p h VAL 747 N 0.51 1.10 -2.99 -1.59 2.07 -1.28 -3.42 116.25 110.65 2i5p h VAL 747 Ca -0.46 -2.02 -0.66 0.00 0.82 0.00 0.00 66.70 64.38 2i5p h VAL 747 Cb 1.19 2.28 -0.09 0.00 -1.52 0.00 0.00 31.29 33.14 2i5p h VAL 747 CO 0.62 0.37 -0.55 -0.54 0.02 0.00 0.00 177.57 177.50 2i5p s LYS 748 N -2.21 3.19 0.53 1.57 1.02 -0.51 -5.05 119.74 118.28 2i5p s LYS 748 Ca -0.21 -0.37 -0.22 0.00 0.02 0.00 0.00 55.97 55.19 2i5p s LYS 748 Cb 0.01 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2i5p s LYS 748 CO 0.54 0.69 1.36 0.00 -0.92 0.00 0.00 175.35 177.01 2i5p s ALA 749 N -1.14 2.89 0.04 5.17 0.00 -1.26 -4.80 121.76 122.67 2i5p s ALA 749 Ca 0.21 1.33 -0.20 0.00 0.00 0.00 0.00 51.96 53.30 2i5p s ALA 749 Cb -0.12 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.48 2i5p s ALA 749 CO 0.11 -1.31 0.46 0.00 0.00 0.00 0.00 175.76 175.02 2i5p s ALA 750 N -1.30 -1.16 0.40 0.00 0.00 -0.28 -5.01 121.76 114.42 2i5p s ALA 750 Ca 0.69 0.45 0.04 0.00 0.00 0.00 0.00 51.96 53.15 2i5p s ALA 750 Cb -0.40 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 2i5p s ALA 750 CO 0.48 -0.48 0.57 0.95 0.00 0.00 0.00 175.76 177.29 2i5p s THR 751 N -2.44 3.84 0.31 0.00 -4.23 -1.26 -4.46 115.64 107.39 2i5p s THR 751 Ca -0.05 -0.79 0.14 0.00 -1.18 0.00 0.00 61.69 59.80 2i5p s THR 751 Cb -0.01 -3.36 0.07 0.00 1.34 0.00 0.00 72.50 70.54 2i5p s THR 751 CO -0.02 -0.19 1.76 0.22 -0.54 0.00 0.00 174.62 175.85 2i5p h TYR 752 N 0.63 0.00 -0.44 3.99 3.20 -1.98 -2.64 116.97 119.73 2i5p h TYR 752 Ca -0.45 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.28 2i5p h TYR 752 Cb 1.26 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2i5p h TYR 752 CO 0.43 0.44 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.69 2i5p h ASP 753 N 0.00 0.96 -0.61 -2.11 3.32 -1.99 -0.22 116.42 115.77 2i5p h ASP 753 Ca -0.00 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 2i5p h ASP 753 Cb 0.81 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2i5p h ASP 753 CO 0.06 1.15 0.07 -0.33 -1.72 0.00 0.00 179.24 178.47 2i5p h GLU 754 N 0.79 1.05 -0.26 3.56 5.08 -1.91 0.15 114.58 123.04 2i5p h GLU 754 Ca 0.10 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2i5p h GLU 754 Cb 0.82 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2i5p h GLU 754 CO 0.07 0.98 0.03 0.82 -1.00 0.00 0.00 179.01 179.91 2i5p h ILE 755 N 0.97 1.24 -0.02 3.13 2.04 -1.26 -0.97 117.51 122.64 2i5p h ILE 755 Ca 0.19 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.22 2i5p h ILE 755 Cb 0.46 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2i5p h ILE 755 CO 0.02 0.26 -0.01 0.11 0.00 0.00 0.00 178.15 178.53 2i5p h LYS 756 N 0.24 -0.01 -0.97 2.37 1.57 -0.82 -2.34 116.57 116.62 2i5p h LYS 756 Ca 0.08 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 2i5p h LYS 756 Cb 0.36 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 2i5p h LYS 756 CO 0.01 -0.00 0.61 0.00 -0.57 0.00 0.00 179.45 179.49 2i5p h ALA 757 N 1.02 1.43 -0.52 3.86 0.00 -0.84 0.11 119.26 124.32 2i5p h ALA 757 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2i5p h ALA 757 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2i5p h ALA 757 CO -0.03 0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.74 2i5p h ALA 758 N 1.50 0.66 0.20 0.00 0.00 -0.75 -1.05 119.26 119.83 2i5p h ALA 758 Ca 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2i5p h ALA 758 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2i5p h ALA 758 CO -0.24 0.21 -0.10 0.28 0.00 0.00 0.00 179.25 179.40 2i5p h VAL 759 N 0.69 0.88 -0.91 0.00 2.07 -0.85 -3.15 116.25 114.98 2i5p h VAL 759 Ca 0.18 -0.83 0.20 0.00 0.82 0.00 0.00 66.70 67.08 2i5p h VAL 759 Cb 0.09 1.34 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 2i5p h VAL 759 CO -0.03 0.17 0.46 0.50 0.02 0.00 0.00 177.57 178.70 2i5p h LYS 760 N -0.71 0.51 0.23 1.57 3.64 -0.76 -1.04 116.57 120.01 2i5p h LYS 760 Ca -0.03 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2i5p h LYS 760 Cb 0.49 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2i5p h LYS 760 CO 0.04 0.34 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.08 2i5p h LYS 761 N 0.52 -0.51 -0.35 1.90 3.64 -1.20 -1.97 116.57 118.60 2i5p h LYS 761 Ca 0.55 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 60.01 2i5p h LYS 761 Cb 0.98 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2i5p h LYS 761 CO -0.46 -0.34 0.24 0.28 -2.27 0.00 0.00 179.45 176.89 2i5p h VAL 762 N -0.53 0.99 0.00 2.00 2.07 -1.21 -1.30 116.25 118.27 2i5p h VAL 762 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2i5p h VAL 762 Cb 0.50 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2i5p h VAL 762 CO -0.07 0.06 0.00 -1.54 0.02 0.00 0.00 177.57 176.03 2i5p n SER 763 N -4.48 0.44 -0.00 0.57 3.41 -0.51 -2.79 113.62 110.26 2i5p n SER 763 Ca 0.04 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.31 2i5p n SER 763 Cb 0.20 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.35 2i5p n SER 763 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i5p n GLU 764 N -1.95 0.74 0.00 4.33 1.02 -0.53 -4.26 120.64 119.99 2i5p n GLU 764 Ca 0.04 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2i5p n GLU 764 Cb 0.30 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2i5p n GLU 764 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2i5p n GLY 765 N 1.43 1.35 0.27 0.62 0.00 -0.96 -4.81 105.19 103.09 2i5p n GLY 765 Ca 0.01 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.47 2i5p n GLY 765 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i5p h LYS 766 N 0.00 0.33 -0.91 1.61 1.57 -1.91 -1.80 116.57 115.46 2i5p h LYS 766 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2i5p h LYS 766 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2i5p h LYS 766 CO 0.00 0.35 0.01 1.28 -0.57 0.00 0.00 179.45 180.52 2i5p n LEU 767 N -4.36 2.18 -0.34 2.94 4.77 -1.25 -4.47 117.00 116.47 2i5p n LEU 767 Ca 0.00 -1.10 0.16 0.00 -0.03 0.00 0.00 56.01 55.04 2i5p n LEU 767 Cb 0.19 -0.54 0.31 0.00 -2.33 0.00 0.00 43.42 41.04 2i5p n LEU 767 CO 0.37 0.35 0.83 0.50 -1.33 0.00 0.00 177.39 178.11 2i5p h LYS 768 N 0.86 0.02 -0.01 3.23 3.64 -1.46 0.95 116.57 123.80 2i5p h LYS 768 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2i5p h LYS 768 Cb 0.87 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2i5p h LYS 768 CO 0.12 0.01 -0.35 -0.25 -2.27 0.00 0.00 179.45 176.72 2i5p n ASP 769 N -5.46 1.09 -0.13 4.20 8.00 -1.26 -4.36 116.55 118.62 2i5p n ASP 769 Ca 0.24 -0.89 -0.27 0.00 0.71 0.00 0.00 54.79 54.58 2i5p n ASP 769 Cb 0.79 0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 42.01 2i5p n ASP 769 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2i5p n VAL 770 N -0.71 1.52 -3.56 2.53 0.31 0.14 -3.87 118.33 114.69 2i5p n VAL 770 Ca 0.11 -0.42 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 2i5p n VAL 770 Cb 0.36 -1.77 -0.11 0.00 -0.91 0.00 0.00 33.84 31.41 2i5p n VAL 770 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2i5p s VAL 771 N -2.51 4.78 0.43 2.52 1.01 -0.10 0.59 120.40 127.12 2i5p s VAL 771 Ca -0.37 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 2i5p s VAL 771 Cb 0.13 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2i5p s VAL 771 CO 0.53 -0.27 0.68 -0.83 0.00 0.00 0.00 175.10 175.21 2i5p s GLY 772 N 1.59 1.45 -0.14 4.51 0.00 0.30 -4.32 107.32 110.71 2i5p s GLY 772 Ca 0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.86 2i5p s GLY 772 CO 0.08 -0.64 0.36 -0.47 0.00 0.00 0.00 173.10 172.42 2i5p s TYR 773 N -2.56 -0.42 0.11 1.90 6.14 -1.26 -0.23 117.35 121.02 2i5p s TYR 773 Ca 0.45 1.00 -0.12 0.00 0.64 0.00 0.00 57.07 59.04 2i5p s TYR 773 Cb -0.10 0.15 0.01 0.00 0.42 0.00 0.00 41.96 42.44 2i5p s TYR 773 CO 0.40 -0.21 0.28 -0.08 0.64 0.00 0.00 175.55 176.58 2i5p s THR 774 N 0.43 0.11 -0.01 4.34 -1.32 -0.56 -4.92 115.64 113.71 2i5p s THR 774 Ca -0.02 -0.93 0.01 0.00 -1.21 0.00 0.00 61.69 59.54 2i5p s THR 774 Cb -0.04 -1.28 0.02 0.00 -1.51 0.00 0.00 72.50 69.69 2i5p s THR 774 CO -0.02 -0.50 0.76 -0.62 -2.21 0.00 0.00 174.62 172.03 2i5p n GLU 775 N -0.13 1.07 -2.43 7.08 1.02 -1.26 -1.90 120.64 124.09 2i5p n GLU 775 Ca -0.15 -1.02 -0.24 0.00 -0.02 0.00 0.00 57.16 55.74 2i5p n GLU 775 Cb 0.63 -0.73 0.06 0.00 -0.02 0.00 0.00 31.44 31.38 2i5p n GLU 775 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2i5p s ASP 776 N -0.62 4.94 -0.45 1.62 1.01 -1.26 -4.62 116.67 117.29 2i5p s ASP 776 Ca 0.02 0.16 -0.22 0.00 0.71 0.00 0.00 52.55 53.23 2i5p s ASP 776 Cb 0.02 -0.88 0.03 0.00 1.01 0.00 0.00 42.92 43.10 2i5p s ASP 776 CO 0.00 -1.45 0.71 0.00 0.21 0.00 0.00 175.17 174.64 2i5p s ALA 777 N -3.03 3.32 0.42 5.23 0.00 -1.26 -4.69 121.76 121.74 2i5p s ALA 777 Ca 0.60 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2i5p s ALA 777 Cb -0.10 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2i5p s ALA 777 CO 0.42 -1.88 0.18 0.14 0.00 0.00 0.00 175.76 174.62 2i5p s VAL 778 N 3.02 2.28 0.06 0.00 -7.23 -1.26 -5.14 120.40 112.13 2i5p s VAL 778 Ca 0.25 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.79 2i5p s VAL 778 Cb -0.14 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 2i5p s VAL 778 CO 0.20 0.00 -0.20 0.68 -0.31 0.00 0.00 175.10 175.47 2i5p s VAL 779 N -2.61 1.59 0.26 1.32 -7.23 -1.26 -5.06 120.40 107.42 2i5p s VAL 779 Ca 0.41 -1.25 -0.05 0.00 -1.81 0.00 0.00 61.98 59.28 2i5p s VAL 779 Cb 0.04 -1.41 0.30 0.00 0.56 0.00 0.00 36.38 35.87 2i5p s VAL 779 CO 0.22 0.11 1.63 0.77 -0.31 0.00 0.00 175.10 177.52 2i5p h SER 780 N 4.69 -0.34 -0.11 4.85 4.64 -1.98 0.01 113.55 125.31 2i5p h SER 780 Ca -0.43 0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2i5p h SER 780 Cb 1.17 0.36 -0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2i5p h SER 780 CO 0.43 -0.20 0.21 0.28 -0.87 0.00 0.00 176.83 176.68 2i5p h SER 781 N 0.10 0.00 -0.12 4.97 0.02 -1.95 -1.49 113.55 115.08 2i5p h SER 781 Ca 0.45 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.43 2i5p h SER 781 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2i5p h SER 781 CO -0.70 0.00 0.21 0.44 -1.14 0.00 0.00 176.83 175.64 2i5p h ASP 782 N 0.00 0.00 -0.61 3.07 3.32 -1.40 -1.54 116.42 119.25 2i5p h ASP 782 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2i5p h ASP 782 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2i5p h ASP 782 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 2i5p n PHE 783 N -3.43 1.03 -1.69 4.55 3.72 -0.56 -4.94 117.46 116.15 2i5p n PHE 783 Ca 0.00 -0.55 -0.44 0.00 -0.05 0.00 0.00 57.45 56.41 2i5p n PHE 783 Cb 0.31 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 2i5p n PHE 783 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2i5p n LEU 784 N 1.17 3.72 0.00 4.37 4.77 -0.58 -0.81 117.00 129.64 2i5p n LEU 784 Ca 0.22 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 2i5p n LEU 784 Cb 0.68 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2i5p n LEU 784 CO 0.17 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2i5p n GLY 785 N 4.04 0.90 3.76 -0.72 0.00 -1.26 -5.00 105.19 106.90 2i5p n GLY 785 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2i5p n GLY 785 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i5p s ASP 786 N -2.83 6.67 0.00 1.61 -1.08 0.01 -4.88 116.67 116.16 2i5p s ASP 786 Ca 0.00 2.71 0.26 0.00 -0.52 0.00 0.00 52.55 55.01 2i5p s ASP 786 Cb 0.00 -2.64 0.72 0.00 -1.46 0.00 0.00 42.92 39.54 2i5p s ASP 786 CO 0.00 -0.66 1.55 0.35 0.52 0.00 0.00 175.17 176.93 2i5p n THR 787 N 1.60 0.00 -1.48 1.71 -2.24 -1.26 -2.92 114.28 109.68 2i5p n THR 787 Ca 0.04 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 2i5p n THR 787 Cb 0.41 0.71 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 2i5p n THR 787 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2i5p s HIS 788 N -2.19 2.66 0.06 4.78 3.76 -1.25 -4.21 115.29 118.91 2i5p s HIS 788 Ca 0.31 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.84 2i5p s HIS 788 Cb 0.20 -3.07 -0.17 0.00 1.11 0.00 0.00 32.58 30.66 2i5p s HIS 788 CO 0.40 -1.68 1.25 0.77 -0.85 0.00 0.00 174.74 174.64 2i5p h SER 789 N -0.65 0.00 -4.02 1.40 0.02 -0.05 -3.35 113.55 106.89 2i5p h SER 789 Ca -0.45 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 2i5p h SER 789 Cb 1.23 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.55 2i5p h SER 789 CO 0.53 0.92 -0.10 0.28 -1.14 0.00 0.00 176.83 177.31 2i5p s THR 790 N -2.74 0.00 -0.29 -2.27 -1.32 -1.09 -3.65 115.64 104.29 2i5p s THR 790 Ca 0.01 -0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.49 2i5p s THR 790 Cb 0.09 -0.73 0.08 0.00 -1.51 0.00 0.00 72.50 70.43 2i5p s THR 790 CO 0.81 -0.01 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.55 2i5p s ILE 791 N 0.13 1.98 0.16 5.08 1.09 -0.32 0.11 121.20 129.43 2i5p s ILE 791 Ca -0.01 -1.79 -0.31 0.00 -1.10 0.00 0.00 60.65 57.44 2i5p s ILE 791 Cb -0.04 -2.28 -0.10 0.00 -1.06 0.00 0.00 42.46 38.98 2i5p s ILE 791 CO 0.01 -0.30 1.62 0.12 -0.10 0.00 0.00 174.94 176.29 2i5p s PHE 792 N 1.13 2.91 -0.50 3.97 5.36 0.68 -1.25 117.98 130.27 2i5p s PHE 792 Ca 0.00 0.51 -0.09 0.00 -0.96 0.00 0.00 56.93 56.40 2i5p s PHE 792 Cb -0.19 -3.98 0.13 0.00 -0.34 0.00 0.00 43.02 38.64 2i5p s PHE 792 CO -0.08 -3.70 0.37 0.34 -1.46 0.00 0.00 175.22 170.70 2i5p s ASP 793 N 1.38 5.70 0.15 6.13 -1.08 0.24 -1.50 116.67 127.70 2i5p s ASP 793 Ca 0.72 -2.05 -0.16 0.00 -0.52 0.00 0.00 52.55 50.54 2i5p s ASP 793 Cb -0.44 -2.00 0.02 0.00 -1.46 0.00 0.00 42.92 39.03 2i5p s ASP 793 CO 0.32 -0.65 1.80 0.00 0.52 0.00 0.00 175.17 177.16 2i5p h ALA 794 N 8.26 0.53 -0.33 3.66 0.00 -1.66 -3.13 119.26 126.60 2i5p h ALA 794 Ca -0.17 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2i5p h ALA 794 Cb 1.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2i5p h ALA 794 CO 0.83 -0.01 -0.35 0.00 0.00 0.00 0.00 179.25 179.72 2i5p h ALA 795 N 1.14 0.76 -0.20 0.00 0.00 -1.82 -3.21 119.26 115.93 2i5p h ALA 795 Ca 0.15 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2i5p h ALA 795 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2i5p h ALA 795 CO -0.03 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.72 2i5p h ALA 796 N 0.98 1.37 -2.42 0.00 0.00 -1.88 -3.45 119.26 113.87 2i5p h ALA 796 Ca 0.06 -0.25 -0.46 0.00 0.00 0.00 0.00 54.91 54.26 2i5p h ALA 796 Cb 0.89 -0.10 0.14 0.00 0.00 0.00 0.00 17.79 18.72 2i5p h ALA 796 CO 0.08 0.43 0.26 0.20 0.00 0.00 0.00 179.25 180.22 2i5p s GLY 797 N -4.03 1.58 -0.25 0.00 0.00 -1.19 -4.87 107.32 98.57 2i5p s GLY 797 Ca -0.06 -0.38 -0.24 0.00 0.00 0.00 0.00 44.72 44.04 2i5p s GLY 797 CO 0.75 0.18 0.68 -1.50 0.00 0.00 0.00 173.10 173.21 2i5p s ILE 798 N -3.11 0.00 -0.12 0.90 2.07 -0.55 -5.02 121.20 115.37 2i5p s ILE 798 Ca 0.64 -0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.88 2i5p s ILE 798 Cb -0.16 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 41.46 2i5p s ILE 798 CO 0.55 -0.00 -0.11 -1.58 -1.91 0.00 0.00 174.94 171.89 2i5p s GLN 799 N 0.34 3.26 -0.17 3.50 0.74 -1.26 -0.66 119.66 125.41 2i5p s GLN 799 Ca -0.00 -0.65 -0.13 0.00 0.05 0.00 0.00 55.36 54.63 2i5p s GLN 799 Cb -0.05 -2.64 -0.22 0.00 1.10 0.00 0.00 33.01 31.20 2i5p s GLN 799 CO 0.01 0.31 0.24 -0.11 -0.55 0.00 0.00 175.29 175.20 2i5p n LEU 800 N 3.25 2.28 -4.05 3.68 7.94 -0.67 -5.01 117.00 124.42 2i5p n LEU 800 Ca -0.18 0.30 -0.10 0.00 -1.11 0.00 0.00 56.01 54.92 2i5p n LEU 800 Cb 0.53 -1.03 -0.08 0.00 0.53 0.00 0.00 43.42 43.36 2i5p n LEU 800 CO 0.30 0.59 -0.14 -0.94 -1.11 0.00 0.00 177.39 176.09 2i5p s SER 801 N -6.97 0.15 0.55 1.96 1.04 -1.06 -5.01 113.70 104.36 2i5p s SER 801 Ca -0.26 -1.03 0.40 0.00 0.48 0.00 0.00 55.95 55.53 2i5p s SER 801 Cb 0.07 0.38 1.58 0.00 0.10 0.00 0.00 66.02 68.14 2i5p s SER 801 CO 0.67 -0.83 1.73 -0.65 0.98 0.00 0.00 173.24 175.14 2i5p h PRO 802 N 2.67 0.00 -0.04 4.02 0.11 -1.96 -0.99 132.00 135.81 2i5p h PRO 802 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2i5p h PRO 802 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2i5p h PRO 802 CO 0.53 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.95 2i5p n LYS 803 N -4.06 2.00 -3.55 1.05 5.02 -1.26 -1.12 118.16 116.23 2i5p n LYS 803 Ca 0.30 -2.27 -0.25 0.00 -2.02 0.00 0.00 58.31 54.07 2i5p n LYS 803 Cb 1.43 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 34.91 2i5p n LYS 803 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2i5p s PHE 804 N -2.26 0.08 0.03 2.13 5.36 -0.38 -0.59 117.98 122.35 2i5p s PHE 804 Ca 0.23 -0.36 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 2i5p s PHE 804 Cb 0.20 -0.67 -0.02 0.00 -0.34 0.00 0.00 43.02 42.19 2i5p s PHE 804 CO 0.03 -0.66 -0.05 0.54 -1.46 0.00 0.00 175.22 173.62 2i5p s VAL 805 N 2.19 0.27 -0.21 3.12 0.11 -1.01 -1.66 120.40 123.21 2i5p s VAL 805 Ca 0.06 -0.99 -0.05 0.00 -2.93 0.00 0.00 61.98 58.06 2i5p s VAL 805 Cb -0.16 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2i5p s VAL 805 CO -0.20 -0.47 0.00 -0.75 -3.33 0.00 0.00 175.10 170.35 2i5p s LYS 806 N -1.57 3.61 0.07 1.54 2.20 0.17 -1.33 119.74 124.43 2i5p s LYS 806 Ca -0.13 -0.52 0.07 0.00 -0.36 0.00 0.00 55.97 55.03 2i5p s LYS 806 Cb -0.10 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 2i5p s LYS 806 CO -0.01 -0.01 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.31 2i5p s LEU 807 N 1.07 2.78 -0.04 5.43 1.43 0.12 -1.48 118.68 127.98 2i5p s LEU 807 Ca 0.02 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2i5p s LEU 807 Cb -0.14 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2i5p s LEU 807 CO 0.02 0.22 -0.22 -0.69 0.23 0.00 0.00 176.35 175.91 2i5p s VAL 808 N -1.05 1.77 -0.11 -1.59 1.01 -1.26 -0.88 120.40 118.29 2i5p s VAL 808 Ca 0.17 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2i5p s VAL 808 Cb -0.11 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2i5p s VAL 808 CO 0.08 0.50 0.26 0.00 0.00 0.00 0.00 175.10 175.94 2i5p s ALA 809 N -0.19 -0.59 0.36 5.51 0.00 -0.74 -0.59 121.76 125.52 2i5p s ALA 809 Ca -0.01 1.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 2i5p s ALA 809 Cb -0.12 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2i5p s ALA 809 CO 0.02 -0.22 0.59 -1.58 0.00 0.00 0.00 175.76 174.57 2i5p s TRP 810 N 1.33 3.51 -0.28 0.00 0.52 -0.38 0.05 118.94 123.68 2i5p s TRP 810 Ca -0.09 0.50 -0.19 0.00 0.02 0.00 0.00 56.10 56.34 2i5p s TRP 810 Cb -0.10 -2.02 0.08 0.00 -1.15 0.00 0.00 33.47 30.28 2i5p s TRP 810 CO -0.09 0.06 0.72 1.52 0.02 0.00 0.00 176.95 179.18 2i5p s TYR 811 N -2.35 -0.95 0.31 -1.98 1.13 -0.20 -1.18 117.35 112.13 2i5p s TYR 811 Ca 0.42 2.01 -0.29 0.00 -1.41 0.00 0.00 57.07 57.81 2i5p s TYR 811 Cb -0.10 0.50 -0.10 0.00 -1.10 0.00 0.00 41.96 41.17 2i5p s TYR 811 CO 0.36 -0.47 1.24 0.34 -2.51 0.00 0.00 175.55 174.52 2i5p s ASP 812 N 1.20 6.93 0.62 -0.18 -1.08 -1.26 -0.58 116.67 122.32 2i5p s ASP 812 Ca -0.06 2.54 0.42 0.00 -0.52 0.00 0.00 52.55 54.92 2i5p s ASP 812 Cb -0.05 -2.64 2.25 0.00 -1.46 0.00 0.00 42.92 41.02 2i5p s ASP 812 CO -0.13 -0.41 2.28 0.78 0.52 0.00 0.00 175.17 178.21 2i5p h ASN 813 N 3.65 0.00 0.00 -0.34 2.35 -1.37 -3.38 115.58 116.49 2i5p h ASN 813 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2i5p h ASN 813 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2i5p h ASN 813 CO 0.67 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.83 2i5p n GLU 814 N -2.99 1.84 -0.12 0.81 1.02 -1.26 -4.83 120.64 115.11 2i5p n GLU 814 Ca -0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 2i5p n GLU 814 Cb 0.08 -0.47 -0.02 0.00 -0.02 0.00 0.00 31.44 31.01 2i5p n GLU 814 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2i5p h TYR 815 N 0.00 0.94 -0.07 -0.32 -1.99 -1.80 0.11 116.97 113.84 2i5p h TYR 815 Ca 0.00 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.46 2i5p h TYR 815 Cb 0.00 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 2i5p h TYR 815 CO 0.00 1.01 -0.04 0.78 -0.00 0.00 0.00 178.16 179.91 2i5p h GLY 816 N 0.60 0.17 0.81 3.88 0.00 -1.67 -2.32 103.07 104.54 2i5p h GLY 816 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2i5p h GLY 816 CO 0.06 0.14 0.07 -1.82 0.00 0.00 0.00 176.54 175.00 2i5p h TYR 817 N -0.23 0.13 -0.62 5.60 3.20 -1.82 -1.86 116.97 121.37 2i5p h TYR 817 Ca 0.02 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2i5p h TYR 817 Cb 0.50 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2i5p h TYR 817 CO 0.07 0.06 0.25 0.77 -1.64 0.00 0.00 178.16 177.67 2i5p h SER 818 N 0.18 0.82 0.19 -2.11 0.02 -0.81 -1.03 113.55 110.82 2i5p h SER 818 Ca 0.10 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2i5p h SER 818 Cb 0.07 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2i5p h SER 818 CO -0.11 0.74 -0.28 0.74 -1.14 0.00 0.00 176.83 176.78 2i5p h THR 819 N 0.89 1.24 0.00 -2.27 2.02 -1.01 -2.54 112.91 111.24 2i5p h THR 819 Ca 0.21 -1.13 -0.16 0.00 0.77 0.00 0.00 66.41 66.10 2i5p h THR 819 Cb 0.17 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2i5p h THR 819 CO -0.02 0.33 -0.76 0.03 0.37 0.00 0.00 175.52 175.48 2i5p h ARG 820 N 0.14 0.00 -0.63 6.66 2.47 -0.52 -1.85 114.38 120.65 2i5p h ARG 820 Ca 0.02 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2i5p h ARG 820 Cb 0.58 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 2i5p h ARG 820 CO 0.04 0.76 0.22 0.28 0.56 0.00 0.00 179.97 181.83 2i5p h VAL 821 N 0.00 1.24 -0.35 2.04 2.07 -0.80 0.30 116.25 120.75 2i5p h VAL 821 Ca -0.01 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.57 2i5p h VAL 821 Cb 1.38 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2i5p h VAL 821 CO 0.10 0.31 -0.38 0.58 0.02 0.00 0.00 177.57 178.19 2i5p h VAL 822 N 0.90 1.28 -0.49 2.57 2.07 -1.45 -0.79 116.25 120.35 2i5p h VAL 822 Ca 0.21 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2i5p h VAL 822 Cb 0.25 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2i5p h VAL 822 CO -0.01 0.51 0.31 0.44 0.02 0.00 0.00 177.57 178.85 2i5p h ASP 823 N 0.69 0.57 -0.50 0.57 3.32 -0.84 -1.27 116.42 118.96 2i5p h ASP 823 Ca 0.06 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2i5p h ASP 823 Cb 0.95 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 2i5p h ASP 823 CO 0.09 0.43 0.13 0.25 -1.72 0.00 0.00 179.24 178.41 2i5p h LEU 824 N 0.66 0.80 -0.04 1.55 5.85 -0.24 -0.90 115.31 122.98 2i5p h LEU 824 Ca 0.18 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2i5p h LEU 824 Cb -0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 2i5p h LEU 824 CO -0.04 0.79 0.02 0.58 -0.34 0.00 0.00 178.44 179.45 2i5p h VAL 825 N 0.82 1.00 0.00 1.05 2.07 -0.44 -0.95 116.25 119.81 2i5p h VAL 825 Ca 0.18 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.63 2i5p h VAL 825 Cb 0.31 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2i5p h VAL 825 CO 0.00 0.01 -0.27 -0.33 0.02 0.00 0.00 177.57 177.00 2i5p h GLU 826 N 0.05 0.00 -0.01 1.57 5.08 -0.96 -1.55 114.58 118.76 2i5p h GLU 826 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 2i5p h GLU 826 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2i5p h GLU 826 CO -0.01 0.27 -0.94 1.25 -1.00 0.00 0.00 179.01 178.57 2i5p h HIS 827 N 0.00 0.66 0.00 4.33 2.76 -0.68 -3.20 115.15 119.02 2i5p h HIS 827 Ca -0.00 -0.36 -0.04 0.00 -2.20 0.00 0.00 60.37 57.77 2i5p h HIS 827 Cb 0.57 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2i5p h HIS 827 CO 0.00 1.17 -0.35 0.28 -1.30 0.00 0.00 177.93 177.73 2i5p h VAL 828 N 0.25 0.26 0.00 5.26 2.07 -1.03 -3.51 116.25 119.56 2i5p h VAL 828 Ca -0.08 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2i5p h VAL 828 Cb 1.58 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2i5p h VAL 828 CO 0.17 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.90