#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p15 s ARG 543 N 0.00 1.33 0.49 2.12 0.52 -1.26 -5.01 118.95 117.14 1p15 s ARG 543 Ca 0.00 -1.72 0.25 0.00 -0.52 0.00 0.00 55.73 53.74 1p15 s ARG 543 Cb 0.00 0.08 1.27 0.00 0.52 0.00 0.00 34.95 36.82 1p15 s ARG 543 CO 0.00 -0.38 2.00 1.79 0.02 0.00 0.00 175.30 178.73 1p15 h THR 544 N 2.48 0.66 -0.01 0.02 1.35 -1.96 -2.07 112.91 113.38 1p15 h THR 544 Ca -0.36 -0.71 -0.21 0.00 -0.55 0.00 0.00 66.41 64.58 1p15 h THR 544 Cb 1.25 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1p15 h THR 544 CO 0.54 0.16 -0.90 1.23 -0.25 0.00 0.00 175.52 176.31 1p15 h GLY 545 N 1.06 0.40 1.91 5.82 0.00 -1.92 -3.09 103.07 107.26 1p15 h GLY 545 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1p15 h GLY 545 CO 0.02 0.60 -0.01 0.70 0.00 0.00 0.00 176.54 177.85 1p15 n ASN 546 N -3.74 0.01 -4.70 0.19 3.02 -0.84 -3.28 115.26 105.93 1p15 n ASN 546 Ca -0.06 0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 1p15 n ASN 546 Cb 0.81 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 1p15 n ASN 546 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p15 s LEU 547 N -2.93 4.38 0.28 3.41 1.43 -0.84 -4.71 118.68 119.70 1p15 s LEU 547 Ca 0.16 2.61 -0.30 0.00 -1.03 0.00 0.00 54.13 55.58 1p15 s LEU 547 Cb 0.19 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 1p15 s LEU 547 CO 0.52 -0.91 1.53 -2.84 0.23 0.00 0.00 176.35 174.89 1p15 s PRO 548 N 2.19 4.17 0.00 1.29 0.02 -1.26 -0.47 135.00 140.95 1p15 s PRO 548 Ca 0.75 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.25 1p15 s PRO 548 Cb -0.43 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1p15 s PRO 548 CO 0.33 -0.55 0.00 0.00 -0.33 0.00 0.00 177.00 176.45 1p15 n ALA 549 N 2.11 0.00 0.03 -1.55 0.00 -1.26 -4.68 120.51 115.16 1p15 n ALA 549 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1p15 n ALA 549 Cb 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.70 1p15 n ALA 549 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p15 n ASN 550 N 0.13 0.93 -0.22 0.00 3.02 -0.55 -4.42 115.26 114.16 1p15 n ASN 550 Ca 0.00 -0.04 0.14 0.00 -0.03 0.00 0.00 54.58 54.65 1p15 n ASN 550 Cb 0.00 1.78 0.45 0.00 -0.61 0.00 0.00 39.78 41.40 1p15 n ASN 550 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1p15 h MET 551 N 0.00 0.52 0.00 3.52 4.05 -0.75 0.40 114.93 122.67 1p15 h MET 551 Ca 0.00 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1p15 h MET 551 Cb 0.79 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 1p15 h MET 551 CO 0.00 0.34 -0.22 1.57 0.23 0.00 0.00 176.91 178.83 1p15 h LYS 552 N 0.53 0.00 -0.36 0.39 2.10 -1.86 -3.20 116.57 114.18 1p15 h LYS 552 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1p15 h LYS 552 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1p15 h LYS 552 CO -0.16 0.22 0.00 1.63 -2.00 0.00 0.00 179.45 179.14 1p15 n LYS 553 N -3.17 0.85 -4.93 0.07 5.02 0.13 -4.74 118.16 111.40 1p15 n LYS 553 Ca 0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 1p15 n LYS 553 Cb 0.60 -1.18 -0.13 0.00 -0.02 0.00 0.00 35.03 34.29 1p15 n LYS 553 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1p15 s ASN 554 N -0.73 3.93 -0.17 4.39 0.01 -1.21 -4.49 114.94 116.67 1p15 s ASN 554 Ca 0.00 -0.22 -0.17 0.00 -0.71 0.00 0.00 52.86 51.75 1p15 s ASN 554 Cb 0.00 -0.81 -0.14 0.00 0.41 0.00 0.00 41.25 40.71 1p15 s ASN 554 CO 0.00 0.34 0.17 0.03 -1.51 0.00 0.00 177.10 176.13 1p15 h ARG 555 N 5.38 0.00 -6.21 -0.60 3.08 -1.90 -3.47 114.38 110.66 1p15 h ARG 555 Ca -0.46 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.04 1p15 h ARG 555 Cb 1.15 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.13 1p15 h ARG 555 CO 0.50 0.63 -0.57 0.08 -1.07 0.00 0.00 179.97 179.54 1p15 s VAL 556 N -2.23 4.36 -0.15 2.04 1.01 -1.26 -5.06 120.40 119.11 1p15 s VAL 556 Ca -0.21 -1.24 -0.20 0.00 0.00 0.00 0.00 61.98 60.33 1p15 s VAL 556 Cb 0.03 -3.26 -0.17 0.00 0.00 0.00 0.00 36.38 32.97 1p15 s VAL 556 CO 0.45 -0.19 0.38 -0.07 0.00 0.00 0.00 175.10 175.67 1p15 h LEU 557 N 2.15 0.00 -1.78 3.92 3.38 -1.99 -3.37 115.31 117.62 1p15 h LEU 557 Ca -0.48 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 56.87 1p15 h LEU 557 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1p15 h LEU 557 CO 0.62 1.04 -0.16 -0.61 0.09 0.00 0.00 178.44 179.42 1p15 h GLN 558 N -1.00 0.00 -3.57 1.13 4.15 -1.99 -3.32 115.11 110.51 1p15 h GLN 558 Ca -0.10 0.00 -0.79 0.00 0.77 0.00 0.00 58.65 58.52 1p15 h GLN 558 Cb 0.88 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.30 1p15 h GLN 558 CO -0.06 0.16 0.64 -0.89 -1.93 0.00 0.00 178.83 176.75 1p15 n ILE 559 N -3.97 4.67 -5.02 2.39 5.41 -1.26 -4.80 119.36 116.78 1p15 n ILE 559 Ca -0.02 -5.40 -0.29 0.00 1.00 0.00 0.00 62.75 58.04 1p15 n ILE 559 Cb 0.24 -2.49 -0.15 0.00 -0.71 0.00 0.00 39.64 36.54 1p15 n ILE 559 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1p15 s ILE 560 N -1.24 1.94 0.51 1.39 2.07 -1.25 -4.68 121.20 119.94 1p15 s ILE 560 Ca 0.32 -1.17 -0.22 0.00 -1.41 0.00 0.00 60.65 58.17 1p15 s ILE 560 Cb -0.06 -1.64 -0.06 0.00 0.13 0.00 0.00 42.46 40.83 1p15 s ILE 560 CO -0.04 0.43 1.26 -2.16 -1.91 0.00 0.00 174.94 172.52 1p15 s PRO 561 N -0.88 3.42 0.73 3.50 0.04 -1.26 -4.51 135.00 136.04 1p15 s PRO 561 Ca 0.10 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 1p15 s PRO 561 Cb -0.09 -2.31 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1p15 s PRO 561 CO 0.00 -0.89 1.07 0.71 0.04 0.00 0.00 177.00 177.94 1p15 s TYR 562 N -1.43 3.02 0.16 0.56 2.02 -1.26 -4.81 117.35 115.60 1p15 s TYR 562 Ca 0.68 1.30 0.04 0.00 -0.37 0.00 0.00 57.07 58.72 1p15 s TYR 562 Cb -0.34 -2.97 -0.01 0.00 -0.40 0.00 0.00 41.96 38.23 1p15 s TYR 562 CO 0.41 -1.43 1.38 1.49 -1.57 0.00 0.00 175.55 175.83 1p15 h GLU 563 N -0.85 0.14 0.00 -0.62 4.57 -1.96 -3.20 114.58 112.66 1p15 h GLU 563 Ca -0.45 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 1p15 h GLU 563 Cb 1.23 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1p15 h GLU 563 CO 0.58 0.93 0.00 1.97 -1.18 0.00 0.00 179.01 181.31 1p15 n PHE 564 N -3.61 0.00 -2.69 0.92 1.16 -1.26 -3.82 117.46 108.16 1p15 n PHE 564 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.52 1p15 n PHE 564 Cb 0.82 -0.19 0.12 0.00 -1.61 0.00 0.00 39.48 38.62 1p15 n PHE 564 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1p15 n ASN 565 N -1.19 -1.27 -4.85 5.98 6.94 -1.23 -5.09 115.26 114.55 1p15 n ASN 565 Ca 0.08 -2.27 -0.38 0.00 -0.02 0.00 0.00 54.58 52.00 1p15 n ASN 565 Cb 0.09 0.64 -0.06 0.00 -2.36 0.00 0.00 39.78 38.09 1p15 n ASN 565 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1p15 s ARG 566 N -0.22 3.80 -0.43 -3.83 1.70 -1.21 -1.03 118.95 117.73 1p15 s ARG 566 Ca 0.13 0.28 -0.27 0.00 -0.47 0.00 0.00 55.73 55.40 1p15 s ARG 566 Cb 0.43 -3.21 -0.03 0.00 -0.57 0.00 0.00 34.95 31.58 1p15 s ARG 566 CO -0.11 0.71 1.92 0.08 -1.08 0.00 0.00 175.30 176.82 1p15 s VAL 567 N -1.08 3.35 -0.26 4.99 1.01 -1.09 -4.85 120.40 122.47 1p15 s VAL 567 Ca 0.22 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 1p15 s VAL 567 Cb -0.16 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1p15 s VAL 567 CO 0.11 -0.49 0.60 -0.63 0.00 0.00 0.00 175.10 174.69 1p15 s ILE 568 N 8.33 5.01 0.13 2.22 1.01 -1.26 -4.33 121.20 132.31 1p15 s ILE 568 Ca 0.80 1.06 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1p15 s ILE 568 Cb -0.19 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1p15 s ILE 568 CO 0.29 0.04 0.29 0.27 0.00 0.00 0.00 174.94 175.83 1p15 s ILE 569 N 2.45 5.31 0.27 2.92 -4.36 -1.16 -5.00 121.20 121.63 1p15 s ILE 569 Ca 0.25 -0.46 -0.30 0.00 -0.26 0.00 0.00 60.65 59.88 1p15 s ILE 569 Cb -0.16 -3.69 -0.10 0.00 1.25 0.00 0.00 42.46 39.76 1p15 s ILE 569 CO 0.09 -0.02 1.44 -2.84 0.24 0.00 0.00 174.94 173.84 1p15 s PRO 570 N -2.97 4.25 -0.06 0.37 0.02 -1.26 -4.55 135.00 130.81 1p15 s PRO 570 Ca 0.36 2.34 -0.36 0.00 0.02 0.00 0.00 61.00 63.36 1p15 s PRO 570 Cb -0.12 -3.09 -0.14 0.00 0.02 0.00 0.00 34.50 31.18 1p15 s PRO 570 CO 0.28 -0.42 1.70 0.28 -0.33 0.00 0.00 177.00 178.51 1p15 n VAL 571 N 2.02 0.30 0.25 3.83 0.31 -1.26 -4.80 118.33 118.98 1p15 n VAL 571 Ca 0.06 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1p15 n VAL 571 Cb 0.40 -1.49 -0.10 0.00 -0.91 0.00 0.00 33.84 31.75 1p15 n VAL 571 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1p15 h LYS 572 N 7.33 -0.91 -3.89 5.55 3.64 -1.90 -3.45 116.57 122.93 1p15 h LYS 572 Ca -0.47 0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.88 1p15 h LYS 572 Cb 1.29 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 33.17 1p15 h LYS 572 CO 0.91 -0.61 -0.42 0.50 -2.27 0.00 0.00 179.45 177.56 1p15 s ARG 573 N -5.85 0.81 0.00 1.90 3.00 -1.26 -5.13 118.95 112.42 1p15 s ARG 573 Ca -0.18 -1.01 0.00 0.00 -1.00 0.00 0.00 55.73 53.54 1p15 s ARG 573 Cb 0.05 0.32 0.00 0.00 0.00 0.00 0.00 34.95 35.32 1p15 s ARG 573 CO 0.61 -0.24 0.00 0.41 0.00 0.00 0.00 175.30 176.08 1p15 n GLY 574 N -0.03 0.00 3.60 8.12 0.00 -1.26 -4.82 105.19 110.80 1p15 n GLY 574 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 1p15 n GLY 574 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1p15 n GLU 575 N -0.47 1.42 0.00 1.61 0.28 -1.26 -4.67 120.64 117.55 1p15 n GLU 575 Ca 0.00 0.50 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1p15 n GLU 575 Cb 0.00 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 30.96 1p15 n GLU 575 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1p15 n GLU 576 N 0.85 0.00 -3.19 3.44 0.28 -1.26 -5.10 120.64 115.66 1p15 n GLU 576 Ca 0.10 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.14 1p15 n GLU 576 Cb 0.32 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.17 1p15 n GLU 576 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1p15 s ASN 577 N -4.00 -0.64 -0.19 -1.84 3.04 -1.26 -5.01 114.94 105.03 1p15 s ASN 577 Ca 0.00 0.47 0.03 0.00 0.04 0.00 0.00 52.86 53.40 1p15 s ASN 577 Cb 0.00 1.56 0.10 0.00 -1.54 0.00 0.00 41.25 41.37 1p15 s ASN 577 CO 0.00 -0.12 0.91 1.07 -3.04 0.00 0.00 177.10 175.92 1p15 n THR 578 N 5.38 0.00 -0.81 -5.21 5.66 -1.26 -4.97 114.28 113.07 1p15 n THR 578 Ca -0.06 -0.47 0.08 0.00 -3.05 0.00 0.00 64.05 60.54 1p15 n THR 578 Cb 0.53 0.62 0.12 0.00 -1.55 0.00 0.00 70.33 70.05 1p15 n THR 578 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1p15 n ASP 579 N -0.44 2.40 -4.61 1.09 5.75 -1.26 -4.06 116.55 115.41 1p15 n ASP 579 Ca -0.14 -2.82 -0.34 0.00 -0.01 0.00 0.00 54.79 51.48 1p15 n ASP 579 Cb 0.63 -0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 40.27 1p15 n ASP 579 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1p15 s TYR 580 N -2.42 3.08 -0.09 2.11 5.04 -1.26 -2.99 117.35 120.82 1p15 s TYR 580 Ca 0.26 0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.88 1p15 s TYR 580 Cb 0.22 -1.83 0.05 0.00 0.35 0.00 0.00 41.96 40.75 1p15 s TYR 580 CO 0.03 0.30 0.19 0.14 -1.34 0.00 0.00 175.55 174.87 1p15 s VAL 581 N -0.50 -0.21 -1.00 3.14 -7.23 -1.26 -5.00 120.40 108.35 1p15 s VAL 581 Ca 0.08 0.26 -0.25 0.00 -1.81 0.00 0.00 61.98 60.26 1p15 s VAL 581 Cb -0.12 -0.33 -0.13 0.00 0.56 0.00 0.00 36.38 36.36 1p15 s VAL 581 CO 0.02 0.11 2.10 0.21 -0.31 0.00 0.00 175.10 177.23 1p15 s ASN 582 N 1.87 4.33 -0.01 4.85 3.84 -1.26 -4.63 114.94 123.93 1p15 s ASN 582 Ca -0.02 -0.83 -0.23 0.00 0.21 0.00 0.00 52.86 51.99 1p15 s ASN 582 Cb -0.12 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.06 1p15 s ASN 582 CO -0.07 -3.67 0.50 0.00 -2.79 0.00 0.00 177.10 171.07 1p15 s ALA 583 N 13.40 -1.28 0.04 1.71 0.00 -1.26 -2.42 121.76 131.95 1p15 s ALA 583 Ca 0.78 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.54 1p15 s ALA 583 Cb -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1p15 s ALA 583 CO 0.10 -0.36 -0.13 -1.12 0.00 0.00 0.00 175.76 174.25 1p15 s SER 584 N -1.43 1.57 -0.28 0.00 0.01 0.31 -2.68 113.70 111.20 1p15 s SER 584 Ca -0.11 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.47 1p15 s SER 584 Cb -0.02 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 1p15 s SER 584 CO 0.05 0.02 0.84 -0.36 0.41 0.00 0.00 173.24 174.20 1p15 s PHE 585 N -0.84 3.25 0.04 2.43 0.08 -0.20 -0.25 117.98 122.51 1p15 s PHE 585 Ca 0.01 1.01 0.06 0.00 0.12 0.00 0.00 56.93 58.13 1p15 s PHE 585 Cb -0.08 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.15 1p15 s PHE 585 CO 0.01 -0.51 -0.15 0.42 -0.10 0.00 0.00 175.22 174.90 1p15 s ILE 586 N 2.98 3.06 0.29 0.64 -1.09 0.52 -4.84 121.20 122.75 1p15 s ILE 586 Ca 0.35 -1.12 -0.23 0.00 -2.23 0.00 0.00 60.65 57.42 1p15 s ILE 586 Cb -0.14 -2.32 -0.09 0.00 -1.58 0.00 0.00 42.46 38.32 1p15 s ILE 586 CO 0.10 0.31 0.85 -1.81 -1.23 0.00 0.00 174.94 173.16 1p15 s ASP 587 N -1.57 7.19 0.00 3.58 1.01 -1.26 -0.36 116.67 125.26 1p15 s ASP 587 Ca 0.16 1.65 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1p15 s ASP 587 Cb -0.11 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1p15 s ASP 587 CO 0.07 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.01 1p15 n GLY 588 N 0.53 2.06 3.60 0.21 0.00 0.26 -4.72 105.19 107.12 1p15 n GLY 588 Ca 0.01 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1p15 n GLY 588 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p15 s TYR 589 N 2.83 3.03 -1.37 1.61 5.04 -1.26 -3.82 117.35 123.41 1p15 s TYR 589 Ca 0.00 0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 55.25 1p15 s TYR 589 Cb 0.00 -3.78 0.10 0.00 0.35 0.00 0.00 41.96 38.63 1p15 s TYR 589 CO 0.00 -0.91 0.57 0.54 -1.34 0.00 0.00 175.55 174.42 1p15 n ARG 590 N 6.95 -3.37 -3.66 4.97 1.74 -1.26 -4.92 116.66 117.11 1p15 n ARG 590 Ca 0.08 0.43 -0.08 0.00 -0.77 0.00 0.00 57.85 57.51 1p15 n ARG 590 Cb 0.48 -5.15 -0.09 0.00 -1.02 0.00 0.00 32.46 26.68 1p15 n ARG 590 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1p15 s GLN 591 N -6.26 0.36 0.06 5.56 0.74 -1.25 -5.14 119.66 113.72 1p15 s GLN 591 Ca 0.49 1.01 -0.30 0.00 0.05 0.00 0.00 55.36 56.62 1p15 s GLN 591 Cb -0.26 0.28 -0.05 0.00 1.10 0.00 0.00 33.01 34.08 1p15 s GLN 591 CO 0.61 -0.23 1.05 0.15 -0.55 0.00 0.00 175.29 176.32 1p15 s LYS 592 N 2.37 4.55 -1.29 1.67 -0.14 -1.26 0.89 119.74 126.52 1p15 s LYS 592 Ca -0.04 1.56 -0.00 0.00 -1.36 0.00 0.00 55.97 56.13 1p15 s LYS 592 Cb -0.11 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.65 1p15 s LYS 592 CO -0.13 -0.05 0.74 -0.25 -0.76 0.00 0.00 175.35 174.90 1p15 n ASP 593 N 3.55 -1.30 0.21 2.83 8.00 -1.11 -4.83 116.55 123.90 1p15 n ASP 593 Ca 0.06 -0.79 0.08 0.00 0.71 0.00 0.00 54.79 54.85 1p15 n ASP 593 Cb 0.49 -4.21 0.39 0.00 -0.02 0.00 0.00 41.12 37.76 1p15 n ASP 593 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1p15 h SER 594 N -1.87 0.00 -4.49 -2.24 0.02 -0.81 -3.43 113.55 100.72 1p15 h SER 594 Ca -0.61 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 59.99 1p15 h SER 594 Cb 1.36 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.70 1p15 h SER 594 CO 0.56 0.29 -0.75 -0.31 -1.14 0.00 0.00 176.83 175.47 1p15 s TYR 595 N -3.60 1.04 -0.36 3.45 1.51 -0.86 -1.22 117.35 117.31 1p15 s TYR 595 Ca 0.01 -0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 55.49 1p15 s TYR 595 Cb 0.10 -0.58 0.07 0.00 -0.11 0.00 0.00 41.96 41.44 1p15 s TYR 595 CO 0.66 0.01 0.12 0.42 -1.11 0.00 0.00 175.55 175.65 1p15 s ILE 596 N -1.74 3.39 -0.75 2.71 1.01 -0.61 -0.35 121.20 124.84 1p15 s ILE 596 Ca -0.01 -1.58 -0.26 0.00 0.00 0.00 0.00 60.65 58.80 1p15 s ILE 596 Cb -0.07 -3.09 0.04 0.00 0.01 0.00 0.00 42.46 39.35 1p15 s ILE 596 CO 0.01 -0.38 1.24 0.00 0.00 0.00 0.00 174.94 175.81 1p15 s ALA 597 N 1.26 2.82 0.29 9.38 0.00 0.66 -1.64 121.76 134.52 1p15 s ALA 597 Ca 0.01 -1.56 0.10 0.00 0.00 0.00 0.00 51.96 50.51 1p15 s ALA 597 Cb -0.21 -4.21 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 1p15 s ALA 597 CO -0.01 -3.22 0.00 0.45 0.00 0.00 0.00 175.76 172.98 1p15 s SER 598 N 3.84 4.44 0.52 0.00 0.15 0.02 -0.53 113.70 122.14 1p15 s SER 598 Ca 0.34 -0.74 -0.05 0.00 0.70 0.00 0.00 55.95 56.20 1p15 s SER 598 Cb -0.09 -0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1p15 s SER 598 CO 0.11 -0.06 0.83 0.00 1.20 0.00 0.00 173.24 175.32 1p15 s GLN 599 N -3.69 3.30 0.01 5.44 -2.07 -1.01 -3.72 119.66 117.91 1p15 s GLN 599 Ca 0.32 0.11 -0.30 0.00 -1.82 0.00 0.00 55.36 53.67 1p15 s GLN 599 Cb -0.05 -2.34 -0.05 0.00 -1.09 0.00 0.00 33.01 29.48 1p15 s GLN 599 CO 0.20 -0.39 1.31 0.20 -1.32 0.00 0.00 175.29 175.29 1p15 s GLY 600 N -4.18 2.02 0.23 2.60 0.00 0.13 -4.75 107.32 103.37 1p15 s GLY 600 Ca 0.50 0.83 -0.30 0.00 0.00 0.00 0.00 44.72 45.75 1p15 s GLY 600 CO 0.45 2.34 1.00 -1.55 0.00 0.00 0.00 173.10 175.34 1p15 n PRO 601 N 4.96 1.08 -3.06 2.90 -0.04 -1.26 -4.73 135.00 134.84 1p15 n PRO 601 Ca 0.12 0.38 -0.29 0.00 -0.04 0.00 0.00 63.50 63.67 1p15 n PRO 601 Cb 0.45 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 1p15 n PRO 601 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1p15 s LEU 602 N 0.86 3.91 0.18 1.53 1.43 -1.26 -1.32 118.68 124.01 1p15 s LEU 602 Ca 0.65 0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 54.36 1p15 s LEU 602 Cb -0.80 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 41.70 1p15 s LEU 602 CO 0.56 -0.33 1.55 -0.07 0.23 0.00 0.00 176.35 178.29 1p15 h LEU 603 N 1.25 -1.88 -0.89 1.79 3.38 -1.95 0.15 115.31 117.16 1p15 h LEU 603 Ca -0.48 0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1p15 h LEU 603 Cb 1.19 0.86 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1p15 h LEU 603 CO 0.64 -0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1p15 n HIS 604 N -5.34 0.00 -1.58 1.13 1.44 -1.26 -2.83 115.22 106.78 1p15 n HIS 604 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1p15 n HIS 604 Cb 0.31 -0.07 0.01 0.00 0.12 0.00 0.00 29.99 30.36 1p15 n HIS 604 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1p15 n THR 605 N 0.02 0.11 -0.08 0.61 -2.24 0.49 -4.84 114.28 108.35 1p15 n THR 605 Ca 0.00 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1p15 n THR 605 Cb 0.19 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1p15 n THR 605 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1p15 h ILE 606 N 5.19 1.28 -0.22 2.28 2.04 -1.33 -1.80 117.51 124.96 1p15 h ILE 606 Ca 0.00 -1.65 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 1p15 h ILE 606 Cb 1.23 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1p15 h ILE 606 CO 0.00 0.54 0.01 -0.08 0.00 0.00 0.00 178.15 178.62 1p15 h GLU 607 N 0.66 0.37 -0.39 2.37 4.81 -1.88 -2.59 114.58 117.93 1p15 h GLU 607 Ca 0.04 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1p15 h GLU 607 Cb 1.05 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 1p15 h GLU 607 CO 0.10 0.55 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.45 1p15 h ASP 608 N 0.15 -0.24 -0.94 1.04 3.45 -1.89 0.40 116.42 118.39 1p15 h ASP 608 Ca 0.06 0.10 0.15 0.00 0.43 0.00 0.00 57.03 57.77 1p15 h ASP 608 Cb 0.37 0.19 -0.08 0.00 -0.56 0.00 0.00 39.33 39.25 1p15 h ASP 608 CO 0.01 -0.08 0.60 0.15 -1.57 0.00 0.00 179.24 178.35 1p15 h PHE 609 N 0.06 0.93 0.10 4.55 3.57 -1.25 0.25 116.94 125.15 1p15 h PHE 609 Ca 0.19 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.45 1p15 h PHE 609 Cb 0.28 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1p15 h PHE 609 CO -0.30 0.33 -1.18 -1.49 -2.23 0.00 0.00 178.31 173.44 1p15 h TRP 610 N 0.77 0.50 0.00 0.41 -0.00 -0.55 -0.94 115.95 116.14 1p15 h TRP 610 Ca 0.48 -0.34 -0.08 0.00 -0.00 0.00 0.00 58.89 58.95 1p15 h TRP 610 Cb 0.70 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.82 1p15 h TRP 610 CO -0.00 1.25 -0.36 -0.09 -0.00 0.00 0.00 178.44 179.23 1p15 h ARG 611 N 0.10 0.00 0.00 0.49 2.43 0.31 -0.71 114.38 117.00 1p15 h ARG 611 Ca -0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1p15 h ARG 611 Cb 1.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 1p15 h ARG 611 CO 0.19 0.36 -0.00 1.98 -1.51 0.00 0.00 179.97 180.99 1p15 h MET 612 N 0.00 -0.01 -0.87 0.20 4.05 -0.44 -1.66 114.93 116.21 1p15 h MET 612 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1p15 h MET 612 Cb 1.01 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.77 1p15 h MET 612 CO 0.05 0.63 0.56 0.82 0.23 0.00 0.00 176.91 179.19 1p15 h ILE 613 N -0.65 1.23 -0.35 1.77 2.04 -1.02 -1.94 117.51 118.60 1p15 h ILE 613 Ca -0.00 -0.47 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 1p15 h ILE 613 Cb 0.64 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1p15 h ILE 613 CO 0.00 0.23 -0.33 -0.25 0.00 0.00 0.00 178.15 177.81 1p15 h TRP 614 N 1.19 0.91 -0.00 1.37 2.91 -1.18 -2.72 115.95 118.44 1p15 h TRP 614 Ca 0.32 -0.25 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1p15 h TRP 614 Cb -0.10 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 28.35 1p15 h TRP 614 CO -0.01 1.00 -0.01 0.93 -1.03 0.00 0.00 178.44 179.33 1p15 h GLU 615 N 0.66 -0.02 -1.03 2.65 4.39 -0.81 -3.08 114.58 117.33 1p15 h GLU 615 Ca 0.07 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.40 1p15 h GLU 615 Cb 0.87 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.31 1p15 h GLU 615 CO 0.08 -0.01 0.47 0.91 -1.16 0.00 0.00 179.01 179.30 1p15 n TRP 616 N -5.11 2.14 -2.49 4.33 7.02 -0.77 -4.90 117.44 117.66 1p15 n TRP 616 Ca -0.07 -1.53 -0.04 0.00 -1.02 0.00 0.00 57.50 54.84 1p15 n TRP 616 Cb 0.04 -0.78 -0.00 0.00 -2.42 0.00 0.00 31.31 28.16 1p15 n TRP 616 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1p15 n LYS 617 N -0.60 -2.78 -2.14 -0.99 5.02 -1.17 -4.44 118.16 111.07 1p15 n LYS 617 Ca 0.42 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 56.47 1p15 n LYS 617 Cb 1.25 -4.70 -0.03 0.00 -0.02 0.00 0.00 35.03 31.53 1p15 n LYS 617 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1p15 s SER 618 N -2.01 6.80 0.00 4.39 0.15 -1.03 -4.70 113.70 117.29 1p15 s SER 618 Ca 0.00 2.55 0.01 0.00 0.70 0.00 0.00 55.95 59.22 1p15 s SER 618 Cb -0.00 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1p15 s SER 618 CO 0.00 -0.57 0.14 0.00 1.20 0.00 0.00 173.24 174.02 1p15 s SER 620 N -0.89 2.80 -0.05 0.00 0.01 -1.26 -0.01 113.70 114.29 1p15 s SER 620 Ca 0.01 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1p15 s SER 620 Cb 0.01 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1p15 s SER 620 CO 0.04 0.27 -0.02 -0.63 0.41 0.00 0.00 173.24 173.30 1p15 s ILE 621 N -0.63 0.42 -0.29 1.44 1.01 -0.57 -1.22 121.20 121.36 1p15 s ILE 621 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1p15 s ILE 621 Cb -0.09 -0.51 0.04 0.00 0.01 0.00 0.00 42.46 41.91 1p15 s ILE 621 CO 0.00 0.23 0.00 -0.69 0.00 0.00 0.00 174.94 174.48 1p15 s VAL 622 N 1.34 3.16 -0.50 2.92 1.01 0.35 0.04 120.40 128.72 1p15 s VAL 622 Ca -0.05 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 1p15 s VAL 622 Cb -0.13 -2.73 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1p15 s VAL 622 CO -0.02 -0.01 0.57 -0.32 0.00 0.00 0.00 175.10 175.31 1p15 s MET 623 N 1.32 3.08 -0.29 2.72 1.75 -0.05 -1.17 119.30 126.65 1p15 s MET 623 Ca -0.02 -1.05 0.07 0.00 -1.25 0.00 0.00 55.69 53.43 1p15 s MET 623 Cb -0.19 -4.12 0.59 0.00 2.84 0.00 0.00 34.83 33.95 1p15 s MET 623 CO -0.01 -1.19 1.63 1.28 -0.65 0.00 0.00 175.02 176.08 1p15 n LEU 624 N 5.91 5.48 -3.97 4.11 4.77 0.50 -1.14 117.00 132.66 1p15 n LEU 624 Ca -0.08 -2.86 -0.09 0.00 -0.03 0.00 0.00 56.01 52.94 1p15 n LEU 624 Cb 0.45 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1p15 n LEU 624 CO 0.52 0.77 0.18 0.28 -1.33 0.00 0.00 177.39 177.82 1p15 s THR 625 N -2.53 0.01 0.04 -5.08 -1.32 -1.26 -4.79 115.64 100.70 1p15 s THR 625 Ca 0.45 -1.35 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 1p15 s THR 625 Cb 0.36 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.18 1p15 s THR 625 CO 0.10 -0.03 0.10 -0.70 -2.21 0.00 0.00 174.62 171.89 1p15 s GLU 626 N -4.00 3.05 0.33 7.08 2.56 -1.26 -4.81 118.70 121.64 1p15 s GLU 626 Ca 0.21 -0.55 0.01 0.00 0.00 0.00 0.00 54.97 54.63 1p15 s GLU 626 Cb -0.01 -2.84 0.57 0.00 2.00 0.00 0.00 34.13 33.85 1p15 s GLU 626 CO 0.08 0.61 1.98 -0.07 -0.56 0.00 0.00 175.26 177.30 1p15 h LEU 627 N 3.66 0.82 -8.58 2.70 3.38 -1.86 -3.40 115.31 112.03 1p15 h LEU 627 Ca -0.48 -0.02 -0.69 0.00 0.09 0.00 0.00 57.88 56.79 1p15 h LEU 627 Cb 1.17 -0.20 -0.29 0.00 0.09 0.00 0.00 40.66 41.43 1p15 h LEU 627 CO 0.66 0.58 -0.85 -0.70 0.09 0.00 0.00 178.44 178.22 1p15 s GLU 628 N -5.81 2.62 -0.26 1.13 2.56 -1.26 0.88 118.70 118.55 1p15 s GLU 628 Ca -0.11 -0.85 -0.24 0.00 0.00 0.00 0.00 54.97 53.78 1p15 s GLU 628 Cb 0.18 -2.25 0.07 0.00 2.00 0.00 0.00 34.13 34.13 1p15 s GLU 628 CO 0.78 0.41 0.69 -1.21 -0.56 0.00 0.00 175.26 175.37 1p15 s GLU 629 N -0.22 0.81 -0.32 4.30 2.02 -0.85 -4.89 118.70 119.55 1p15 s GLU 629 Ca -0.01 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.94 1p15 s GLU 629 Cb -0.13 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1p15 s GLU 629 CO 0.03 -0.10 0.00 0.54 0.02 0.00 0.00 175.26 175.75 1p15 n ARG 630 N 2.70 -2.00 0.00 1.61 1.74 -1.26 -1.53 116.66 117.91 1p15 n ARG 630 Ca -0.14 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1p15 n ARG 630 Cb 0.55 -4.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.50 1p15 n ARG 630 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p15 n GLY 631 N -0.35 0.61 3.31 -0.13 0.00 -1.26 -5.10 105.19 102.27 1p15 n GLY 631 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1p15 n GLY 631 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p15 s GLN 632 N -0.73 1.65 -0.01 1.61 0.00 -0.58 -5.12 119.66 116.48 1p15 s GLN 632 Ca 0.00 -1.95 -0.27 0.00 -0.00 0.00 0.00 55.36 53.14 1p15 s GLN 632 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 33.01 33.10 1p15 s GLN 632 CO 0.00 -0.55 0.86 -2.00 0.00 0.00 0.00 175.29 173.61 1p15 s GLU 633 N -3.67 4.52 -0.10 9.60 2.12 -1.26 -2.00 118.70 127.91 1p15 s GLU 633 Ca 0.37 1.21 0.14 0.00 0.36 0.00 0.00 54.97 57.06 1p15 s GLU 633 Cb 0.04 -3.44 0.24 0.00 0.26 0.00 0.00 34.13 31.22 1p15 s GLU 633 CO 0.22 0.04 1.13 1.17 -0.54 0.00 0.00 175.26 177.28 1p15 n LYS 634 N 3.68 1.81 0.00 4.30 4.81 0.25 -4.91 118.16 128.10 1p15 n LYS 634 Ca 0.03 -2.34 0.00 0.00 -0.87 0.00 0.00 58.31 55.13 1p15 n LYS 634 Cb 0.51 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1p15 n LYS 634 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1p15 s ALA 636 N -1.70 3.64 -0.03 0.00 0.00 -0.43 -4.66 121.76 118.58 1p15 s ALA 636 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1p15 s ALA 636 Cb 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 1p15 s ALA 636 CO 0.00 0.67 1.63 -1.14 0.00 0.00 0.00 175.76 176.92 1p15 s GLN 637 N -1.47 4.19 -0.09 0.00 0.74 -1.26 -4.75 119.66 117.02 1p15 s GLN 637 Ca 0.20 2.19 0.13 0.00 0.05 0.00 0.00 55.36 57.94 1p15 s GLN 637 Cb -0.12 -3.89 0.20 0.00 1.10 0.00 0.00 33.01 30.30 1p15 s GLN 637 CO 0.10 -0.80 1.10 2.48 -0.55 0.00 0.00 175.29 177.62 1p15 n TYR 638 N 6.73 0.00 -4.07 1.67 4.11 -1.26 -5.02 117.16 119.32 1p15 n TYR 638 Ca 0.17 -0.82 -0.10 0.00 -0.00 0.00 0.00 57.90 57.15 1p15 n TYR 638 Cb 0.42 -0.12 -0.11 0.00 -0.00 0.00 0.00 39.34 39.54 1p15 n TYR 638 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1p15 s TRP 639 N -2.25 0.56 0.18 -3.48 -2.14 -1.26 -5.04 118.94 105.52 1p15 s TRP 639 Ca 0.22 -0.74 -0.30 0.00 2.66 0.00 0.00 56.10 57.94 1p15 s TRP 639 Cb 0.19 -0.36 -0.08 0.00 -3.10 0.00 0.00 33.47 30.12 1p15 s TRP 639 CO 0.02 -0.20 1.04 -2.14 -2.66 0.00 0.00 176.95 173.01 1p15 s PRO 640 N -2.61 4.66 0.00 3.25 0.02 -1.26 -4.94 135.00 134.12 1p15 s PRO 640 Ca -0.03 1.63 0.29 0.00 0.02 0.00 0.00 61.00 62.91 1p15 s PRO 640 Cb -0.02 -3.29 1.33 0.00 0.02 0.00 0.00 34.50 32.53 1p15 s PRO 640 CO -0.04 0.18 1.93 0.43 -0.33 0.00 0.00 177.00 179.17 1p15 n SER 641 N 2.24 0.31 0.00 2.53 7.64 -1.26 -4.64 113.62 120.43 1p15 n SER 641 Ca 0.02 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1p15 n SER 641 Cb 0.47 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1p15 n SER 641 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1p15 n ASP 642 N -1.07 0.00 0.00 6.43 -0.08 -1.26 -5.09 116.55 115.47 1p15 n ASP 642 Ca 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1p15 n ASP 642 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1p15 n ASP 642 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p15 n GLY 643 N -0.67 -0.59 3.24 0.27 0.00 -1.26 -4.65 105.19 101.54 1p15 n GLY 643 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1p15 n GLY 643 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p15 s LEU 644 N -4.49 0.15 -0.07 0.99 1.43 -1.26 -2.34 118.68 113.08 1p15 s LEU 644 Ca 0.00 0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 53.85 1p15 s LEU 644 Cb 0.00 1.26 0.02 0.00 0.03 0.00 0.00 46.19 47.50 1p15 s LEU 644 CO 0.00 -0.17 0.18 -0.69 0.23 0.00 0.00 176.35 175.90 1p15 s VAL 645 N 1.06 -0.01 0.06 -1.59 1.01 -1.16 -5.00 120.40 114.77 1p15 s VAL 645 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1p15 s VAL 645 Cb -0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1p15 s VAL 645 CO -0.09 0.01 -0.08 -0.44 0.00 0.00 0.00 175.10 174.50 1p15 s SER 646 N 0.30 1.00 -0.32 3.32 0.01 -1.26 -2.81 113.70 113.94 1p15 s SER 646 Ca -0.02 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1p15 s SER 646 Cb -0.03 0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.34 1p15 s SER 646 CO -0.01 -0.24 0.08 -0.31 0.41 0.00 0.00 173.24 173.16 1p15 s TYR 647 N -1.83 2.28 0.00 2.43 2.02 -0.80 -5.04 117.35 116.41 1p15 s TYR 647 Ca -0.05 -2.08 0.00 0.00 -0.37 0.00 0.00 57.07 54.58 1p15 s TYR 647 Cb -0.07 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1p15 s TYR 647 CO -0.00 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.49 1p15 n GLY 648 N 4.68 2.28 0.34 0.71 0.00 -1.26 -2.57 105.19 109.37 1p15 n GLY 648 Ca -0.01 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1p15 n GLY 648 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p15 n ASP 649 N 5.72 1.05 -4.52 1.61 8.00 -1.26 -4.81 116.55 122.34 1p15 n ASP 649 Ca 0.00 -1.43 -0.35 0.00 0.71 0.00 0.00 54.79 53.72 1p15 n ASP 649 Cb 0.00 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 40.96 1p15 n ASP 649 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1p15 s ILE 650 N -1.95 4.32 -0.11 0.53 -5.25 -1.06 -3.59 121.20 114.08 1p15 s ILE 650 Ca 0.38 -0.19 0.01 0.00 -0.99 0.00 0.00 60.65 59.86 1p15 s ILE 650 Cb 0.20 -2.96 -0.01 0.00 2.95 0.00 0.00 42.46 42.64 1p15 s ILE 650 CO 0.31 0.42 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.84 1p15 s THR 651 N 0.85 2.78 -0.11 8.37 2.01 0.18 -1.91 115.64 127.82 1p15 s THR 651 Ca 0.02 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1p15 s THR 651 Cb -0.14 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 1p15 s THR 651 CO 0.02 0.54 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.59 1p15 s VAL 652 N 0.20 2.30 -0.11 3.82 1.01 -1.12 0.30 120.40 126.80 1p15 s VAL 652 Ca -0.10 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1p15 s VAL 652 Cb -0.16 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1p15 s VAL 652 CO 0.06 0.55 -0.18 -0.70 0.00 0.00 0.00 175.10 174.83 1p15 s GLU 653 N 0.36 2.48 -0.51 2.72 2.12 -0.96 -3.00 118.70 121.91 1p15 s GLU 653 Ca -0.17 -0.66 -0.28 0.00 0.36 0.00 0.00 54.97 54.22 1p15 s GLU 653 Cb -0.17 -2.03 -0.00 0.00 0.26 0.00 0.00 34.13 32.18 1p15 s GLU 653 CO 0.08 -0.00 1.61 -1.17 -0.54 0.00 0.00 175.26 175.23 1p15 s LEU 654 N 0.81 3.41 -0.12 2.70 1.98 -0.99 -0.84 118.68 125.63 1p15 s LEU 654 Ca -0.09 0.56 -0.11 0.00 -2.89 0.00 0.00 54.13 51.60 1p15 s LEU 654 Cb -0.16 -3.06 -0.26 0.00 0.66 0.00 0.00 46.19 43.38 1p15 s LEU 654 CO 0.01 -1.86 0.41 0.11 -1.89 0.00 0.00 176.35 173.12 1p15 h LYS 655 N 12.42 0.23 -3.74 1.98 1.79 -0.58 -3.43 116.57 125.24 1p15 h LYS 655 Ca -0.28 -0.40 -0.09 0.00 -2.18 0.00 0.00 60.65 57.70 1p15 h LYS 655 Cb 1.13 0.15 -0.15 0.00 -1.58 0.00 0.00 32.23 31.78 1p15 h LYS 655 CO 1.15 1.19 -0.38 0.15 -1.08 0.00 0.00 179.45 180.48 1p15 s LYS 656 N -2.51 0.80 -0.14 3.15 1.02 -1.00 -4.98 119.74 116.08 1p15 s LYS 656 Ca -0.22 -0.87 -0.13 0.00 0.02 0.00 0.00 55.97 54.77 1p15 s LYS 656 Cb 0.06 0.33 0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1p15 s LYS 656 CO 0.75 -0.25 0.36 -2.00 -0.92 0.00 0.00 175.35 173.30 1p15 s GLU 657 N -3.50 0.42 -0.13 1.68 2.12 -1.26 -0.89 118.70 117.14 1p15 s GLU 657 Ca 0.02 0.51 -0.07 0.00 0.36 0.00 0.00 54.97 55.78 1p15 s GLU 657 Cb 0.03 0.21 0.05 0.00 0.26 0.00 0.00 34.13 34.68 1p15 s GLU 657 CO -0.09 -0.05 0.31 -2.00 -0.54 0.00 0.00 175.26 172.89 1p15 s GLU 658 N 0.20 0.29 -0.93 4.30 2.12 -0.83 -5.01 118.70 118.84 1p15 s GLU 658 Ca -0.00 0.60 -0.15 0.00 0.36 0.00 0.00 54.97 55.78 1p15 s GLU 658 Cb -0.03 -0.04 0.19 0.00 0.26 0.00 0.00 34.13 34.51 1p15 s GLU 658 CO 0.00 -0.14 0.99 -1.21 -0.54 0.00 0.00 175.26 174.36 1p15 s GLU 659 N 1.13 3.71 1.15 4.30 0.41 -1.26 -1.62 118.70 126.51 1p15 s GLU 659 Ca -0.08 -2.30 -0.18 0.00 -0.41 0.00 0.00 54.97 52.00 1p15 s GLU 659 Cb -0.08 -4.67 0.26 0.00 -1.78 0.00 0.00 34.13 27.86 1p15 s GLU 659 CO -0.08 -1.50 1.14 0.00 -0.49 0.00 0.00 175.26 174.33 1p15 h GLU 661 N -2.37 -0.90 -0.01 0.00 5.08 -2.02 -3.31 114.58 111.05 1p15 h GLU 661 Ca -0.45 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1p15 h GLU 661 Cb 1.29 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1p15 h GLU 661 CO 0.37 -0.57 -0.20 -1.13 -1.00 0.00 0.00 179.01 176.48 1p15 n SER 662 N -5.42 1.65 -3.53 1.42 3.41 -1.26 -4.94 113.62 104.95 1p15 n SER 662 Ca -0.13 -1.35 -0.13 0.00 -0.26 0.00 0.00 58.87 57.01 1p15 n SER 662 Cb 0.38 0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1p15 n SER 662 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1p15 s TYR 663 N -2.29 -0.45 -0.16 7.33 1.13 -1.25 -1.11 117.35 120.55 1p15 s TYR 663 Ca 0.27 0.39 -0.04 0.00 -1.41 0.00 0.00 57.07 56.28 1p15 s TYR 663 Cb 0.20 0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 41.43 1p15 s TYR 663 CO 0.45 -0.72 -0.01 0.99 -2.51 0.00 0.00 175.55 173.75 1p15 s THR 664 N -2.99 4.17 -0.29 -3.49 2.01 0.98 -0.86 115.64 115.17 1p15 s THR 664 Ca -0.02 -0.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.62 1p15 s THR 664 Cb -0.00 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1p15 s THR 664 CO -0.06 0.50 0.15 -0.69 -0.69 0.00 0.00 174.62 173.82 1p15 s VAL 665 N 0.24 4.74 -0.18 3.82 1.01 -0.64 0.05 120.40 129.45 1p15 s VAL 665 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1p15 s VAL 665 Cb -0.13 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1p15 s VAL 665 CO 0.02 0.18 -0.16 -0.13 0.00 0.00 0.00 175.10 175.00 1p15 s ARG 666 N 1.66 3.10 -0.30 2.72 0.52 -0.11 -1.97 118.95 124.57 1p15 s ARG 666 Ca 0.06 -0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 54.34 1p15 s ARG 666 Cb -0.16 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1p15 s ARG 666 CO 0.07 -0.15 0.38 -0.51 0.02 0.00 0.00 175.30 175.11 1p15 s ASP 667 N 1.20 6.23 -0.07 0.23 1.11 -0.07 -1.20 116.67 124.11 1p15 s ASP 667 Ca 0.02 0.11 0.02 0.00 0.18 0.00 0.00 52.55 52.88 1p15 s ASP 667 Cb -0.14 -2.21 -0.03 0.00 1.07 0.00 0.00 42.92 41.62 1p15 s ASP 667 CO -0.08 -0.26 -0.12 -0.76 1.18 0.00 0.00 175.17 175.13 1p15 s LEU 668 N 2.09 2.84 -0.46 1.23 1.43 -0.80 0.22 118.68 125.23 1p15 s LEU 668 Ca 0.14 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1p15 s LEU 668 Cb -0.16 -1.60 0.10 0.00 0.03 0.00 0.00 46.19 44.56 1p15 s LEU 668 CO 0.11 0.32 0.33 -0.22 0.23 0.00 0.00 176.35 177.12 1p15 s LEU 669 N -0.55 5.51 -0.11 1.79 2.96 -0.02 -1.72 118.68 126.55 1p15 s LEU 669 Ca 0.08 -1.63 -0.18 0.00 -0.22 0.00 0.00 54.13 52.18 1p15 s LEU 669 Cb -0.12 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1p15 s LEU 669 CO 0.02 -0.64 0.46 0.68 -1.32 0.00 0.00 176.35 175.55 1p15 s VAL 670 N 1.46 5.17 0.16 1.68 -7.23 -0.94 -2.26 120.40 118.45 1p15 s VAL 670 Ca 0.04 0.92 0.07 0.00 -1.81 0.00 0.00 61.98 61.20 1p15 s VAL 670 Cb -0.25 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.85 1p15 s VAL 670 CO 0.02 0.35 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.14 1p15 s THR 671 N 0.45 1.50 0.00 5.32 2.01 0.15 -2.14 115.64 122.92 1p15 s THR 671 Ca 0.25 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.28 1p15 s THR 671 Cb -0.15 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1p15 s THR 671 CO 0.10 -0.53 0.00 0.59 -0.69 0.00 0.00 174.62 174.09 1p15 n ASN 672 N 0.05 0.00 -4.27 3.53 4.13 -1.24 0.49 115.26 117.95 1p15 n ASN 672 Ca -0.12 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.70 1p15 n ASN 672 Cb 0.59 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 1p15 n ASN 672 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1p15 n THR 673 N 0.00 4.57 0.00 3.41 -1.04 -1.24 -4.63 114.28 115.36 1p15 n THR 673 Ca 0.00 -5.14 0.00 0.00 -2.04 0.00 0.00 64.05 56.87 1p15 n THR 673 Cb 0.00 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.07 1p15 n THR 673 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p15 n GLU 675 N 3.56 0.00 -2.04 -2.82 1.02 -1.26 -4.80 120.64 114.30 1p15 n GLU 675 Ca 0.31 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.02 1p15 n GLU 675 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 1p15 n GLU 675 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1p15 n ASN 676 N 0.00 4.43 0.00 1.62 0.23 -1.26 -4.90 115.26 115.37 1p15 n ASN 676 Ca 0.00 -2.95 0.00 0.00 -0.53 0.00 0.00 54.58 51.10 1p15 n ASN 676 Cb 0.00 -1.59 0.00 0.00 -2.08 0.00 0.00 39.78 36.11 1p15 n ASN 676 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1p15 n LYS 677 N 5.36 0.00 -0.74 -3.83 5.02 -1.26 -4.31 118.16 118.40 1p15 n LYS 677 Ca 0.47 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1p15 n LYS 677 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1p15 n LYS 677 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1p15 n SER 678 N 0.00 1.29 -3.64 4.39 7.64 -1.26 -3.69 113.62 118.34 1p15 n SER 678 Ca 0.00 -0.45 -0.06 0.00 1.01 0.00 0.00 58.87 59.37 1p15 n SER 678 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1p15 n SER 678 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1p15 s ARG 679 N 0.04 0.38 -0.09 1.43 3.52 -0.91 -5.00 118.95 118.33 1p15 s ARG 679 Ca 0.00 0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 55.94 1p15 s ARG 679 Cb 0.00 0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.50 1p15 s ARG 679 CO 0.00 -0.05 0.40 -0.65 -0.81 0.00 0.00 175.30 174.19 1p15 s GLN 680 N 0.44 4.16 0.07 5.12 -0.21 -1.26 -2.20 119.66 125.78 1p15 s GLN 680 Ca 0.01 0.33 0.06 0.00 0.02 0.00 0.00 55.36 55.79 1p15 s GLN 680 Cb -0.05 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 1p15 s GLN 680 CO -0.10 0.37 -0.17 0.42 -2.12 0.00 0.00 175.29 173.69 1p15 s ILE 681 N -0.02 1.35 -0.17 1.08 1.01 -0.70 -4.78 121.20 118.98 1p15 s ILE 681 Ca 0.22 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1p15 s ILE 681 Cb -0.15 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.10 1p15 s ILE 681 CO 0.09 -0.10 -0.10 -0.60 0.00 0.00 0.00 174.94 174.24 1p15 s ARG 682 N -1.64 1.93 -0.17 2.79 3.52 0.99 -1.91 118.95 124.45 1p15 s ARG 682 Ca 0.02 -0.61 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 1p15 s ARG 682 Cb -0.10 -2.13 -0.05 0.00 -1.56 0.00 0.00 34.95 31.12 1p15 s ARG 682 CO 0.03 -0.35 0.28 -1.14 -0.81 0.00 0.00 175.30 173.31 1p15 s GLN 683 N 1.51 4.24 -0.42 5.12 0.74 -0.34 -1.52 119.66 129.00 1p15 s GLN 683 Ca 0.02 0.07 -0.08 0.00 0.05 0.00 0.00 55.36 55.42 1p15 s GLN 683 Cb -0.14 -3.44 0.09 0.00 1.10 0.00 0.00 33.01 30.61 1p15 s GLN 683 CO -0.09 0.21 0.25 -0.06 -0.55 0.00 0.00 175.29 175.05 1p15 s PHE 684 N 0.55 3.38 -0.44 1.67 0.08 0.11 -0.93 117.98 122.39 1p15 s PHE 684 Ca 0.16 -1.70 -0.17 0.00 0.12 0.00 0.00 56.93 55.34 1p15 s PHE 684 Cb -0.13 -3.01 0.03 0.00 -0.57 0.00 0.00 43.02 39.35 1p15 s PHE 684 CO 0.04 -0.88 0.43 -1.58 -0.10 0.00 0.00 175.22 173.13 1p15 s HIS 685 N 1.37 3.18 -0.02 0.36 2.46 0.11 -0.88 115.29 121.87 1p15 s HIS 685 Ca 0.04 -0.51 -0.26 0.00 0.47 0.00 0.00 55.06 54.79 1p15 s HIS 685 Cb -0.23 -2.96 -0.04 0.00 -0.13 0.00 0.00 32.58 29.22 1p15 s HIS 685 CO 0.01 -0.74 0.82 0.12 -2.47 0.00 0.00 174.74 172.48 1p15 s PHE 686 N 2.05 3.63 -0.58 3.88 5.36 -0.29 -0.01 117.98 132.03 1p15 s PHE 686 Ca 0.10 1.47 0.06 0.00 -0.96 0.00 0.00 56.93 57.60 1p15 s PHE 686 Cb -0.19 -2.94 0.01 0.00 -0.34 0.00 0.00 43.02 39.56 1p15 s PHE 686 CO 0.12 0.07 0.52 0.72 -1.46 0.00 0.00 175.22 175.19 1p15 n HIS 687 N 3.70 0.00 0.53 10.12 8.25 -0.27 -4.41 115.22 133.14 1p15 n HIS 687 Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1p15 n HIS 687 Cb 0.51 0.00 0.39 0.00 1.12 0.00 0.00 29.99 32.01 1p15 n HIS 687 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p15 n GLY 688 N 0.65 -1.14 3.54 -1.41 0.00 -1.08 -4.65 105.19 101.10 1p15 n GLY 688 Ca 0.03 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1p15 n GLY 688 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p15 s TRP 689 N -3.08 3.23 0.15 1.61 -0.11 -1.26 -4.48 118.94 114.98 1p15 s TRP 689 Ca 0.07 -0.13 -0.30 0.00 1.22 0.00 0.00 56.10 56.96 1p15 s TRP 689 Cb 0.10 -2.45 -0.07 0.00 -1.50 0.00 0.00 33.47 29.56 1p15 s TRP 689 CO 0.33 -0.31 1.01 -1.25 -4.62 0.00 0.00 176.95 172.11 1p15 s PRO 690 N 1.73 4.67 -0.56 5.86 0.04 -1.26 -4.95 135.00 140.53 1p15 s PRO 690 Ca 0.06 1.55 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 1p15 s PRO 690 Cb -0.17 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.07 1p15 s PRO 690 CO 0.11 0.19 1.13 -2.00 0.04 0.00 0.00 177.00 176.46 1p15 s GLU 691 N -0.22 3.50 0.00 4.56 2.12 -1.26 -4.19 118.70 123.21 1p15 s GLU 691 Ca 0.47 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.99 1p15 s GLU 691 Cb -0.26 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.13 1p15 s GLU 691 CO 0.32 -1.59 0.00 0.28 -0.54 0.00 0.00 175.26 173.72 1p15 n VAL 692 N 6.59 0.00 -0.21 3.70 0.31 -1.26 -4.86 118.33 122.60 1p15 n VAL 692 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1p15 n VAL 692 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 1p15 n VAL 692 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p15 n GLY 693 N 0.61 -2.82 3.35 2.92 0.00 -1.26 -5.00 105.19 102.99 1p15 n GLY 693 Ca 0.00 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 1p15 n GLY 693 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p15 s ILE 694 N -0.44 1.98 -0.16 -0.61 -1.09 -1.26 -4.72 121.20 114.89 1p15 s ILE 694 Ca 0.00 -1.78 -0.34 0.00 -2.23 0.00 0.00 60.65 56.31 1p15 s ILE 694 Cb 0.00 -1.83 -0.11 0.00 -1.58 0.00 0.00 42.46 38.94 1p15 s ILE 694 CO 0.00 -0.10 1.97 -0.81 -1.23 0.00 0.00 174.94 174.77 1p15 n PRO 695 N 0.69 1.93 0.00 2.79 -0.04 -1.26 -4.75 135.00 134.36 1p15 n PRO 695 Ca -0.16 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1p15 n PRO 695 Cb 0.55 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1p15 n PRO 695 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1p15 n SER 696 N 7.73 0.47 -3.60 3.54 2.88 -1.26 -4.57 113.62 118.80 1p15 n SER 696 Ca 0.27 -0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 57.09 1p15 n SER 696 Cb 0.29 -0.14 -0.07 0.00 -0.75 0.00 0.00 64.21 63.54 1p15 n SER 696 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1p15 s ASP 697 N -0.17 -0.62 0.04 -3.46 -4.77 -1.26 -5.03 116.67 101.40 1p15 s ASP 697 Ca 0.00 1.04 0.24 0.00 -3.30 0.00 0.00 52.55 50.53 1p15 s ASP 697 Cb 0.00 1.00 0.29 0.00 -1.09 0.00 0.00 42.92 43.12 1p15 s ASP 697 CO 0.00 -0.32 1.25 0.61 0.70 0.00 0.00 175.17 177.41 1p15 n GLY 698 N 1.98 -1.26 0.35 2.12 0.00 -1.26 -4.47 105.19 102.64 1p15 n GLY 698 Ca -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1p15 n GLY 698 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1p15 n LYS 699 N -1.78 -0.18 0.05 1.61 4.81 -1.26 -1.22 118.16 120.20 1p15 n LYS 699 Ca 0.04 1.43 -0.20 0.00 -0.87 0.00 0.00 58.31 58.71 1p15 n LYS 699 Cb 0.39 -2.13 -0.12 0.00 0.02 0.00 0.00 35.03 33.19 1p15 n LYS 699 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1p15 h GLY 700 N 0.00 0.63 0.52 3.14 0.00 -2.00 -3.05 103.07 102.31 1p15 h GLY 700 Ca 0.36 -1.21 0.09 0.00 0.00 0.00 0.00 47.33 46.56 1p15 h GLY 700 CO -0.93 1.07 0.36 1.98 0.00 0.00 0.00 176.54 179.01 1p15 h MET 701 N 0.15 0.60 -0.77 4.80 1.85 -1.64 -0.94 114.93 118.99 1p15 h MET 701 Ca -0.14 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 58.92 1p15 h MET 701 Cb 1.66 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 33.52 1p15 h MET 701 CO 0.19 0.40 0.46 0.82 -0.40 0.00 0.00 176.91 178.38 1p15 h ILE 702 N 0.62 1.21 0.00 1.77 2.04 -1.22 -1.58 117.51 120.35 1p15 h ILE 702 Ca 0.34 -0.46 -0.18 0.00 1.00 0.00 0.00 64.86 65.56 1p15 h ILE 702 Cb 0.33 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1p15 h ILE 702 CO -0.25 0.22 -0.87 0.78 0.00 0.00 0.00 178.15 178.03 1p15 h ASN 703 N 1.05 0.00 1.56 1.72 4.21 -1.11 -2.62 115.58 120.39 1p15 h ASN 703 Ca 0.28 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.74 1p15 h ASN 703 Cb -0.05 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 1p15 h ASN 703 CO -0.05 0.87 -0.46 -0.29 -1.29 0.00 0.00 177.43 176.21 1p15 h ILE 704 N 0.00 0.31 -0.25 2.81 2.10 -1.07 -2.09 117.51 119.31 1p15 h ILE 704 Ca -0.01 -1.46 -0.17 0.00 1.08 0.00 0.00 64.86 64.30 1p15 h ILE 704 Cb 1.59 2.05 -0.00 0.00 -1.09 0.00 0.00 36.82 39.37 1p15 h ILE 704 CO 0.11 0.18 -0.51 0.40 -1.08 0.00 0.00 178.15 177.25 1p15 h ILE 705 N 0.00 1.30 -0.09 2.19 2.04 -1.26 -1.79 117.51 119.91 1p15 h ILE 705 Ca -0.02 -1.72 -0.15 0.00 1.00 0.00 0.00 64.86 63.98 1p15 h ILE 705 Cb 1.17 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1p15 h ILE 705 CO 0.02 0.55 -0.59 0.00 0.00 0.00 0.00 178.15 178.13 1p15 h ALA 706 N 0.88 0.84 -0.27 1.87 0.00 -1.42 -1.13 119.26 120.02 1p15 h ALA 706 Ca 0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 1p15 h ALA 706 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1p15 h ALA 706 CO 0.11 0.72 -0.49 0.00 0.00 0.00 0.00 179.25 179.58 1p15 h ALA 707 N 1.17 0.42 -0.38 0.00 0.00 -1.28 -2.71 119.26 116.48 1p15 h ALA 707 Ca -0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1p15 h ALA 707 Cb 1.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1p15 h ALA 707 CO 0.09 0.59 -0.21 0.28 0.00 0.00 0.00 179.25 180.00 1p15 h VAL 708 N 0.56 1.28 0.00 0.00 2.07 -1.26 -2.49 116.25 116.42 1p15 h VAL 708 Ca 0.02 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1p15 h VAL 708 Cb 1.09 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1p15 h VAL 708 CO 0.11 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1p15 n GLN 709 N -4.24 0.62 -0.08 1.57 1.13 -0.43 -2.02 117.38 113.93 1p15 n GLN 709 Ca -0.02 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.92 1p15 n GLN 709 Cb 0.44 -1.42 -0.07 0.00 0.11 0.00 0.00 30.24 29.29 1p15 n GLN 709 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1p15 n LYS 710 N -0.92 0.40 0.04 -1.09 4.81 -0.97 -4.14 118.16 116.29 1p15 n LYS 710 Ca 0.13 0.10 -0.08 0.00 -0.87 0.00 0.00 58.31 57.58 1p15 n LYS 710 Cb 0.06 -1.30 0.07 0.00 0.02 0.00 0.00 35.03 33.88 1p15 n LYS 710 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1p15 h GLN 711 N -0.06 0.41 0.00 1.64 4.15 -1.42 -1.71 115.11 118.11 1p15 h GLN 711 Ca -0.37 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 58.77 1p15 h GLN 711 Cb 1.54 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.27 1p15 h GLN 711 CO -0.08 0.90 0.00 0.94 -1.93 0.00 0.00 178.83 178.66 1p15 n GLN 712 N -3.90 0.11 0.00 1.69 -0.06 -0.86 -2.00 117.38 112.36 1p15 n GLN 712 Ca -0.03 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.50 1p15 n GLN 712 Cb 0.64 -1.82 0.00 0.00 -4.06 0.00 0.00 30.24 25.00 1p15 n GLN 712 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1p15 n GLN 713 N -2.05 0.00 -3.04 3.69 7.27 -0.64 -3.23 117.38 119.38 1p15 n GLN 713 Ca -0.00 0.44 -0.44 0.00 0.07 0.00 0.00 57.00 57.06 1p15 n GLN 713 Cb 0.08 -1.25 -0.01 0.00 2.41 0.00 0.00 30.24 31.46 1p15 n GLN 713 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1p15 s GLN 714 N -2.06 3.81 0.00 3.69 0.74 -0.85 -3.58 119.66 121.40 1p15 s GLN 714 Ca 0.00 -2.26 0.00 0.00 0.05 0.00 0.00 55.36 53.15 1p15 s GLN 714 Cb 0.00 -4.85 0.00 0.00 1.10 0.00 0.00 33.01 29.26 1p15 s GLN 714 CO 0.00 -1.64 0.00 0.43 -0.55 0.00 0.00 175.29 173.53 1p15 n SER 715 N 5.50 0.00 0.00 6.67 7.64 -1.20 -4.90 113.62 127.33 1p15 n SER 715 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1p15 n SER 715 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1p15 n SER 715 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p15 n GLY 716 N -0.20 1.65 3.40 0.23 0.00 -1.23 -4.70 105.19 104.33 1p15 n GLY 716 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1p15 n GLY 716 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p15 n ASN 717 N 0.00 -6.42 -4.80 1.61 4.05 -1.20 -5.01 115.26 103.49 1p15 n ASN 717 Ca 0.00 -0.57 -0.22 0.00 0.45 0.00 0.00 54.58 54.24 1p15 n ASN 717 Cb 0.00 -4.01 -0.05 0.00 1.23 0.00 0.00 39.78 36.95 1p15 n ASN 717 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1p15 s HIS 718 N -3.15 2.94 0.29 1.20 3.76 -1.26 -5.08 115.29 113.98 1p15 s HIS 718 Ca 0.17 -0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.56 1p15 s HIS 718 Cb -0.05 -1.55 -0.13 0.00 1.11 0.00 0.00 32.58 31.96 1p15 s HIS 718 CO 0.81 0.39 1.26 -2.30 -0.85 0.00 0.00 174.74 174.05 1p15 n PRO 719 N -1.21 1.90 -3.54 8.40 -0.02 -1.26 -4.83 135.00 134.43 1p15 n PRO 719 Ca -0.05 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 1p15 n PRO 719 Cb 0.59 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1p15 n PRO 719 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1p15 s ILE 720 N -0.74 5.28 -0.48 4.25 1.01 -0.35 -4.07 121.20 126.10 1p15 s ILE 720 Ca 0.61 0.32 -0.27 0.00 0.00 0.00 0.00 60.65 61.30 1p15 s ILE 720 Cb -0.63 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1p15 s ILE 720 CO 0.58 0.26 1.03 -0.89 0.00 0.00 0.00 174.94 175.91 1p15 s THR 721 N 1.58 4.33 -0.16 2.92 2.01 -0.36 -1.57 115.64 124.40 1p15 s THR 721 Ca 0.10 0.95 -0.02 0.00 0.31 0.00 0.00 61.69 63.03 1p15 s THR 721 Cb -0.15 -4.53 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 1p15 s THR 721 CO 0.09 -0.95 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.29 1p15 s VAL 722 N 4.13 3.26 0.06 3.82 1.01 -0.65 0.13 120.40 132.15 1p15 s VAL 722 Ca 0.42 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 1p15 s VAL 722 Cb -0.09 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1p15 s VAL 722 CO 0.29 0.50 0.20 -1.38 0.00 0.00 0.00 175.10 174.70 1p15 s HIS 723 N 0.64 0.07 0.00 5.22 -3.43 -0.32 -0.80 115.29 116.67 1p15 s HIS 723 Ca -0.05 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 53.86 1p15 s HIS 723 Cb -0.15 -0.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.97 1p15 s HIS 723 CO 0.03 -0.47 0.00 0.00 -2.00 0.00 0.00 174.74 172.30 1p15 n SER 725 N 0.00 0.20 0.01 0.00 2.88 -1.26 -3.57 113.62 111.88 1p15 n SER 725 Ca 0.00 0.03 -0.10 0.00 -1.33 0.00 0.00 58.87 57.46 1p15 n SER 725 Cb 0.00 -0.07 -0.14 0.00 -0.75 0.00 0.00 64.21 63.26 1p15 n SER 725 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p15 h ALA 726 N -0.03 0.58 0.00 -1.46 0.00 -1.91 0.41 119.26 116.86 1p15 h ALA 726 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1p15 h ALA 726 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1p15 h ALA 726 CO 0.00 1.43 0.00 0.41 0.00 0.00 0.00 179.25 181.09 1p15 n GLY 727 N 1.55 1.74 1.46 0.00 0.00 -1.25 -3.63 105.19 105.07 1p15 n GLY 727 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1p15 n GLY 727 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p15 n ALA 728 N -1.21 3.00 -1.00 4.61 0.00 -1.26 -4.51 120.51 120.14 1p15 n ALA 728 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p15 n ALA 728 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1p15 n ALA 728 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p15 n GLY 729 N 2.57 -3.09 0.26 0.00 0.00 -1.25 0.26 105.19 103.94 1p15 n GLY 729 Ca 0.00 0.57 0.04 0.00 0.00 0.00 0.00 46.02 46.62 1p15 n GLY 729 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p15 h ARG 730 N 0.00 0.28 -0.02 1.61 3.08 -1.94 -2.20 114.38 115.19 1p15 h ARG 730 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1p15 h ARG 730 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1p15 h ARG 730 CO 0.00 0.31 -0.01 1.15 -1.07 0.00 0.00 179.97 180.35 1p15 h THR 731 N 0.27 1.33 0.00 2.04 2.02 -1.82 -2.71 112.91 114.04 1p15 h THR 731 Ca 0.07 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1p15 h THR 731 Cb 0.20 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1p15 h THR 731 CO 0.00 0.26 -0.14 1.23 0.37 0.00 0.00 175.52 177.24 1p15 h GLY 732 N -0.36 0.00 1.99 2.16 0.00 0.38 -1.51 103.07 105.73 1p15 h GLY 732 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1p15 h GLY 732 CO 0.00 0.00 -0.82 -0.84 0.00 0.00 0.00 176.54 174.89 1p15 h THR 733 N 0.00 1.58 0.12 4.70 2.02 -1.37 -0.23 112.91 119.74 1p15 h THR 733 Ca -0.00 -2.78 -0.26 0.00 0.77 0.00 0.00 66.41 64.13 1p15 h THR 733 Cb 0.37 2.50 0.03 0.00 -1.74 0.00 0.00 68.15 69.31 1p15 h THR 733 CO 0.02 0.80 -1.09 0.15 0.37 0.00 0.00 175.52 175.76 1p15 h PHE 734 N 0.00 0.87 -0.24 3.16 3.57 -1.02 -2.60 116.94 120.68 1p15 h PHE 734 Ca -0.01 -0.56 -0.06 0.00 3.53 0.00 0.00 57.97 60.87 1p15 h PHE 734 Cb 1.44 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1p15 h PHE 734 CO 0.00 1.41 -0.09 0.00 -2.23 0.00 0.00 178.31 177.40 1p15 h ALA 736 N 0.74 -0.65 -0.37 0.00 0.00 -1.13 -2.48 119.26 115.36 1p15 h ALA 736 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1p15 h ALA 736 Cb 0.57 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1p15 h ALA 736 CO 0.03 -0.87 0.16 -0.07 0.00 0.00 0.00 179.25 178.49 1p15 h LEU 737 N -0.65 0.51 -0.59 0.00 3.38 -1.51 -1.72 115.31 114.72 1p15 h LEU 737 Ca -0.06 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 57.88 1p15 h LEU 737 Cb 0.52 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1p15 h LEU 737 CO 0.08 0.52 0.01 -1.28 0.09 0.00 0.00 178.44 177.86 1p15 h SER 738 N 0.46 -0.25 1.25 -0.43 0.87 -1.04 0.60 113.55 115.01 1p15 h SER 738 Ca 0.12 0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 1p15 h SER 738 Cb 0.17 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1p15 h SER 738 CO -0.01 -0.10 -0.70 0.71 -0.53 0.00 0.00 176.83 176.20 1p15 h THR 739 N 0.12 1.22 -0.21 2.23 1.35 -1.38 -2.96 112.91 113.28 1p15 h THR 739 Ca 0.31 -2.66 -0.18 0.00 -0.55 0.00 0.00 66.41 63.33 1p15 h THR 739 Cb 0.49 2.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1p15 h THR 739 CO -0.50 0.68 -0.58 0.58 -0.25 0.00 0.00 175.52 175.45 1p15 h VAL 740 N 0.00 1.30 0.00 6.82 2.07 -0.31 -0.83 116.25 125.31 1p15 h VAL 740 Ca -0.01 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 1p15 h VAL 740 Cb 1.51 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1p15 h VAL 740 CO 0.09 0.57 -0.04 -0.07 0.02 0.00 0.00 177.57 178.14 1p15 h LEU 741 N 0.51 0.00 0.18 2.57 3.38 0.15 0.19 115.31 122.29 1p15 h LEU 741 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1p15 h LEU 741 Cb 1.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.92 1p15 h LEU 741 CO 0.12 0.04 -1.66 -0.33 0.09 0.00 0.00 178.44 176.69 1p15 h GLU 742 N 0.00 0.38 0.53 1.13 5.08 -1.33 -2.99 114.58 117.38 1p15 h GLU 742 Ca -0.00 -0.65 -0.03 0.00 -1.00 0.00 0.00 59.36 57.69 1p15 h GLU 742 Cb 0.66 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1p15 h GLU 742 CO 0.01 1.29 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.95 1p15 h ARG 743 N 0.10 -0.69 -0.93 2.33 2.43 -0.94 0.27 114.38 116.96 1p15 h ARG 743 Ca -0.31 0.05 0.27 0.00 -0.81 0.00 0.00 59.98 59.17 1p15 h ARG 743 Cb 2.09 0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 31.65 1p15 h ARG 743 CO 0.19 -0.39 0.36 0.28 -1.51 0.00 0.00 179.97 178.90 1p15 h VAL 744 N -0.92 0.31 0.07 0.20 2.07 -1.01 0.27 116.25 117.23 1p15 h VAL 744 Ca -0.07 -0.09 -0.24 0.00 0.82 0.00 0.00 66.70 67.11 1p15 h VAL 744 Cb 0.62 0.03 0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1p15 h VAL 744 CO 0.12 0.05 -0.99 0.50 0.02 0.00 0.00 177.57 177.26 1p15 h LYS 745 N 0.26 0.56 0.28 1.57 3.64 -1.32 0.09 116.57 121.65 1p15 h LYS 745 Ca 0.62 -0.69 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1p15 h LYS 745 Cb 1.31 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1p15 h LYS 745 CO -0.64 1.29 -0.14 0.00 -2.27 0.00 0.00 179.45 177.70 1p15 h ALA 746 N 0.30 -0.38 0.03 5.00 0.00 0.77 -3.40 119.26 121.58 1p15 h ALA 746 Ca -0.14 -0.17 -0.38 0.00 0.00 0.00 0.00 54.91 54.22 1p15 h ALA 746 Cb 1.69 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 1p15 h ALA 746 CO 0.19 -0.41 -2.21 0.39 0.00 0.00 0.00 179.25 177.21 1p15 n GLU 747 N -5.04 0.66 0.00 0.00 1.02 0.79 -5.01 120.64 113.06 1p15 n GLU 747 Ca -0.07 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1p15 n GLU 747 Cb 0.24 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1p15 n GLU 747 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p15 n GLY 748 N 1.88 1.16 3.32 0.62 0.00 0.02 -4.97 105.19 107.21 1p15 n GLY 748 Ca -0.42 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1p15 n GLY 748 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p15 s ILE 749 N -2.00 3.72 -0.44 -0.61 1.01 -1.25 -4.81 121.20 116.82 1p15 s ILE 749 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 1p15 s ILE 749 Cb 0.00 -2.88 0.02 0.00 0.01 0.00 0.00 42.46 39.62 1p15 s ILE 749 CO 0.00 0.16 0.63 -0.76 0.00 0.00 0.00 174.94 174.96 1p15 s LEU 750 N 1.47 4.54 -0.75 2.97 1.02 -1.26 -3.57 118.68 123.09 1p15 s LEU 750 Ca 0.03 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.83 1p15 s LEU 750 Cb -0.17 -2.70 0.33 0.00 0.02 0.00 0.00 46.19 43.68 1p15 s LEU 750 CO 0.01 -0.77 1.28 0.47 0.02 0.00 0.00 176.35 177.36 1p15 n ASP 751 N 6.21 5.58 -0.08 2.29 8.00 -1.26 -4.86 116.55 132.44 1p15 n ASP 751 Ca -0.02 -3.69 -0.07 0.00 0.71 0.00 0.00 54.79 51.73 1p15 n ASP 751 Cb 0.48 -0.80 -0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1p15 n ASP 751 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1p15 h VAL 752 N 2.70 0.75 0.33 2.53 2.07 -1.96 0.70 116.25 123.37 1p15 h VAL 752 Ca 0.29 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1p15 h VAL 752 Cb 0.43 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1p15 h VAL 752 CO 0.96 0.01 -0.22 0.15 0.02 0.00 0.00 177.57 178.49 1p15 h PHE 753 N 0.04 -0.59 -0.89 1.57 3.57 -1.99 -0.14 116.94 118.53 1p15 h PHE 753 Ca 0.14 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.76 1p15 h PHE 753 Cb 0.20 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1p15 h PHE 753 CO -0.25 -0.32 0.57 1.96 -2.23 0.00 0.00 178.31 178.04 1p15 h GLN 754 N -0.52 0.74 0.54 1.11 1.08 -1.94 0.41 115.11 116.53 1p15 h GLN 754 Ca -0.04 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 1p15 h GLN 754 Cb 0.42 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1p15 h GLN 754 CO 0.04 0.49 -0.26 1.15 -0.95 0.00 0.00 178.83 179.29 1p15 h THR 755 N 0.76 0.00 -0.74 -0.54 2.02 0.55 -0.77 112.91 114.19 1p15 h THR 755 Ca 0.44 -0.10 0.21 0.00 0.77 0.00 0.00 66.41 67.73 1p15 h THR 755 Cb 0.61 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1p15 h THR 755 CO -0.20 0.00 0.53 0.58 0.37 0.00 0.00 175.52 176.80 1p15 h VAL 756 N -0.82 0.64 -0.27 3.16 2.07 -0.61 0.13 116.25 120.54 1p15 h VAL 756 Ca -0.07 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1p15 h VAL 756 Cb 0.56 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1p15 h VAL 756 CO 0.12 0.01 -0.14 0.50 0.02 0.00 0.00 177.57 178.08 1p15 h LYS 757 N 0.03 0.58 0.00 1.57 3.64 0.01 -2.04 116.57 120.35 1p15 h LYS 757 Ca 0.35 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1p15 h LYS 757 Cb 1.37 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1p15 h LYS 757 CO -0.02 0.82 -0.06 0.77 -2.27 0.00 0.00 179.45 178.69 1p15 h SER 758 N 0.31 0.00 -0.03 4.20 0.02 0.75 -2.12 113.55 116.68 1p15 h SER 758 Ca 0.06 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 1p15 h SER 758 Cb 0.65 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.20 1p15 h SER 758 CO 0.04 0.06 -0.55 -0.07 -1.14 0.00 0.00 176.83 175.18 1p15 h LEU 759 N 0.00 0.54 -1.82 5.07 -0.00 -0.87 -3.24 115.31 114.99 1p15 h LEU 759 Ca -0.00 -0.72 -0.02 0.00 -0.00 0.00 0.00 57.88 57.14 1p15 h LEU 759 Cb 0.29 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1p15 h LEU 759 CO 0.01 1.18 -0.11 0.03 -0.00 0.00 0.00 178.44 179.55 1p15 h ARG 760 N -0.05 0.00 -0.00 1.13 3.08 -0.71 -2.00 114.38 115.82 1p15 h ARG 760 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1p15 h ARG 760 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1p15 h ARG 760 CO 0.11 0.11 -0.05 1.28 -1.07 0.00 0.00 179.97 180.36 1p15 n LEU 761 N -4.30 0.36 -0.03 3.04 4.32 -1.04 -3.95 117.00 115.41 1p15 n LEU 761 Ca -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.94 1p15 n LEU 761 Cb 0.19 -0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 41.79 1p15 n LEU 761 CO 0.35 0.06 -0.73 0.00 -1.22 0.00 0.00 177.39 175.85 1p15 n GLN 762 N -0.90 2.16 -3.76 3.23 6.02 -0.79 -5.02 117.38 118.32 1p15 n GLN 762 Ca 0.18 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 1p15 n GLN 762 Cb 0.23 -1.20 -0.13 0.00 1.02 0.00 0.00 30.24 30.16 1p15 n GLN 762 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1p15 s ARG 763 N -2.28 0.21 0.07 -1.09 6.06 -0.97 -4.53 118.95 116.42 1p15 s ARG 763 Ca -0.04 0.43 -0.30 0.00 -2.50 0.00 0.00 55.73 53.32 1p15 s ARG 763 Cb 0.03 -0.04 -0.09 0.00 0.06 0.00 0.00 34.95 34.91 1p15 s ARG 763 CO 0.33 -0.11 1.87 -1.25 -2.50 0.00 0.00 175.30 173.64 1p15 s PRO 764 N 0.83 4.15 -0.42 5.12 0.04 -1.26 -2.95 135.00 140.50 1p15 s PRO 764 Ca -0.06 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1p15 s PRO 764 Cb -0.07 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1p15 s PRO 764 CO -0.05 -0.89 0.00 0.72 0.04 0.00 0.00 177.00 176.82 1p15 n HIS 765 N 6.64 -0.04 -1.79 0.56 8.25 -1.26 -4.74 115.22 122.84 1p15 n HIS 765 Ca 0.19 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.25 1p15 n HIS 765 Cb 0.40 -1.20 -0.03 0.00 1.12 0.00 0.00 29.99 30.28 1p15 n HIS 765 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1p15 s MET 766 N -2.76 2.78 0.00 -0.41 1.75 -1.15 -2.71 119.30 116.80 1p15 s MET 766 Ca 0.00 1.39 0.00 0.00 -1.25 0.00 0.00 55.69 55.83 1p15 s MET 766 Cb 0.00 -4.39 0.00 0.00 2.84 0.00 0.00 34.83 33.28 1p15 s MET 766 CO 0.00 -2.52 0.00 0.28 -0.65 0.00 0.00 175.02 172.13 1p15 n VAL 767 N 7.63 -1.74 0.00 10.11 0.31 -1.18 -4.43 118.33 129.03 1p15 n VAL 767 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1p15 n VAL 767 Cb 0.50 -3.64 0.00 0.00 -0.91 0.00 0.00 33.84 29.79 1p15 n VAL 767 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p15 n GLN 768 N -0.52 0.00 -0.81 5.55 6.02 -1.10 -4.91 117.38 121.62 1p15 n GLN 768 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1p15 n GLN 768 Cb 0.05 -0.67 0.23 0.00 1.02 0.00 0.00 30.24 30.88 1p15 n GLN 768 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1p15 s THR 769 N -0.44 1.86 0.14 5.09 -4.23 -1.26 -4.95 115.64 111.85 1p15 s THR 769 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1p15 s THR 769 Cb 0.00 -2.27 -0.19 0.00 1.34 0.00 0.00 72.50 71.39 1p15 s THR 769 CO 0.00 0.00 1.31 0.25 -0.54 0.00 0.00 174.62 175.64 1p15 h LEU 770 N -2.50 0.21 -1.08 4.79 5.85 -1.99 -3.14 115.31 117.45 1p15 h LEU 770 Ca -0.56 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.09 1p15 h LEU 770 Cb 1.33 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 1p15 h LEU 770 CO 0.49 1.06 0.62 -0.33 -0.34 0.00 0.00 178.44 179.94 1p15 h GLU 771 N 0.07 0.91 0.01 1.25 4.39 -1.98 0.07 114.58 119.30 1p15 h GLU 771 Ca -0.05 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.40 1p15 h GLU 771 Cb 1.65 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 1p15 h GLU 771 CO 0.14 0.60 -0.90 1.96 -1.16 0.00 0.00 179.01 179.66 1p15 h GLN 772 N 0.93 0.12 0.01 2.33 4.20 -1.93 -1.79 115.11 118.99 1p15 h GLN 772 Ca 0.48 -0.15 -0.23 0.00 0.06 0.00 0.00 58.65 58.81 1p15 h GLN 772 Cb 0.52 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1p15 h GLN 772 CO -0.25 0.94 -0.97 -0.92 -0.67 0.00 0.00 178.83 176.96 1p15 h TYR 773 N 0.06 0.61 0.00 2.96 3.20 -1.35 -1.82 116.97 120.63 1p15 h TYR 773 Ca -0.04 -0.34 -0.09 0.00 3.14 0.00 0.00 58.73 61.41 1p15 h TYR 773 Cb 1.55 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 1p15 h TYR 773 CO 0.02 1.17 -0.40 0.93 -1.64 0.00 0.00 178.16 178.23 1p15 h GLU 774 N 0.22 0.00 -0.05 1.82 5.08 -1.05 -2.80 114.58 117.80 1p15 h GLU 774 Ca -0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 1p15 h GLU 774 Cb 1.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1p15 h GLU 774 CO 0.17 0.40 -0.57 0.35 -1.00 0.00 0.00 179.01 178.36 1p15 h PHE 775 N 0.00 0.18 -0.11 4.33 3.57 -1.01 -1.08 116.94 122.83 1p15 h PHE 775 Ca -0.00 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 1p15 h PHE 775 Cb 1.02 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1p15 h PHE 775 CO 0.00 0.68 -0.12 0.00 -2.23 0.00 0.00 178.31 176.64 1p15 h TYR 777 N -0.15 0.87 0.20 0.00 0.05 -1.53 -1.12 116.97 115.30 1p15 h TYR 777 Ca 0.01 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1p15 h TYR 777 Cb 0.66 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 1p15 h TYR 777 CO 0.09 0.58 -0.48 -0.22 -1.05 0.00 0.00 178.16 177.09 1p15 h LYS 778 N 0.90 -0.72 -0.13 4.88 3.64 -1.05 -1.63 116.57 122.45 1p15 h LYS 778 Ca 0.24 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1p15 h LYS 778 Cb -0.03 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1p15 h LYS 778 CO -0.04 -0.48 -0.08 0.28 -2.27 0.00 0.00 179.45 176.85 1p15 h VAL 779 N -0.75 1.14 -0.13 2.00 2.07 -0.76 -2.31 116.25 117.51 1p15 h VAL 779 Ca -0.02 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 1p15 h VAL 779 Cb 0.72 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1p15 h VAL 779 CO -0.21 0.19 -0.50 0.58 0.02 0.00 0.00 177.57 177.64 1p15 h VAL 780 N 0.19 1.34 -0.46 2.57 2.07 -0.90 -1.37 116.25 119.68 1p15 h VAL 780 Ca 0.04 -1.74 -0.10 0.00 0.82 0.00 0.00 66.70 65.72 1p15 h VAL 780 Cb 0.27 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1p15 h VAL 780 CO 0.01 0.53 -0.11 -0.61 0.02 0.00 0.00 177.57 177.41 1p15 h GLN 781 N 0.28 0.89 -0.74 1.57 5.75 -0.78 -1.89 115.11 120.19 1p15 h GLN 781 Ca 0.01 -0.34 -0.03 0.00 -0.15 0.00 0.00 58.65 58.14 1p15 h GLN 781 Cb 0.98 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.45 1p15 h GLN 781 CO 0.08 0.99 0.35 0.93 -2.65 0.00 0.00 178.83 178.53 1p15 h GLU 782 N 0.73 1.06 -0.26 1.69 3.07 -1.27 -1.13 114.58 118.47 1p15 h GLU 782 Ca 0.12 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1p15 h GLU 782 Cb 0.66 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1p15 h GLU 782 CO 0.05 0.82 0.17 -0.92 -1.40 0.00 0.00 179.01 177.72 1p15 h TYR 783 N 1.05 0.32 -0.11 4.33 3.20 -0.68 -3.10 116.97 121.98 1p15 h TYR 783 Ca 0.26 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 1p15 h TYR 783 Cb 0.11 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1p15 h TYR 783 CO 0.01 0.20 -0.24 -0.84 -1.64 0.00 0.00 178.16 175.65 1p15 h ILE 784 N 0.35 1.39 -1.64 1.81 3.07 -1.14 -3.40 117.51 117.94 1p15 h ILE 784 Ca 0.10 -1.55 -0.62 0.00 1.55 0.00 0.00 64.86 64.34 1p15 h ILE 784 Cb -0.04 2.13 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1p15 h ILE 784 CO -0.02 0.45 1.47 0.47 -1.05 0.00 0.00 178.15 179.46 1p15 n ASP 785 N -4.48 2.83 0.00 2.16 10.43 -0.45 0.60 116.55 127.65 1p15 n ASP 785 Ca -0.07 0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.56 1p15 n ASP 785 Cb 0.44 -1.45 0.00 0.00 1.84 0.00 0.00 41.12 41.95 1p15 n ASP 785 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1p15 n ALA 786 N 11.05 0.00 -1.00 2.24 0.00 -1.26 -4.86 120.51 126.68 1p15 n ALA 786 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1p15 n ALA 786 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1p15 n ALA 786 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1p15 n PHE 787 N 0.00 0.00 0.95 0.00 3.01 0.20 -5.23 117.46 116.39 1p15 n PHE 787 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1p15 n PHE 787 Cb 0.00 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 39.92 1p15 n PHE 787 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64