#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0y s ARG 549 N 0.00 0.76 0.56 5.55 1.81 -1.26 -4.51 118.95 121.85 2i0y s ARG 549 Ca 0.00 -1.01 -0.21 0.00 -1.72 0.00 0.00 55.73 52.79 2i0y s ARG 549 Cb 0.00 -0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 33.93 2i0y s ARG 549 CO 0.00 0.09 1.30 -1.58 -0.68 0.00 0.00 175.30 174.43 2i0y s TRP 550 N -1.94 2.34 -0.23 -0.53 0.52 -1.26 -4.75 118.94 113.08 2i0y s TRP 550 Ca -0.00 1.44 -0.19 0.00 0.02 0.00 0.00 56.10 57.36 2i0y s TRP 550 Cb -0.06 -3.67 0.06 0.00 -1.15 0.00 0.00 33.47 28.65 2i0y s TRP 550 CO 0.00 -2.61 0.60 0.21 0.02 0.00 0.00 176.95 175.18 2i0y s LYS 551 N -3.04 0.68 -0.14 4.98 2.20 -0.79 -4.98 119.74 118.65 2i0y s LYS 551 Ca 0.74 0.90 -0.24 0.00 -0.36 0.00 0.00 55.97 57.01 2i0y s LYS 551 Cb -0.37 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 2i0y s LYS 551 CO 0.42 -0.10 0.74 0.42 -0.36 0.00 0.00 175.35 176.47 2i0y s ILE 552 N 0.62 4.97 0.52 5.43 -1.09 -1.26 -0.77 121.20 129.62 2i0y s ILE 552 Ca -0.02 1.47 0.06 0.00 -2.23 0.00 0.00 60.65 59.92 2i0y s ILE 552 Cb -0.05 -4.06 0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2i0y s ILE 552 CO -0.04 0.12 0.37 0.27 -1.23 0.00 0.00 174.94 174.43 2i0y s ILE 553 N 1.65 1.75 -0.20 2.92 -4.36 0.21 -5.00 121.20 118.17 2i0y s ILE 553 Ca 0.36 -1.52 -0.16 0.00 -0.26 0.00 0.00 60.65 59.07 2i0y s ILE 553 Cb -0.17 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 2i0y s ILE 553 CO 0.14 0.00 0.41 -1.61 0.24 0.00 0.00 174.94 174.11 2i0y s GLU 554 N -4.22 4.17 0.18 0.37 2.02 -1.26 -4.84 118.70 115.11 2i0y s GLU 554 Ca 0.34 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.54 2i0y s GLU 554 Cb -0.02 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.67 2i0y s GLU 554 CO 0.21 -0.06 0.00 0.43 0.02 0.00 0.00 175.26 175.86 2i0y n SER 555 N 4.54 -3.50 0.00 -0.19 7.64 -1.26 -5.03 113.62 115.81 2i0y n SER 555 Ca -0.08 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2i0y n SER 555 Cb 0.51 -2.91 0.00 0.00 -1.01 0.00 0.00 64.21 60.80 2i0y n SER 555 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i0y n TYR 556 N -0.28 0.00 0.00 1.43 9.36 -1.26 -4.96 117.16 121.45 2i0y n TYR 556 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2i0y n TYR 556 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2i0y n TYR 556 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2i0y n GLU 557 N 0.00 0.00 0.00 2.98 -0.58 -1.26 -4.84 120.64 116.94 2i0y n GLU 557 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2i0y n GLU 557 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2i0y n GLU 557 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2i0y n SER 560 N 0.67 0.00 -4.47 1.62 2.88 -1.25 -5.17 113.62 107.90 2i0y n SER 560 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2i0y n SER 560 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 2i0y n SER 560 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2i0y s TYR 561 N 4.18 2.88 -0.44 0.66 5.04 -1.26 -4.48 117.35 123.93 2i0y s TYR 561 Ca 0.00 -0.34 -0.15 0.00 -2.44 0.00 0.00 57.07 54.14 2i0y s TYR 561 Cb 0.00 -1.82 0.05 0.00 0.35 0.00 0.00 41.96 40.54 2i0y s TYR 561 CO 0.00 0.01 0.35 0.99 -1.34 0.00 0.00 175.55 175.56 2i0y s THR 562 N -0.05 5.23 -0.08 4.34 2.01 -1.26 -4.92 115.64 120.91 2i0y s THR 562 Ca -0.01 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 2i0y s THR 562 Cb -0.14 -4.03 -0.27 0.00 0.01 0.00 0.00 72.50 68.08 2i0y s THR 562 CO 0.03 -0.45 0.52 -0.26 -0.69 0.00 0.00 174.62 173.77 2i0y h PHE 563 N 8.69 0.48 0.00 4.92 -1.00 -1.98 -3.46 116.94 124.59 2i0y h PHE 563 Ca -0.28 -0.35 0.00 0.00 2.81 0.00 0.00 57.97 60.15 2i0y h PHE 563 Cb 1.11 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.66 2i0y h PHE 563 CO 0.60 1.64 0.00 0.44 -1.61 0.00 0.00 178.31 179.37 2i0y n ILE 564 N -3.46 0.00 -1.55 -0.55 -5.35 -1.26 -5.25 119.36 101.94 2i0y n ILE 564 Ca -0.27 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.22 2i0y n ILE 564 Cb 1.05 0.00 0.20 0.00 -1.74 0.00 0.00 39.64 39.16 2i0y n ILE 564 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2i0y n GLU 573 N 0.00 1.71 0.29 6.28 2.13 -1.26 -5.10 120.64 124.69 2i0y n GLU 573 Ca 0.00 -3.28 0.19 0.00 0.66 0.00 0.00 57.16 54.73 2i0y n GLU 573 Cb 0.00 -1.71 0.84 0.00 0.27 0.00 0.00 31.44 30.85 2i0y n GLU 573 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2i0y h LYS 574 N 1.02 0.00 -0.00 5.31 2.10 -2.05 -2.29 116.57 120.66 2i0y h LYS 574 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2i0y h LYS 574 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2i0y h LYS 574 CO 0.17 0.00 -0.06 0.91 -2.00 0.00 0.00 179.45 178.47 2i0y n TRP 575 N -3.01 0.00 -1.72 0.07 7.02 -1.26 -4.91 117.44 113.63 2i0y n TRP 575 Ca -0.01 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 2i0y n TRP 575 Cb 0.22 -0.38 -0.02 0.00 -2.42 0.00 0.00 31.31 28.70 2i0y n TRP 575 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2i0y n GLU 576 N -1.39 2.57 -4.17 -0.99 4.07 -0.86 -1.05 120.64 118.83 2i0y n GLU 576 Ca 0.10 0.92 -0.16 0.00 -0.06 0.00 0.00 57.16 57.96 2i0y n GLU 576 Cb 0.31 -2.70 -0.13 0.00 -0.06 0.00 0.00 31.44 28.86 2i0y n GLU 576 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2i0y s PHE 577 N 0.40 0.68 -0.06 4.31 5.36 -0.15 -4.83 117.98 123.69 2i0y s PHE 577 Ca 0.69 -0.29 -0.30 0.00 -0.96 0.00 0.00 56.93 56.07 2i0y s PHE 577 Cb -0.54 -0.42 -0.05 0.00 -0.34 0.00 0.00 43.02 41.67 2i0y s PHE 577 CO 0.43 -0.03 1.50 -2.14 -1.46 0.00 0.00 175.22 173.52 2i0y s PRO 578 N -0.84 4.22 0.49 10.12 0.02 -1.26 -4.50 135.00 143.25 2i0y s PRO 578 Ca -0.03 2.01 0.23 0.00 0.02 0.00 0.00 61.00 63.24 2i0y s PRO 578 Cb -0.06 -3.82 1.28 0.00 0.02 0.00 0.00 34.50 31.92 2i0y s PRO 578 CO 0.00 -0.75 2.03 0.07 -0.33 0.00 0.00 177.00 178.03 2i0y h ARG 579 N 8.77 0.00 0.00 5.54 0.11 -1.93 -1.18 114.38 125.69 2i0y h ARG 579 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 2i0y h ARG 579 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2i0y h ARG 579 CO 0.95 0.15 0.00 0.27 0.10 0.00 0.00 179.97 181.44 2i0y n ASN 580 N -3.85 0.53 -1.46 0.08 0.23 -1.26 -1.58 115.26 107.96 2i0y n ASN 580 Ca -0.02 0.63 0.01 0.00 -0.53 0.00 0.00 54.58 54.67 2i0y n ASN 580 Cb 0.25 -0.74 0.23 0.00 -2.08 0.00 0.00 39.78 37.44 2i0y n ASN 580 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2i0y n ASN 581 N -2.09 3.91 -4.13 0.53 4.13 -0.44 -4.82 115.26 112.35 2i0y n ASN 581 Ca 0.02 -2.67 -0.29 0.00 1.68 0.00 0.00 54.58 53.32 2i0y n ASN 581 Cb 0.22 -0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 37.66 2i0y n ASN 581 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2i0y s LEU 582 N -1.81 1.89 -0.33 3.41 2.96 -0.61 -1.34 118.68 122.84 2i0y s LEU 582 Ca 0.35 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2i0y s LEU 582 Cb 0.27 -1.19 0.08 0.00 0.50 0.00 0.00 46.19 45.85 2i0y s LEU 582 CO 0.09 0.09 0.05 -1.58 -1.32 0.00 0.00 176.35 173.68 2i0y s GLN 583 N 0.61 2.12 0.41 1.98 0.74 0.45 -4.96 119.66 121.02 2i0y s GLN 583 Ca -0.14 -1.53 -0.25 0.00 0.05 0.00 0.00 55.36 53.49 2i0y s GLN 583 Cb -0.16 -3.26 -0.08 0.00 1.10 0.00 0.00 33.01 30.60 2i0y s GLN 583 CO 0.04 -0.79 1.14 -0.06 -0.55 0.00 0.00 175.29 175.06 2i0y s PHE 584 N 1.14 3.09 0.00 1.67 0.40 -1.26 -0.56 117.98 122.47 2i0y s PHE 584 Ca 0.01 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 2i0y s PHE 584 Cb -0.20 -3.32 0.00 0.00 0.51 0.00 0.00 43.02 40.01 2i0y s PHE 584 CO -0.04 -1.16 0.00 0.41 0.70 0.00 0.00 175.22 175.14 2i0y n GLY 585 N 0.54 5.18 3.79 4.36 0.00 0.25 -4.93 105.19 114.39 2i0y n GLY 585 Ca 0.05 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 2i0y n GLY 585 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i0y s LYS 586 N 4.18 3.27 0.09 1.61 -2.85 -1.26 -4.66 119.74 120.13 2i0y s LYS 586 Ca 0.00 1.27 -0.30 0.00 -1.00 0.00 0.00 55.97 55.94 2i0y s LYS 586 Cb 0.00 -2.02 -0.05 0.00 -2.06 0.00 0.00 37.83 33.69 2i0y s LYS 586 CO 0.00 -0.86 0.96 0.99 0.10 0.00 0.00 175.35 176.54 2i0y s THR 587 N -2.36 4.56 -0.09 3.79 2.01 -1.26 -1.31 115.64 120.97 2i0y s THR 587 Ca 0.65 2.06 0.03 0.00 0.31 0.00 0.00 61.69 64.74 2i0y s THR 587 Cb -0.17 -4.32 -0.24 0.00 0.01 0.00 0.00 72.50 67.78 2i0y s THR 587 CO 0.36 0.30 0.46 0.18 -0.69 0.00 0.00 174.62 175.23 2i0y n LEU 588 N 2.94 1.79 -3.62 4.42 4.77 -0.32 -4.92 117.00 122.06 2i0y n LEU 588 Ca 0.03 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 2i0y n LEU 588 Cb 0.49 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2i0y n LEU 588 CO 0.51 0.64 0.99 -0.83 -1.33 0.00 0.00 177.39 177.37 2i0y s GLY 589 N -5.41 -0.36 0.05 -0.72 0.00 -1.18 -5.03 107.32 94.66 2i0y s GLY 589 Ca -0.15 0.91 -0.26 0.00 0.00 0.00 0.00 44.72 45.22 2i0y s GLY 589 CO 0.79 0.24 0.60 0.00 0.00 0.00 0.00 173.10 174.73 2i0y s ALA 590 N -2.56 -1.57 0.00 3.20 0.00 -0.89 -1.53 121.76 118.41 2i0y s ALA 590 Ca 0.12 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2i0y s ALA 590 Cb 0.02 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2i0y s ALA 590 CO -0.04 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2i0y n GLY 591 N 0.34 5.65 0.35 0.00 0.00 0.11 -2.84 105.19 108.81 2i0y n GLY 591 Ca -0.18 -2.03 -0.00 0.00 0.00 0.00 0.00 46.02 43.80 2i0y n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0y h ALA 592 N 1.00 1.40 0.00 4.61 0.00 -1.86 -3.30 119.26 121.11 2i0y h ALA 592 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2i0y h ALA 592 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2i0y h ALA 592 CO 0.00 0.54 -0.05 1.19 0.00 0.00 0.00 179.25 180.92 2i0y n PHE 593 N -4.40 0.00 -3.83 0.00 0.99 -1.26 -4.81 117.46 104.15 2i0y n PHE 593 Ca 0.09 -0.44 -0.06 0.00 -0.00 0.00 0.00 57.45 57.03 2i0y n PHE 593 Cb 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 39.48 38.45 2i0y n PHE 593 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2i0y s GLY 594 N -1.18 -0.09 0.08 1.37 0.00 -1.15 -2.49 107.32 103.85 2i0y s GLY 594 Ca 0.07 -0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 2i0y s GLY 594 CO 0.01 -0.04 0.52 -1.59 0.00 0.00 0.00 173.10 172.01 2i0y s LYS 595 N -3.62 1.10 -0.05 2.90 -2.85 -0.06 0.06 119.74 117.21 2i0y s LYS 595 Ca 0.12 -0.35 0.05 0.00 -1.00 0.00 0.00 55.97 54.79 2i0y s LYS 595 Cb -0.05 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 2i0y s LYS 595 CO 0.06 -0.42 -0.22 0.54 0.10 0.00 0.00 175.35 175.41 2i0y s VAL 596 N -2.92 1.79 0.12 1.79 0.11 -0.58 -1.12 120.40 119.59 2i0y s VAL 596 Ca -0.03 -0.92 0.07 0.00 -2.93 0.00 0.00 61.98 58.18 2i0y s VAL 596 Cb -0.00 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 2i0y s VAL 596 CO -0.06 0.50 -0.18 0.68 -3.33 0.00 0.00 175.10 172.72 2i0y s VAL 597 N -0.09 1.60 0.17 2.04 -7.23 0.22 -1.17 120.40 115.95 2i0y s VAL 597 Ca -0.03 -1.66 -0.25 0.00 -1.81 0.00 0.00 61.98 58.22 2i0y s VAL 597 Cb -0.13 -1.58 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 2i0y s VAL 597 CO 0.03 -0.23 0.77 -0.70 -0.31 0.00 0.00 175.10 174.66 2i0y s GLU 598 N -2.31 4.53 0.17 4.82 2.12 -0.43 -0.25 118.70 127.36 2i0y s GLU 598 Ca 0.09 1.13 -0.16 0.00 0.36 0.00 0.00 54.97 56.38 2i0y s GLU 598 Cb -0.08 -3.21 0.03 0.00 0.26 0.00 0.00 34.13 31.13 2i0y s GLU 598 CO 0.04 0.55 0.46 0.00 -0.54 0.00 0.00 175.26 175.78 2i0y s ALA 599 N -1.20 -0.84 -0.17 6.30 0.00 -0.34 0.88 121.76 126.40 2i0y s ALA 599 Ca 0.37 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 2i0y s ALA 599 Cb -0.22 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 2i0y s ALA 599 CO 0.26 -0.74 -0.02 0.99 0.00 0.00 0.00 175.76 176.25 2i0y s THR 600 N -3.86 3.99 -0.16 0.00 2.01 0.28 -0.04 115.64 117.86 2i0y s THR 600 Ca 0.08 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 2i0y s THR 600 Cb 0.00 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 2i0y s THR 600 CO -0.05 0.47 -0.06 0.00 -0.69 0.00 0.00 174.62 174.29 2i0y s ALA 601 N 0.52 2.88 -0.26 7.40 0.00 -1.02 -0.41 121.76 130.87 2i0y s ALA 601 Ca -0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2i0y s ALA 601 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2i0y s ALA 601 CO 0.02 0.11 0.15 -0.06 0.00 0.00 0.00 175.76 175.99 2i0y s PHE 602 N 0.55 3.21 -0.38 0.00 0.40 -0.45 -3.76 117.98 117.54 2i0y s PHE 602 Ca -0.04 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 2i0y s PHE 602 Cb -0.15 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 2i0y s PHE 602 CO 0.03 -0.15 0.34 0.41 0.70 0.00 0.00 175.22 176.54 2i0y n GLY 603 N 4.84 0.00 3.38 4.36 0.00 0.03 -4.90 105.19 112.90 2i0y n GLY 603 Ca -0.15 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2i0y n GLY 603 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i0y s LEU 604 N -3.74 2.70 0.00 0.99 0.20 -0.75 -4.82 118.68 113.26 2i0y s LEU 604 Ca 0.15 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.65 2i0y s LEU 604 Cb -0.02 -1.60 0.00 0.00 -0.43 0.00 0.00 46.19 44.14 2i0y s LEU 604 CO 0.28 0.18 0.00 0.61 -0.29 0.00 0.00 176.35 177.14 2i0y n GLY 605 N 3.42 -2.55 0.14 7.98 0.00 -1.26 -2.57 105.19 110.35 2i0y n GLY 605 Ca -0.18 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.29 2i0y n GLY 605 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2i0y h LYS 606 N 0.00 0.00 -0.01 1.61 3.11 -2.00 -2.96 116.57 116.31 2i0y h LYS 606 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2i0y h LYS 606 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2i0y h LYS 606 CO 0.00 0.00 -0.16 0.39 -2.81 0.00 0.00 179.45 176.87 2i0y n GLU 607 N -2.44 1.34 -3.97 1.90 -0.58 -1.26 -4.96 120.64 110.67 2i0y n GLU 607 Ca 0.04 -0.87 -0.29 0.00 -0.42 0.00 0.00 57.16 55.62 2i0y n GLU 607 Cb 0.39 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.77 2i0y n GLU 607 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2i0y n ASP 608 N -0.07 -2.45 -4.80 1.62 10.43 -1.12 -4.94 116.55 115.22 2i0y n ASP 608 Ca 0.14 -0.91 -0.30 0.00 2.57 0.00 0.00 54.79 56.29 2i0y n ASP 608 Cb 0.39 -3.39 0.09 0.00 1.84 0.00 0.00 41.12 40.05 2i0y n ASP 608 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2i0y s ALA 609 N -3.56 2.24 -0.77 2.24 0.00 -1.06 -4.15 121.76 116.69 2i0y s ALA 609 Ca 0.37 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.26 2i0y s ALA 609 Cb -0.19 -3.13 0.17 0.00 0.00 0.00 0.00 23.12 19.97 2i0y s ALA 609 CO 0.87 -1.72 1.04 0.28 0.00 0.00 0.00 175.76 176.23 2i0y n VAL 610 N -3.44 0.68 -0.71 0.00 0.31 -1.25 -0.79 118.33 113.13 2i0y n VAL 610 Ca 0.07 -0.84 -0.24 0.00 -0.01 0.00 0.00 64.34 63.32 2i0y n VAL 610 Cb 0.56 0.72 0.02 0.00 -0.91 0.00 0.00 33.84 34.22 2i0y n VAL 610 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i0y n LEU 611 N 0.30 -3.47 -4.80 7.52 -0.00 -1.25 -3.87 117.00 111.42 2i0y n LEU 611 Ca 0.07 0.22 -0.37 0.00 -0.00 0.00 0.00 56.01 55.93 2i0y n LEU 611 Cb 0.32 -0.52 -0.06 0.00 -0.00 0.00 0.00 43.42 43.16 2i0y n LEU 611 CO 0.05 -3.72 0.43 -0.75 -0.00 0.00 0.00 177.39 173.41 2i0y s LYS 612 N -1.10 4.33 0.28 1.47 2.20 -1.26 -2.45 119.74 123.20 2i0y s LYS 612 Ca 0.30 0.94 0.02 0.00 -0.36 0.00 0.00 55.97 56.86 2i0y s LYS 612 Cb -0.19 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2i0y s LYS 612 CO 0.51 0.45 0.26 0.14 -0.36 0.00 0.00 175.35 176.35 2i0y s VAL 613 N -1.41 0.00 -0.09 4.02 -7.23 0.95 -4.32 120.40 112.32 2i0y s VAL 613 Ca 0.40 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2i0y s VAL 613 Cb -0.18 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 2i0y s VAL 613 CO 0.22 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.93 2i0y s ALA 614 N -3.71 2.88 -0.19 1.32 0.00 -0.30 -1.20 121.76 120.56 2i0y s ALA 614 Ca 0.38 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.45 2i0y s ALA 614 Cb 0.04 -1.23 0.04 0.00 0.00 0.00 0.00 23.12 21.96 2i0y s ALA 614 CO 0.20 0.47 -0.12 0.08 0.00 0.00 0.00 175.76 176.38 2i0y s VAL 615 N -0.44 1.71 -0.00 0.00 1.01 0.66 -0.92 120.40 122.41 2i0y s VAL 615 Ca 0.06 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2i0y s VAL 615 Cb -0.12 -1.72 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 2i0y s VAL 615 CO 0.02 0.26 0.39 -0.54 0.00 0.00 0.00 175.10 175.23 2i0y s LYS 616 N 1.38 3.87 0.16 2.72 1.02 -0.20 -0.61 119.74 128.09 2i0y s LYS 616 Ca 0.00 0.36 -0.17 0.00 0.02 0.00 0.00 55.97 56.18 2i0y s LYS 616 Cb -0.15 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2i0y s LYS 616 CO -0.09 0.69 0.46 0.00 -0.92 0.00 0.00 175.35 175.49 2i0y s MET 617 N -1.13 1.22 0.60 1.68 0.23 -0.28 -1.36 119.30 120.27 2i0y s MET 617 Ca 0.24 -0.78 -0.07 0.00 -1.03 0.00 0.00 55.69 54.06 2i0y s MET 617 Cb -0.16 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.64 2i0y s MET 617 CO 0.13 -0.50 0.92 -0.51 -2.03 0.00 0.00 175.02 173.03 2i0y s LEU 618 N -2.84 3.21 0.47 0.18 1.43 -1.26 -0.88 118.68 118.99 2i0y s LEU 618 Ca 0.06 0.78 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 2i0y s LEU 618 Cb 0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.63 2i0y s LEU 618 CO -0.08 -1.08 0.52 -0.54 0.23 0.00 0.00 176.35 175.41 2i0y s LYS 619 N -5.03 2.53 0.52 1.70 1.02 -1.04 -4.75 119.74 114.69 2i0y s LYS 619 Ca 0.54 -1.54 0.18 0.00 0.02 0.00 0.00 55.97 55.18 2i0y s LYS 619 Cb -0.11 -2.50 1.33 0.00 -0.52 0.00 0.00 37.83 36.03 2i0y s LYS 619 CO 0.46 -0.41 2.14 0.77 -0.92 0.00 0.00 175.35 177.39 2i0y h SER 620 N 0.70 0.00 0.00 2.83 0.02 -1.95 -1.89 113.55 113.27 2i0y h SER 620 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2i0y h SER 620 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2i0y h SER 620 CO 0.50 0.03 0.00 0.41 -1.14 0.00 0.00 176.83 176.63 2i0y n THR 621 N -4.36 0.00 -3.81 -2.27 -1.04 -1.26 -4.85 114.28 96.69 2i0y n THR 621 Ca -0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 2i0y n THR 621 Cb 0.11 -0.13 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 2i0y n THR 621 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2i0y s ALA 622 N -2.00 3.90 0.00 2.41 0.00 -0.71 -4.93 121.76 120.42 2i0y s ALA 622 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2i0y s ALA 622 Cb 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2i0y s ALA 622 CO 0.09 0.71 0.00 0.72 0.00 0.00 0.00 175.76 177.28 2i0y n HIS 623 N 0.74 0.00 -0.09 0.00 8.25 -1.26 -4.96 115.22 117.89 2i0y n HIS 623 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 2i0y n HIS 623 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 2i0y n HIS 623 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i0y h ALA 624 N 1.00 -0.55 -0.96 -1.41 0.00 -1.99 -0.18 119.26 115.18 2i0y h ALA 624 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.20 2i0y h ALA 624 Cb 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 2i0y h ALA 624 CO 0.00 -0.70 0.42 -0.44 0.00 0.00 0.00 179.25 178.53 2i0y h ASP 625 N -0.20 0.28 -0.08 0.00 3.45 -1.99 0.19 116.42 118.06 2i0y h ASP 625 Ca 0.04 0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.69 2i0y h ASP 625 Cb 0.32 0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 39.29 2i0y h ASP 625 CO -0.35 -0.16 0.01 -0.33 -1.57 0.00 0.00 179.24 176.84 2i0y h GLU 626 N 0.26 0.14 -0.68 3.56 4.39 -1.62 -2.42 114.58 118.21 2i0y h GLU 626 Ca 0.66 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.35 2i0y h GLU 626 Cb 1.46 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.06 2i0y h GLU 626 CO -0.64 0.38 0.45 0.87 -1.16 0.00 0.00 179.01 178.91 2i0y h LYS 627 N -0.12 0.79 -0.36 2.33 1.57 1.00 -2.22 116.57 119.56 2i0y h LYS 627 Ca 0.02 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2i0y h LYS 627 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2i0y h LYS 627 CO 0.00 0.52 -0.09 0.93 -0.57 0.00 0.00 179.45 180.25 2i0y h GLU 628 N 0.82 0.70 -0.83 3.15 5.08 -0.82 -2.26 114.58 120.42 2i0y h GLU 628 Ca 0.27 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2i0y h GLU 628 Cb 0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2i0y h GLU 628 CO -0.07 0.86 0.55 0.00 -1.00 0.00 0.00 179.01 179.34 2i0y h ALA 629 N 0.82 1.46 -0.40 3.43 0.00 -0.91 0.30 119.26 123.97 2i0y h ALA 629 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2i0y h ALA 629 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2i0y h ALA 629 CO 0.04 0.47 -0.20 1.25 0.00 0.00 0.00 179.25 180.80 2i0y h LEU 630 N 1.06 0.87 -0.83 0.00 5.85 -1.31 -1.47 115.31 119.49 2i0y h LEU 630 Ca 0.32 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2i0y h LEU 630 Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2i0y h LEU 630 CO -0.09 1.09 -0.22 0.24 -0.34 0.00 0.00 178.44 179.12 2i0y h MET 631 N 0.65 0.63 -0.60 1.25 2.86 -0.77 -1.54 114.93 117.41 2i0y h MET 631 Ca 0.09 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 2i0y h MET 631 Cb 0.76 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 2i0y h MET 631 CO 0.06 0.80 0.04 0.77 1.06 0.00 0.00 176.91 179.64 2i0y h SER 632 N 0.56 0.99 -0.51 1.22 0.02 -0.22 0.40 113.55 116.00 2i0y h SER 632 Ca 0.08 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 2i0y h SER 632 Cb 0.68 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2i0y h SER 632 CO 0.05 1.02 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.65 2i0y h GLU 633 N 0.94 0.93 -0.44 3.45 4.81 -1.03 -0.57 114.58 122.67 2i0y h GLU 633 Ca 0.18 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2i0y h GLU 633 Cb 0.49 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2i0y h GLU 633 CO 0.02 0.96 0.22 1.25 -0.73 0.00 0.00 179.01 180.73 2i0y h LEU 634 N 0.79 0.32 -0.73 1.64 6.46 -0.87 -0.68 115.31 122.24 2i0y h LEU 634 Ca 0.14 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 2i0y h LEU 634 Cb 0.56 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2i0y h LEU 634 CO 0.03 0.23 0.21 0.11 -0.62 0.00 0.00 178.44 178.40 2i0y h LYS 635 N 0.44 1.14 -0.12 1.25 1.57 -0.62 -1.42 116.57 118.81 2i0y h LYS 635 Ca 0.19 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2i0y h LYS 635 Cb 0.10 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2i0y h LYS 635 CO -0.13 0.98 0.03 0.82 -0.57 0.00 0.00 179.45 180.58 2i0y h ILE 636 N 1.09 1.18 -0.64 1.86 2.04 -0.59 -2.44 117.51 120.02 2i0y h ILE 636 Ca 0.23 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2i0y h ILE 636 Cb 0.33 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2i0y h ILE 636 CO -0.00 0.16 0.32 0.24 0.00 0.00 0.00 178.15 178.87 2i0y h MET 637 N -0.00 0.89 0.00 2.37 2.86 -1.03 -0.27 114.93 119.75 2i0y h MET 637 Ca 0.04 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2i0y h MET 637 Cb 0.23 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2i0y h MET 637 CO -0.00 0.68 -0.06 0.66 1.06 0.00 0.00 176.91 179.25 2i0y h SER 638 N 0.90 0.00 0.34 1.22 4.64 -1.11 -3.16 113.55 116.37 2i0y h SER 638 Ca 0.22 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.22 2i0y h SER 638 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 2i0y h SER 638 CO -0.03 0.06 -1.87 1.57 -0.87 0.00 0.00 176.83 175.70 2i0y n HIS 639 N -3.19 0.96 -0.25 4.77 -0.00 -0.57 -4.39 115.22 112.55 2i0y n HIS 639 Ca 0.00 0.30 -0.07 0.00 -0.00 0.00 0.00 57.72 57.95 2i0y n HIS 639 Cb 0.33 -1.16 0.04 0.00 -0.00 0.00 0.00 29.99 29.21 2i0y n HIS 639 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2i0y h LEU 640 N 0.02 1.00 0.00 0.27 3.38 -1.05 -3.50 115.31 115.43 2i0y h LEU 640 Ca -0.35 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2i0y h LEU 640 Cb 2.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2i0y h LEU 640 CO 0.07 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2i0y n GLY 641 N -0.75 0.17 3.85 0.83 0.00 -1.23 -5.00 105.19 103.07 2i0y n GLY 641 Ca 0.05 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 2i0y n GLY 641 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i0y s GLN 642 N -1.97 3.91 -0.21 1.61 -0.21 -1.26 -4.97 119.66 116.56 2i0y s GLN 642 Ca 0.00 0.74 -0.19 0.00 0.02 0.00 0.00 55.36 55.93 2i0y s GLN 642 Cb 0.00 -2.28 0.06 0.00 1.00 0.00 0.00 33.01 31.78 2i0y s GLN 642 CO 0.00 -0.10 0.56 -1.58 -2.12 0.00 0.00 175.29 172.05 2i0y s HIS 643 N -2.40 -0.62 0.56 0.91 2.46 -1.26 -5.06 115.29 109.88 2i0y s HIS 643 Ca 0.55 1.51 0.26 0.00 0.47 0.00 0.00 55.06 57.86 2i0y s HIS 643 Cb -0.10 0.22 1.52 0.00 -0.13 0.00 0.00 32.58 34.09 2i0y s HIS 643 CO 0.28 -0.30 2.07 1.05 -2.47 0.00 0.00 174.74 175.36 2i0y h GLU 644 N 5.32 0.00 -0.51 2.88 9.09 -1.98 -2.29 114.58 127.09 2i0y h GLU 644 Ca -0.28 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 58.96 2i0y h GLU 644 Cb 1.17 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.17 2i0y h GLU 644 CO 0.15 0.00 0.12 0.09 0.05 0.00 0.00 179.01 179.43 2i0y n ASN 645 N -4.07 3.76 -4.36 3.06 4.13 -1.26 -4.87 115.26 111.66 2i0y n ASN 645 Ca 0.04 -3.37 -0.28 0.00 1.68 0.00 0.00 54.58 52.65 2i0y n ASN 645 Cb 0.39 -0.66 -0.13 0.00 -1.54 0.00 0.00 39.78 37.83 2i0y n ASN 645 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2i0y s ILE 646 N -3.05 2.14 -0.94 2.41 -1.09 -0.86 -1.29 121.20 118.52 2i0y s ILE 646 Ca 0.48 -1.63 -0.23 0.00 -2.23 0.00 0.00 60.65 57.04 2i0y s ILE 646 Cb 0.41 -1.88 0.06 0.00 -1.58 0.00 0.00 42.46 39.46 2i0y s ILE 646 CO 0.08 0.14 1.35 -0.69 -1.23 0.00 0.00 174.94 174.59 2i0y s VAL 647 N -1.01 4.00 0.51 2.92 1.01 0.38 -4.75 120.40 123.46 2i0y s VAL 647 Ca 0.12 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 2i0y s VAL 647 Cb -0.10 -4.98 -0.06 0.00 0.00 0.00 0.00 36.38 31.24 2i0y s VAL 647 CO 0.05 -1.85 1.26 0.20 0.00 0.00 0.00 175.10 174.76 2i0y s ASN 648 N 4.51 5.70 0.22 3.32 0.01 -1.26 -4.71 114.94 122.74 2i0y s ASN 648 Ca 0.41 2.53 -0.30 0.00 -0.71 0.00 0.00 52.86 54.79 2i0y s ASN 648 Cb -0.03 -2.62 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 2i0y s ASN 648 CO -0.04 -1.25 1.08 -0.22 -1.51 0.00 0.00 177.10 175.16 2i0y s LEU 649 N -3.30 4.53 0.00 0.60 2.96 -1.26 -1.67 118.68 120.53 2i0y s LEU 649 Ca 0.68 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 2i0y s LEU 649 Cb -0.34 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.73 2i0y s LEU 649 CO 0.41 -0.15 0.00 0.18 -1.32 0.00 0.00 176.35 175.46 2i0y n LEU 650 N 1.85 0.00 0.00 -0.68 4.77 0.18 -4.91 117.00 118.21 2i0y n LEU 650 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2i0y n LEU 650 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2i0y n LEU 650 CO 0.53 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2i0y n GLY 651 N 2.46 -1.53 3.44 -0.72 0.00 -0.94 -4.82 105.19 103.08 2i0y n GLY 651 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 2i0y n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0y s ALA 652 N -1.93 -1.55 -0.29 4.61 0.00 -0.21 -0.59 121.76 121.78 2i0y s ALA 652 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2i0y s ALA 652 Cb 0.00 0.46 0.09 0.00 0.00 0.00 0.00 23.12 23.66 2i0y s ALA 652 CO 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 175.76 175.22 2i0y n THR 654 N 4.55 0.00 -4.32 0.00 -2.24 -1.26 -0.51 114.28 110.51 2i0y n THR 654 Ca -0.04 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 2i0y n THR 654 Cb 0.43 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 2i0y n THR 654 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2i0y s HIS 655 N -0.65 1.64 -1.20 4.78 3.76 -1.26 -4.80 115.29 117.57 2i0y s HIS 655 Ca 0.08 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 2i0y s HIS 655 Cb 0.06 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.96 2i0y s HIS 655 CO 0.10 0.29 0.00 0.41 -0.85 0.00 0.00 174.74 174.69 2i0y n GLY 656 N -0.05 0.85 0.00 -2.22 0.00 -1.26 -4.88 105.19 97.63 2i0y n GLY 656 Ca -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2i0y n GLY 656 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i0y n GLY 657 N -1.35 -0.85 3.61 -0.02 0.00 -1.26 -5.08 105.19 100.24 2i0y n GLY 657 Ca -0.13 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 2i0y n GLY 657 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2i0y n PRO 658 N -0.89 1.05 -2.07 1.61 -0.02 -1.26 -4.83 135.00 128.59 2i0y n PRO 658 Ca 0.00 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2i0y n PRO 658 Cb 0.00 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2i0y n PRO 658 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2i0y s VAL 659 N -1.45 3.04 -0.07 -1.45 1.01 -1.26 -4.75 120.40 115.47 2i0y s VAL 659 Ca 0.71 0.73 0.04 0.00 0.00 0.00 0.00 61.98 63.46 2i0y s VAL 659 Cb -0.46 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2i0y s VAL 659 CO 0.51 0.05 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 2i0y s LEU 660 N 1.22 1.91 -0.25 3.92 1.43 0.34 -4.45 118.68 122.80 2i0y s LEU 660 Ca 0.67 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2i0y s LEU 660 Cb -0.39 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2i0y s LEU 660 CO 0.31 0.13 -0.02 -0.69 0.23 0.00 0.00 176.35 176.30 2i0y s VAL 661 N 0.32 3.35 -0.25 -1.59 1.01 -0.46 -0.46 120.40 122.32 2i0y s VAL 661 Ca -0.13 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 2i0y s VAL 661 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2i0y s VAL 661 CO 0.05 0.26 0.30 -0.63 0.00 0.00 0.00 175.10 175.09 2i0y s ILE 662 N 1.43 5.24 0.34 2.22 1.01 0.24 -1.03 121.20 130.65 2i0y s ILE 662 Ca 0.03 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2i0y s ILE 662 Cb -0.16 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2i0y s ILE 662 CO -0.02 0.23 0.08 0.42 0.00 0.00 0.00 174.94 175.65 2i0y s THR 663 N 1.66 0.96 0.70 2.92 -4.23 -0.10 -0.64 115.64 116.91 2i0y s THR 663 Ca 0.13 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.48 2i0y s THR 663 Cb -0.15 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.04 2i0y s THR 663 CO 0.09 0.00 1.22 -1.61 -0.54 0.00 0.00 174.62 173.78 2i0y s GLU 664 N -3.87 2.33 -0.09 3.99 2.02 -0.67 -1.15 118.70 121.25 2i0y s GLU 664 Ca 0.33 1.81 -0.03 0.00 0.02 0.00 0.00 54.97 57.11 2i0y s GLU 664 Cb 0.07 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 2i0y s GLU 664 CO 0.15 -1.70 0.01 -0.47 0.02 0.00 0.00 175.26 173.27 2i0y s TYR 665 N -1.84 3.20 -0.54 1.61 5.04 -1.26 -4.20 117.35 119.35 2i0y s TYR 665 Ca 0.76 0.20 -0.04 0.00 -2.44 0.00 0.00 57.07 55.55 2i0y s TYR 665 Cb -0.31 -1.82 0.14 0.00 0.35 0.00 0.00 41.96 40.33 2i0y s TYR 665 CO 0.43 0.46 0.36 0.00 -1.34 0.00 0.00 175.55 175.46 2i0y n TYR 668 N -4.34 0.00 -4.05 0.00 0.53 -0.60 -5.04 117.16 103.65 2i0y n TYR 668 Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 2i0y n TYR 668 Cb 0.97 -0.24 0.00 0.00 -1.03 0.00 0.00 39.34 39.04 2i0y n TYR 668 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2i0y n GLY 669 N 1.37 -1.10 3.81 2.72 0.00 -0.68 -4.80 105.19 106.50 2i0y n GLY 669 Ca 0.11 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 2i0y n GLY 669 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i0y s ASP 670 N -4.00 6.91 0.32 1.61 -4.77 -1.26 -0.78 116.67 114.70 2i0y s ASP 670 Ca 0.00 1.78 0.02 0.00 -3.30 0.00 0.00 52.55 51.05 2i0y s ASP 670 Cb 0.00 -2.55 0.53 0.00 -1.09 0.00 0.00 42.92 39.80 2i0y s ASP 670 CO 0.00 -0.38 1.89 0.25 0.70 0.00 0.00 175.17 177.63 2i0y h LEU 671 N 2.15 0.66 0.05 2.11 5.85 -0.46 -2.43 115.31 123.23 2i0y h LEU 671 Ca -0.49 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 2i0y h LEU 671 Cb 1.19 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2i0y h LEU 671 CO 0.62 0.64 -0.02 0.25 -0.34 0.00 0.00 178.44 179.58 2i0y h LEU 672 N 0.71 -0.05 -1.00 2.25 5.85 -1.78 -0.18 115.31 121.11 2i0y h LEU 672 Ca 0.16 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2i0y h LEU 672 Cb 0.21 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2i0y h LEU 672 CO -0.01 -0.04 0.07 0.78 -0.34 0.00 0.00 178.44 178.90 2i0y h ASN 673 N -0.06 0.74 -0.63 1.25 2.35 -1.87 -2.11 115.58 115.26 2i0y h ASN 673 Ca -0.01 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2i0y h ASN 673 Cb 0.05 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2i0y h ASN 673 CO 0.01 0.77 0.34 0.15 -1.65 0.00 0.00 177.43 177.05 2i0y h PHE 674 N 0.75 0.87 -0.43 1.19 3.57 -1.08 -2.16 116.94 119.64 2i0y h PHE 674 Ca 0.16 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 2i0y h PHE 674 Cb 0.36 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2i0y h PHE 674 CO 0.02 0.63 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.51 2i0y h LEU 675 N 0.85 0.81 -1.17 0.59 3.38 -0.81 -2.66 115.31 116.30 2i0y h LEU 675 Ca 0.22 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2i0y h LEU 675 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2i0y h LEU 675 CO -0.03 0.96 -0.40 0.03 0.09 0.00 0.00 178.44 179.09 2i0y h ARG 676 N 0.72 0.00 -0.02 1.13 3.08 -1.07 -2.61 114.38 115.61 2i0y h ARG 676 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2i0y h ARG 676 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2i0y h ARG 676 CO 0.05 0.40 -0.05 2.89 -1.07 0.00 0.00 179.97 182.18 2i0y n ARG 677 N -3.92 1.70 -0.05 0.04 1.85 -0.84 -3.89 116.66 111.56 2i0y n ARG 677 Ca -0.01 -1.14 0.07 0.00 -1.00 0.00 0.00 57.85 55.76 2i0y n ARG 677 Cb 0.45 -1.48 0.08 0.00 -1.05 0.00 0.00 32.46 30.47 2i0y n ARG 677 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2i0y n LYS 678 N 0.35 1.31 -0.07 2.89 4.76 -1.00 -5.09 118.16 121.30 2i0y n LYS 678 Ca 0.17 -1.49 -0.00 0.00 -2.87 0.00 0.00 58.31 54.11 2i0y n LYS 678 Cb 0.42 -1.27 -0.00 0.00 -1.84 0.00 0.00 35.03 32.34 2i0y n LYS 678 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2i0y n ARG 679 N 0.73 0.14 -4.04 1.97 1.74 -1.11 -4.47 116.66 111.61 2i0y n ARG 679 Ca 0.09 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.06 2i0y n ARG 679 Cb 0.36 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.24 2i0y n ARG 679 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2i0y s GLN 696 N 1.88 0.48 0.07 5.56 -1.52 -1.26 -5.12 119.66 119.75 2i0y s GLN 696 Ca 0.01 -0.86 -0.17 0.00 -1.95 0.00 0.00 55.36 52.39 2i0y s GLN 696 Cb 0.01 0.02 -0.06 0.00 -0.22 0.00 0.00 33.01 32.75 2i0y s GLN 696 CO 0.00 -0.04 0.53 -0.51 -0.25 0.00 0.00 175.29 175.01 2i0y s LEU 697 N -2.00 4.49 0.39 2.90 1.43 -1.26 -5.09 118.68 119.54 2i0y s LEU 697 Ca -0.06 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 2i0y s LEU 697 Cb -0.04 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2i0y s LEU 697 CO -0.03 0.26 0.23 -0.94 0.23 0.00 0.00 176.35 176.10 2i0y s SER 698 N -1.20 4.68 0.32 2.29 1.04 -1.26 -5.01 113.70 114.55 2i0y s SER 698 Ca 0.29 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2i0y s SER 698 Cb -0.18 -0.58 0.53 0.00 0.10 0.00 0.00 66.02 65.89 2i0y s SER 698 CO 0.18 -0.51 1.86 0.77 0.98 0.00 0.00 173.24 176.52 2i0y h SER 699 N 1.34 0.62 -0.87 7.02 4.64 -1.97 -2.25 113.55 122.08 2i0y h SER 699 Ca -0.43 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 2i0y h SER 699 Cb 1.26 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2i0y h SER 699 CO 0.65 0.64 0.52 -0.09 -0.87 0.00 0.00 176.83 177.67 2i0y h ARG 753 N 0.64 1.18 -0.57 4.77 2.43 -1.95 -1.84 114.38 119.04 2i0y h ARG 753 Ca 0.14 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2i0y h ARG 753 Cb 0.29 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2i0y h ARG 753 CO 0.00 0.84 0.33 -0.44 -1.51 0.00 0.00 179.97 179.19 2i0y h ASP 754 N 1.20 0.70 -0.74 -3.80 3.45 -1.81 -1.03 116.42 114.40 2i0y h ASP 754 Ca 0.31 -0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.66 2i0y h ASP 754 Cb -0.04 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.52 2i0y h ASP 754 CO -0.06 0.57 0.32 -0.07 -1.57 0.00 0.00 179.24 178.44 2i0y h LEU 755 N 0.77 1.00 -1.09 1.55 3.38 -1.18 -1.07 115.31 118.67 2i0y h LEU 755 Ca 0.20 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2i0y h LEU 755 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2i0y h LEU 755 CO -0.04 0.88 -0.14 -0.07 0.09 0.00 0.00 178.44 179.17 2i0y h LEU 756 N 1.05 0.47 -0.42 1.67 -0.00 -1.03 -1.75 115.31 115.30 2i0y h LEU 756 Ca 0.25 -0.12 -0.12 0.00 -0.00 0.00 0.00 57.88 57.89 2i0y h LEU 756 Cb 0.17 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 2i0y h LEU 756 CO -0.03 0.64 -0.20 0.45 -0.00 0.00 0.00 178.44 179.30 2i0y h HIS 757 N 0.45 1.01 -0.34 1.13 3.86 -0.62 -1.03 115.15 119.61 2i0y h HIS 757 Ca 0.08 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2i0y h HIS 757 Cb 0.50 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2i0y h HIS 757 CO 0.02 1.03 0.19 0.74 0.86 0.00 0.00 177.93 180.77 2i0y h PHE 758 N 0.69 0.36 -0.30 2.45 0.05 -0.93 -0.62 116.94 118.65 2i0y h PHE 758 Ca 0.09 0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.91 2i0y h PHE 758 Cb 0.77 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.58 2i0y h PHE 758 CO 0.06 0.21 0.15 0.77 -0.18 0.00 0.00 178.31 179.32 2i0y h SER 759 N 0.40 0.23 -0.47 2.17 0.02 -1.16 -2.34 113.55 112.40 2i0y h SER 759 Ca 0.13 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 2i0y h SER 759 Cb 0.01 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2i0y h SER 759 CO -0.06 0.17 0.03 0.28 -1.14 0.00 0.00 176.83 176.10 2i0y h SER 760 N 0.31 0.78 -0.75 3.07 0.02 -0.93 -2.14 113.55 113.92 2i0y h SER 760 Ca 0.12 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2i0y h SER 760 Cb 0.03 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 2i0y h SER 760 CO -0.08 0.88 0.39 1.56 -1.14 0.00 0.00 176.83 178.44 2i0y h GLN 761 N 0.66 1.06 -0.35 3.45 4.20 -0.99 -0.03 115.11 123.11 2i0y h GLN 761 Ca 0.14 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2i0y h GLN 761 Cb 0.46 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2i0y h GLN 761 CO 0.02 0.80 -0.32 0.28 -0.67 0.00 0.00 178.83 178.94 2i0y h VAL 762 N 1.05 1.28 -0.23 -0.54 2.07 -1.37 -1.56 116.25 116.94 2i0y h VAL 762 Ca 0.26 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 2i0y h VAL 762 Cb 0.07 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2i0y h VAL 762 CO -0.04 0.48 -0.17 0.00 0.02 0.00 0.00 177.57 177.87 2i0y h ALA 763 N 0.98 1.28 -0.32 1.67 0.00 -1.05 0.97 119.26 122.80 2i0y h ALA 763 Ca 0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2i0y h ALA 763 Cb 0.86 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2i0y h ALA 763 CO 0.07 0.48 -0.10 1.96 0.00 0.00 0.00 179.25 181.66 2i0y h GLN 764 N 0.37 0.62 -0.67 0.00 4.20 -0.68 0.13 115.11 119.09 2i0y h GLN 764 Ca 0.07 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 2i0y h GLN 764 Cb 0.51 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2i0y h GLN 764 CO 0.03 0.82 0.14 0.78 -0.67 0.00 0.00 178.83 179.93 2i0y h GLY 765 N 0.39 1.17 1.48 3.46 0.00 -0.84 -1.58 103.07 107.15 2i0y h GLY 765 Ca 0.08 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 2i0y h GLY 765 CO 0.04 0.70 -0.36 -0.33 0.00 0.00 0.00 176.54 176.59 2i0y h MET 766 N 1.01 0.58 -0.30 4.80 2.86 -0.67 -1.53 114.93 121.68 2i0y h MET 766 Ca 0.21 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2i0y h MET 766 Cb 0.40 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2i0y h MET 766 CO 0.01 0.86 -0.09 0.00 1.06 0.00 0.00 176.91 178.74 2i0y h ALA 767 N 1.12 1.29 -0.08 6.32 0.00 -0.48 0.25 119.26 127.67 2i0y h ALA 767 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2i0y h ALA 767 Cb 0.85 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2i0y h ALA 767 CO 0.07 0.47 0.01 0.35 0.00 0.00 0.00 179.25 180.16 2i0y h PHE 768 N 0.46 0.14 -0.33 0.00 3.57 -0.81 -1.38 116.94 118.59 2i0y h PHE 768 Ca 0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2i0y h PHE 768 Cb 0.45 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2i0y h PHE 768 CO 0.01 0.35 0.21 -0.07 -2.23 0.00 0.00 178.31 176.59 2i0y h LEU 769 N -0.10 0.39 -0.97 0.59 3.38 -0.94 -2.17 115.31 115.48 2i0y h LEU 769 Ca 0.02 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2i0y h LEU 769 Cb 0.28 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 2i0y h LEU 769 CO 0.00 0.29 0.59 0.00 0.09 0.00 0.00 178.44 179.42 2i0y h ALA 770 N 1.11 1.46 0.00 1.53 0.00 -0.85 0.98 119.26 123.49 2i0y h ALA 770 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2i0y h ALA 770 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2i0y h ALA 770 CO -0.03 0.17 0.00 0.66 0.00 0.00 0.00 179.25 180.05 2i0y h SER 771 N 0.92 0.00 -0.44 0.00 4.64 -0.60 -1.48 113.55 116.60 2i0y h SER 771 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2i0y h SER 771 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2i0y h SER 771 CO -0.28 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.97 2i0y n LYS 772 N -2.64 3.03 -3.70 4.77 4.76 0.19 -3.96 118.16 120.61 2i0y n LYS 772 Ca 0.00 -2.43 -0.27 0.00 -2.87 0.00 0.00 58.31 52.73 2i0y n LYS 772 Cb 0.19 -1.53 0.04 0.00 -1.84 0.00 0.00 35.03 31.89 2i0y n LYS 772 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2i0y n ASN 773 N 0.60 -5.21 -4.47 4.39 3.02 -0.56 -4.80 115.26 108.23 2i0y n ASN 773 Ca 0.18 -0.63 -0.35 0.00 -0.03 0.00 0.00 54.58 53.74 2i0y n ASN 773 Cb 0.62 -4.16 -0.12 0.00 -0.61 0.00 0.00 39.78 35.51 2i0y n ASN 773 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i0y s ILE 775 N 0.96 5.33 -0.20 0.00 -4.36 0.05 -4.07 121.20 118.90 2i0y s ILE 775 Ca 0.02 0.30 -0.20 0.00 -0.26 0.00 0.00 60.65 60.51 2i0y s ILE 775 Cb -0.14 -3.53 -0.17 0.00 1.25 0.00 0.00 42.46 39.87 2i0y s ILE 775 CO 0.02 0.50 0.15 1.57 0.24 0.00 0.00 174.94 177.41 2i0y n HIS 776 N 1.55 0.99 -0.69 1.37 -0.00 -1.26 -1.89 115.22 115.29 2i0y n HIS 776 Ca -0.15 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 2i0y n HIS 776 Cb 0.53 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.47 2i0y n HIS 776 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2i0y n ARG 777 N -4.46 0.00 -2.74 1.57 1.74 -1.26 -4.04 116.66 107.47 2i0y n ARG 777 Ca -0.29 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.75 2i0y n ARG 777 Cb 0.63 -3.25 0.07 0.00 -1.02 0.00 0.00 32.46 28.88 2i0y n ARG 777 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2i0y n ASP 778 N 0.00 0.48 -4.67 0.55 4.64 -1.26 -2.98 116.55 113.32 2i0y n ASP 778 Ca 0.00 -2.31 -0.42 0.00 -1.38 0.00 0.00 54.79 50.68 2i0y n ASP 778 Cb 0.00 -0.07 -0.03 0.00 -1.04 0.00 0.00 41.12 39.99 2i0y n ASP 778 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2i0y s VAL 779 N -2.32 3.74 -0.09 5.18 1.01 -1.26 -4.75 120.40 121.91 2i0y s VAL 779 Ca 0.23 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 62.86 2i0y s VAL 779 Cb 0.39 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 33.28 2i0y s VAL 779 CO -0.04 -0.07 0.97 0.00 0.00 0.00 0.00 175.10 175.96 2i0y s ALA 780 N 3.61 -1.90 0.43 5.51 0.00 -1.26 -4.72 121.76 123.44 2i0y s ALA 780 Ca 0.68 1.30 0.11 0.00 0.00 0.00 0.00 51.96 54.04 2i0y s ALA 780 Cb -0.31 -0.07 0.98 0.00 0.00 0.00 0.00 23.12 23.72 2i0y s ALA 780 CO 0.26 -0.54 2.05 0.00 0.00 0.00 0.00 175.76 177.53 2i0y h ALA 781 N 2.20 1.85 0.00 0.00 0.00 -1.92 0.18 119.26 121.58 2i0y h ALA 781 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2i0y h ALA 781 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2i0y h ALA 781 CO 0.30 0.09 0.00 0.07 0.00 0.00 0.00 179.25 179.71 2i0y h ARG 782 N 0.43 0.00 -0.38 0.00 0.11 -1.95 -2.39 114.38 110.20 2i0y h ARG 782 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 2i0y h ARG 782 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2i0y h ARG 782 CO -0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.12 2i0y n ASN 783 N -2.61 4.50 -4.23 0.08 3.02 0.61 -4.80 115.26 111.84 2i0y n ASN 783 Ca -0.00 -2.95 -0.33 0.00 -0.03 0.00 0.00 54.58 51.26 2i0y n ASN 783 Cb 0.17 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.60 2i0y n ASN 783 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2i0y s VAL 784 N -2.74 2.52 0.20 2.41 1.01 -0.91 -4.35 120.40 118.52 2i0y s VAL 784 Ca 0.46 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2i0y s VAL 784 Cb 0.36 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2i0y s VAL 784 CO 0.12 0.52 0.15 -0.76 0.00 0.00 0.00 175.10 175.12 2i0y s LEU 785 N 0.94 3.77 -0.12 3.92 1.02 -0.23 -0.04 118.68 127.95 2i0y s LEU 785 Ca -0.03 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.96 2i0y s LEU 785 Cb -0.15 -2.36 0.01 0.00 0.02 0.00 0.00 46.19 43.71 2i0y s LEU 785 CO -0.03 0.03 -0.22 -0.76 0.02 0.00 0.00 176.35 175.39 2i0y s LEU 786 N -3.35 2.06 0.00 1.79 1.43 0.04 -0.80 118.68 119.86 2i0y s LEU 786 Ca 0.31 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2i0y s LEU 786 Cb -0.09 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2i0y s LEU 786 CO 0.24 0.11 0.00 1.07 0.23 0.00 0.00 176.35 178.00 2i0y n THR 787 N 3.81 0.00 -1.53 5.49 5.66 -0.58 -1.56 114.28 125.56 2i0y n THR 787 Ca -0.20 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.31 2i0y n THR 787 Cb 0.52 -0.34 -0.04 0.00 -1.55 0.00 0.00 70.33 68.92 2i0y n THR 787 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2i0y n ASN 788 N -0.21 0.56 -0.07 1.09 3.02 -1.26 -0.23 115.26 118.16 2i0y n ASN 788 Ca 0.00 1.15 -0.01 0.00 -0.03 0.00 0.00 54.58 55.69 2i0y n ASN 788 Cb 0.00 -1.13 -0.00 0.00 -0.61 0.00 0.00 39.78 38.04 2i0y n ASN 788 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i0y n GLY 789 N 1.80 0.41 2.61 7.41 0.00 -1.26 -3.17 105.19 113.00 2i0y n GLY 789 Ca 0.15 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2i0y n GLY 789 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2i0y n HIS 790 N -2.70 -1.35 -2.78 1.61 8.25 0.68 -4.95 115.22 113.99 2i0y n HIS 790 Ca -0.01 0.16 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 2i0y n HIS 790 Cb 0.17 -3.92 -0.05 0.00 1.12 0.00 0.00 29.99 27.31 2i0y n HIS 790 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2i0y s VAL 791 N -3.02 4.46 0.25 1.59 1.01 -1.19 -4.77 120.40 118.73 2i0y s VAL 791 Ca 0.10 2.00 -0.23 0.00 0.00 0.00 0.00 61.98 63.85 2i0y s VAL 791 Cb -0.05 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 2i0y s VAL 791 CO 0.12 0.36 0.82 0.00 0.00 0.00 0.00 175.10 176.40 2i0y s ALA 792 N -0.24 3.34 0.01 5.51 0.00 -1.26 -1.53 121.76 127.60 2i0y s ALA 792 Ca 0.44 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2i0y s ALA 792 Cb -0.23 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2i0y s ALA 792 CO 0.29 0.27 0.00 0.15 0.00 0.00 0.00 175.76 176.47 2i0y s LYS 793 N -1.87 0.31 0.23 0.00 1.02 0.02 -4.53 119.74 114.92 2i0y s LYS 793 Ca 0.44 -0.51 0.11 0.00 0.02 0.00 0.00 55.97 56.04 2i0y s LYS 793 Cb -0.18 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.19 2i0y s LYS 793 CO 0.23 -0.06 -0.18 0.96 -0.92 0.00 0.00 175.35 175.38 2i0y s ILE 794 N -1.29 2.63 0.21 2.17 -4.36 -0.41 -1.07 121.20 119.09 2i0y s ILE 794 Ca -0.14 -2.09 -0.22 0.00 -0.26 0.00 0.00 60.65 57.94 2i0y s ILE 794 Cb -0.09 -2.32 0.07 0.00 1.25 0.00 0.00 42.46 41.37 2i0y s ILE 794 CO -0.00 -0.23 0.96 -0.83 0.24 0.00 0.00 174.94 175.07 2i0y s GLY 795 N -3.07 0.04 -0.50 6.27 0.00 -1.26 -0.47 107.32 108.33 2i0y s GLY 795 Ca 0.25 -0.27 -0.21 0.00 0.00 0.00 0.00 44.72 44.50 2i0y s GLY 795 CO 0.13 1.09 0.70 -0.35 0.00 0.00 0.00 173.10 174.67 2i0y s ASP 796 N -3.18 6.27 0.00 1.64 -1.08 -1.26 -4.85 116.67 114.20 2i0y s ASP 796 Ca 0.17 -0.66 0.14 0.00 -0.52 0.00 0.00 52.55 51.68 2i0y s ASP 796 Cb -0.03 -2.33 0.30 0.00 -1.46 0.00 0.00 42.92 39.40 2i0y s ASP 796 CO 0.06 -0.95 1.21 0.49 0.52 0.00 0.00 175.17 176.49 2i0y n PHE 797 N 6.49 0.40 -0.32 -5.34 0.99 -1.26 -4.72 117.46 113.70 2i0y n PHE 797 Ca -0.04 -0.33 0.13 0.00 -0.00 0.00 0.00 57.45 57.21 2i0y n PHE 797 Cb 0.46 -0.01 0.31 0.00 -1.00 0.00 0.00 39.48 39.24 2i0y n PHE 797 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2i0y h GLY 798 N 2.71 1.62 2.00 1.37 0.00 -1.89 -1.48 103.07 107.41 2i0y h GLY 798 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2i0y h GLY 798 CO 0.00 -0.18 0.00 1.41 0.00 0.00 0.00 176.54 177.77 2i0y h LEU 799 N 0.54 0.00 -2.22 3.11 3.38 -1.91 -2.78 115.31 115.43 2i0y h LEU 799 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 2i0y h LEU 799 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2i0y h LEU 799 CO -0.46 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.07 2i0y n ALA 800 N -1.92 2.28 -2.69 1.53 0.00 -0.63 -2.95 120.51 116.13 2i0y n ALA 800 Ca 0.01 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 2i0y n ALA 800 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 2i0y n ALA 800 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2i0y s ARG 801 N -0.84 4.40 -1.42 0.00 6.06 -0.74 -2.10 118.95 124.31 2i0y s ARG 801 Ca 0.13 1.18 -0.15 0.00 -2.50 0.00 0.00 55.73 54.39 2i0y s ARG 801 Cb 0.07 -3.53 0.05 0.00 0.06 0.00 0.00 34.95 31.60 2i0y s ARG 801 CO 0.10 -0.23 2.11 -3.47 -2.50 0.00 0.00 175.30 171.31 2i0y n ASP 802 N 4.77 4.13 0.06 -2.12 2.03 -1.13 -3.93 116.55 120.36 2i0y n ASP 802 Ca 0.05 -2.86 -0.03 0.00 0.52 0.00 0.00 54.79 52.47 2i0y n ASP 802 Cb 0.49 -1.68 0.20 0.00 -0.72 0.00 0.00 41.12 39.42 2i0y n ASP 802 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2i0y h ILE 803 N 4.35 1.29 -0.17 5.18 2.04 -1.91 -2.93 117.51 125.36 2i0y h ILE 803 Ca 0.54 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 2i0y h ILE 803 Cb 0.69 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2i0y h ILE 803 CO 1.79 0.44 -0.26 0.24 0.00 0.00 0.00 178.15 180.37 2i0y h MET 804 N 0.30 0.32 -0.41 2.37 2.86 -1.95 -3.17 114.93 115.26 2i0y h MET 804 Ca 0.03 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2i0y h MET 804 Cb 0.79 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2i0y h MET 804 CO 0.06 0.56 0.00 0.09 1.06 0.00 0.00 176.91 178.68 2i0y n ASN 805 N -4.14 3.15 -4.41 1.22 3.02 -1.22 -4.87 115.26 108.02 2i0y n ASN 805 Ca -0.01 -1.93 -0.40 0.00 -0.03 0.00 0.00 54.58 52.21 2i0y n ASN 805 Cb 0.38 -0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 2i0y n ASN 805 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2i0y s ASP 806 N -1.08 5.73 0.03 6.41 -1.08 -1.11 -4.96 116.67 120.62 2i0y s ASP 806 Ca 0.31 -0.83 0.08 0.00 -0.52 0.00 0.00 52.55 51.59 2i0y s ASP 806 Cb 0.17 -2.04 0.35 0.00 -1.46 0.00 0.00 42.92 39.95 2i0y s ASP 806 CO 0.23 -0.33 1.25 -1.54 0.52 0.00 0.00 175.17 175.30 2i0y n SER 807 N 5.01 0.07 0.14 -0.34 3.41 -1.26 -1.54 113.62 119.10 2i0y n SER 807 Ca -0.12 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 2i0y n SER 807 Cb 0.47 -0.54 0.46 0.00 -0.26 0.00 0.00 64.21 64.34 2i0y n SER 807 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2i0y h ASN 808 N 0.00 0.00 -3.54 4.04 -0.26 -1.93 -3.39 115.58 110.51 2i0y h ASN 808 Ca 0.00 0.00 -0.71 0.00 -0.56 0.00 0.00 56.30 55.03 2i0y h ASN 808 Cb 0.11 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 37.15 2i0y h ASN 808 CO 0.00 0.00 -0.46 -0.31 -1.06 0.00 0.00 177.43 175.60 2i0y s TYR 809 N -3.25 3.24 0.05 1.19 1.51 -0.59 -4.04 117.35 115.46 2i0y s TYR 809 Ca 0.07 -0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 55.14 2i0y s TYR 809 Cb 0.10 -2.53 -0.05 0.00 -0.11 0.00 0.00 41.96 39.37 2i0y s TYR 809 CO 0.50 -0.61 0.79 0.42 -1.11 0.00 0.00 175.55 175.55 2i0y s ILE 810 N 1.63 4.70 0.08 2.71 -1.09 0.14 -4.62 121.20 124.75 2i0y s ILE 810 Ca 0.04 1.69 -0.31 0.00 -2.23 0.00 0.00 60.65 59.84 2i0y s ILE 810 Cb -0.19 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.47 2i0y s ILE 810 CO 0.09 0.35 1.50 -0.69 -1.23 0.00 0.00 174.94 174.96 2i0y s VAL 811 N -0.03 3.20 -0.36 2.92 1.01 -1.26 -0.74 120.40 125.15 2i0y s VAL 811 Ca 0.40 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.13 2i0y s VAL 811 Cb -0.21 -3.48 0.14 0.00 0.00 0.00 0.00 36.38 32.83 2i0y s VAL 811 CO 0.24 0.03 0.25 -0.75 0.00 0.00 0.00 175.10 174.86 2i0y s LYS 812 N 1.89 0.57 0.00 2.72 2.36 -1.26 -4.94 119.74 121.08 2i0y s LYS 812 Ca 0.68 -1.26 0.00 0.00 -2.55 0.00 0.00 55.97 52.84 2i0y s LYS 812 Cb -0.38 -1.18 0.00 0.00 -1.05 0.00 0.00 37.83 35.22 2i0y s LYS 812 CO 0.30 -1.21 0.00 0.41 1.55 0.00 0.00 175.35 176.40 2i0y n GLY 813 N 4.04 0.93 0.50 5.54 0.00 -1.26 -4.66 105.19 110.28 2i0y n GLY 813 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2i0y n GLY 813 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0y n ALA 815 N 0.00 -1.12 -4.03 4.61 0.00 -1.26 -5.18 120.51 113.54 2i0y n ALA 815 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 2i0y n ALA 815 Cb 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.50 2i0y n ALA 815 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i0y s ARG 816 N -4.64 1.98 0.01 0.00 1.81 -1.26 -4.18 118.95 112.68 2i0y s ARG 816 Ca 0.00 -1.30 0.07 0.00 -1.72 0.00 0.00 55.73 52.78 2i0y s ARG 816 Cb 0.00 -2.83 -0.03 0.00 -0.45 0.00 0.00 34.95 31.65 2i0y s ARG 816 CO 0.00 -0.62 -0.21 -0.51 -0.68 0.00 0.00 175.30 173.28 2i0y s LEU 817 N 1.17 2.42 -1.41 2.53 1.43 0.08 -4.74 118.68 120.15 2i0y s LEU 817 Ca -0.06 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2i0y s LEU 817 Cb -0.20 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2i0y s LEU 817 CO -0.06 0.29 2.21 -0.81 0.23 0.00 0.00 176.35 178.21 2i0y n PRO 818 N 1.92 2.76 -0.30 1.29 -0.04 -1.26 0.28 135.00 139.65 2i0y n PRO 818 Ca -0.16 -2.54 0.12 0.00 -0.04 0.00 0.00 63.50 60.87 2i0y n PRO 818 Cb 0.52 -3.26 0.29 0.00 -0.04 0.00 0.00 33.50 31.01 2i0y n PRO 818 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2i0y h VAL 819 N 4.03 0.52 0.00 0.52 2.07 -1.92 -1.48 116.25 120.00 2i0y h VAL 819 Ca 0.56 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.93 2i0y h VAL 819 Cb 0.64 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2i0y h VAL 819 CO 1.89 0.08 0.00 0.29 0.02 0.00 0.00 177.57 179.86 2i0y n LYS 820 N -5.01 0.01 0.00 1.57 5.02 -1.26 -1.67 118.16 116.82 2i0y n LYS 820 Ca 0.21 0.37 0.07 0.00 -2.02 0.00 0.00 58.31 56.94 2i0y n LYS 820 Cb 0.61 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2i0y n LYS 820 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2i0y n TRP 821 N -1.56 0.00 -3.36 2.13 8.01 -0.56 -4.98 117.44 117.12 2i0y n TRP 821 Ca 0.02 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 55.84 2i0y n TRP 821 Cb 0.10 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.34 2i0y n TRP 821 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2i0y s MET 822 N -1.96 4.06 0.58 -0.99 -1.94 -0.67 -3.95 119.30 114.43 2i0y s MET 822 Ca 0.10 0.57 -0.18 0.00 -1.71 0.00 0.00 55.69 54.47 2i0y s MET 822 Cb 0.11 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 2i0y s MET 822 CO 0.44 0.60 1.13 0.00 -0.01 0.00 0.00 175.02 177.18 2i0y s ALA 823 N -1.23 2.61 0.20 3.03 0.00 -1.26 -4.84 121.76 120.28 2i0y s ALA 823 Ca 0.31 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 2i0y s ALA 823 Cb -0.17 -3.36 0.26 0.00 0.00 0.00 0.00 23.12 19.85 2i0y s ALA 823 CO 0.18 -0.96 1.74 -1.00 0.00 0.00 0.00 175.76 175.72 2i0y h PRO 824 N 0.82 0.36 -0.44 0.00 0.13 -1.94 -1.30 132.00 129.64 2i0y h PRO 824 Ca -0.49 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2i0y h PRO 824 Cb 1.26 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2i0y h PRO 824 CO 0.56 0.24 0.29 1.05 -0.23 0.00 0.00 178.00 179.91 2i0y h GLU 825 N 0.38 0.53 -0.07 0.86 9.09 -1.91 0.98 114.58 124.43 2i0y h GLU 825 Ca 0.29 -0.03 -0.14 0.00 0.05 0.00 0.00 59.36 59.53 2i0y h GLU 825 Cb 0.37 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 2i0y h GLU 825 CO -0.31 0.35 -0.57 0.77 0.05 0.00 0.00 179.01 179.30 2i0y h SER 826 N 0.55 0.26 0.15 3.06 0.02 -1.18 0.31 113.55 116.71 2i0y h SER 826 Ca 0.17 -0.14 -0.23 0.00 -0.84 0.00 0.00 61.79 60.75 2i0y h SER 826 Cb 0.01 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 62.49 2i0y h SER 826 CO -0.04 0.77 -1.06 0.40 -1.14 0.00 0.00 176.83 175.76 2i0y h ILE 827 N 0.17 1.35 0.01 3.27 2.04 -0.04 -3.06 117.51 121.25 2i0y h ILE 827 Ca -0.00 -2.52 -0.34 0.00 1.00 0.00 0.00 64.86 63.00 2i0y h ILE 827 Cb 1.05 3.05 -0.06 0.00 -0.74 0.00 0.00 36.82 40.13 2i0y h ILE 827 CO 0.09 0.72 -2.12 0.49 0.00 0.00 0.00 178.15 177.34 2i0y n PHE 828 N -4.02 0.50 0.46 1.37 3.72 0.32 -4.48 117.46 115.33 2i0y n PHE 828 Ca -0.17 0.16 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 2i0y n PHE 828 Cb 0.88 -1.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.34 2i0y n PHE 828 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2i0y n ASP 829 N -3.00 1.36 -3.39 4.37 8.00 0.70 -4.99 116.55 119.60 2i0y n ASP 829 Ca -0.29 -1.18 -0.24 0.00 0.71 0.00 0.00 54.79 53.79 2i0y n ASP 829 Cb 1.09 0.39 0.04 0.00 -0.02 0.00 0.00 41.12 42.61 2i0y n ASP 829 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i0y s VAL 831 N -3.20 5.28 -0.17 0.00 1.01 -0.73 -4.92 120.40 117.67 2i0y s VAL 831 Ca 0.46 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2i0y s VAL 831 Cb -0.22 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.81 2i0y s VAL 831 CO 0.57 0.47 -0.09 -0.31 0.00 0.00 0.00 175.10 175.74 2i0y s TYR 832 N 0.13 2.05 0.31 5.22 1.51 -1.26 -2.99 117.35 122.33 2i0y s TYR 832 Ca 0.08 -1.28 0.07 0.00 -1.01 0.00 0.00 57.07 54.93 2i0y s TYR 832 Cb -0.11 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 2i0y s TYR 832 CO -0.01 -0.67 0.27 0.25 -1.11 0.00 0.00 175.55 174.28 2i0y n THR 833 N 4.79 0.00 -0.04 -0.71 -2.24 -1.26 -5.00 114.28 109.81 2i0y n THR 833 Ca -0.14 -2.29 0.01 0.00 -2.27 0.00 0.00 64.05 59.35 2i0y n THR 833 Cb 0.48 1.14 0.31 0.00 -2.10 0.00 0.00 70.33 70.16 2i0y n THR 833 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2i0y h VAL 834 N 2.01 1.18 0.00 2.28 2.07 -1.99 -1.41 116.25 120.38 2i0y h VAL 834 Ca -0.22 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 2i0y h VAL 834 Cb 1.13 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2i0y h VAL 834 CO 0.32 0.22 -0.28 1.56 0.02 0.00 0.00 177.57 179.41 2i0y h GLN 835 N 0.62 0.00 -0.51 1.57 7.50 -1.94 -1.96 115.11 120.39 2i0y h GLN 835 Ca 0.15 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.21 2i0y h GLN 835 Cb 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 2i0y h GLN 835 CO -0.01 0.28 -0.02 0.77 -1.50 0.00 0.00 178.83 178.35 2i0y h SER 836 N 0.00 0.91 0.39 1.46 0.02 -1.64 -2.59 113.55 112.09 2i0y h SER 836 Ca -0.00 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 2i0y h SER 836 Cb 0.50 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2i0y h SER 836 CO 0.04 1.01 -0.29 0.44 -1.14 0.00 0.00 176.83 176.88 2i0y h ASP 837 N 0.78 0.00 -0.57 3.07 3.32 -1.11 -2.60 116.42 119.32 2i0y h ASP 837 Ca 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 2i0y h ASP 837 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2i0y h ASP 837 CO 0.03 0.29 0.10 0.58 -1.72 0.00 0.00 179.24 178.52 2i0y h VAL 838 N 0.00 1.25 -0.13 -1.35 2.07 -1.00 0.83 116.25 117.92 2i0y h VAL 838 Ca -0.00 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2i0y h VAL 838 Cb 0.56 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2i0y h VAL 838 CO 0.04 0.35 0.02 -0.25 0.02 0.00 0.00 177.57 177.74 2i0y h TRP 839 N 0.83 0.02 -0.71 1.57 2.91 -1.20 -1.79 115.95 117.58 2i0y h TRP 839 Ca 0.17 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.21 2i0y h TRP 839 Cb 0.40 0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.02 2i0y h TRP 839 CO 0.03 0.00 0.47 0.77 -1.03 0.00 0.00 178.44 178.68 2i0y h SER 840 N 0.06 0.80 0.11 2.65 0.02 -1.21 -0.03 113.55 115.95 2i0y h SER 840 Ca 0.06 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2i0y h SER 840 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2i0y h SER 840 CO -0.08 0.58 -0.13 0.22 -1.14 0.00 0.00 176.83 176.28 2i0y h TYR 841 N 0.94 0.06 -0.32 3.45 3.20 -0.21 -0.45 116.97 123.64 2i0y h TYR 841 Ca 0.26 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.98 2i0y h TYR 841 Cb -0.09 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2i0y h TYR 841 CO -0.00 0.18 -0.39 0.78 -1.64 0.00 0.00 178.16 177.10 2i0y h GLY 842 N 0.48 0.83 1.17 1.82 0.00 -0.18 -1.28 103.07 105.92 2i0y h GLY 842 Ca 0.01 -0.84 -0.11 0.00 0.00 0.00 0.00 47.33 46.39 2i0y h GLY 842 CO 0.02 0.75 -0.14 -2.22 0.00 0.00 0.00 176.54 174.95 2i0y h ILE 843 N 0.63 1.27 -0.80 2.60 1.08 -0.93 -2.22 117.51 119.13 2i0y h ILE 843 Ca 0.05 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.23 2i0y h ILE 843 Cb 0.94 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 2i0y h ILE 843 CO 0.09 0.45 0.46 0.25 -0.69 0.00 0.00 178.15 178.71 2i0y h LEU 844 N 0.85 0.98 -1.06 1.44 7.12 -0.86 -1.24 115.31 122.54 2i0y h LEU 844 Ca 0.13 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 2i0y h LEU 844 Cb 0.69 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.53 2i0y h LEU 844 CO 0.05 0.78 0.48 -0.07 -0.13 0.00 0.00 178.44 179.55 2i0y h LEU 845 N 1.11 1.00 -0.83 2.25 3.38 -0.91 -0.06 115.31 121.25 2i0y h LEU 845 Ca 0.29 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2i0y h LEU 845 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2i0y h LEU 845 CO -0.05 0.78 -0.09 -0.25 0.09 0.00 0.00 178.44 178.92 2i0y h TRP 846 N 1.14 0.85 -0.48 1.13 7.01 -0.79 -0.75 115.95 124.07 2i0y h TRP 846 Ca 0.30 -0.15 -0.07 0.00 2.11 0.00 0.00 58.89 61.08 2i0y h TRP 846 Cb -0.02 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 2i0y h TRP 846 CO 0.01 0.84 0.04 0.93 -2.79 0.00 0.00 178.44 177.46 2i0y h GLU 847 N 0.71 0.82 -0.11 2.65 5.08 -0.25 -2.12 114.58 121.35 2i0y h GLU 847 Ca 0.12 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2i0y h GLU 847 Cb 0.57 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2i0y h GLU 847 CO 0.04 0.85 0.04 0.82 -1.00 0.00 0.00 179.01 179.75 2i0y h ILE 848 N 0.69 1.18 -0.03 3.13 2.04 -0.79 0.50 117.51 124.22 2i0y h ILE 848 Ca 0.14 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2i0y h ILE 848 Cb 0.45 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2i0y h ILE 848 CO 0.02 0.16 0.00 0.49 0.00 0.00 0.00 178.15 178.82 2i0y n PHE 849 N -4.88 0.04 0.33 1.37 3.72 -0.31 -2.03 117.46 115.70 2i0y n PHE 849 Ca -0.06 -0.02 0.06 0.00 -0.05 0.00 0.00 57.45 57.38 2i0y n PHE 849 Cb 0.14 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.75 2i0y n PHE 849 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2i0y n SER 850 N -0.58 2.19 -3.40 4.37 3.41 -0.80 -1.56 113.62 117.25 2i0y n SER 850 Ca 0.16 -1.60 -0.21 0.00 -0.26 0.00 0.00 58.87 56.96 2i0y n SER 850 Cb 0.13 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.11 2i0y n SER 850 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2i0y n LEU 851 N 0.63 -3.45 0.00 1.04 4.77 -0.86 -3.83 117.00 115.31 2i0y n LEU 851 Ca 0.08 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2i0y n LEU 851 Cb 0.32 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.50 2i0y n LEU 851 CO 0.07 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2i0y n GLY 852 N -1.77 0.72 3.78 -0.72 0.00 0.17 -4.11 105.19 103.25 2i0y n GLY 852 Ca -0.05 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2i0y n GLY 852 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i0y s LEU 853 N 0.00 3.48 0.12 0.99 1.43 -1.25 -4.92 118.68 118.53 2i0y s LEU 853 Ca 0.00 2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 54.81 2i0y s LEU 853 Cb 0.00 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 2i0y s LEU 853 CO 0.00 -1.48 1.13 0.21 0.23 0.00 0.00 176.35 176.44 2i0y s ASN 854 N -2.45 7.20 0.71 2.29 3.84 -1.26 -4.76 114.94 120.51 2i0y s ASN 854 Ca 0.68 2.03 -0.16 0.00 0.21 0.00 0.00 52.86 55.61 2i0y s ASN 854 Cb -0.20 -2.59 0.01 0.00 -0.55 0.00 0.00 41.25 37.91 2i0y s ASN 854 CO 0.38 -0.32 1.09 -2.65 -2.79 0.00 0.00 177.10 172.80 2i0y n PRO 855 N 3.08 0.63 -3.70 0.43 -0.02 -1.26 -3.22 135.00 130.95 2i0y n PRO 855 Ca 0.05 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.52 2i0y n PRO 855 Cb 0.47 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2i0y n PRO 855 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2i0y n TYR 856 N -2.45 -1.90 -1.64 6.00 4.01 -1.26 -4.78 117.16 115.14 2i0y n TYR 856 Ca 0.14 0.55 -0.53 0.00 -0.16 0.00 0.00 57.90 57.90 2i0y n TYR 856 Cb 0.49 -3.60 -0.06 0.00 -0.31 0.00 0.00 39.34 35.86 2i0y n TYR 856 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2i0y n PRO 857 N -4.18 1.32 -0.29 -0.72 -0.04 -1.20 -1.31 135.00 128.59 2i0y n PRO 857 Ca -0.14 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2i0y n PRO 857 Cb 0.61 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 2i0y n PRO 857 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i0y n GLY 858 N 3.28 2.01 3.61 0.55 0.00 -1.26 -4.98 105.19 108.39 2i0y n GLY 858 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2i0y n GLY 858 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i0y s ILE 859 N -2.96 5.13 0.53 -0.61 1.01 -0.43 -5.06 121.20 118.82 2i0y s ILE 859 Ca 0.00 0.64 -0.16 0.00 0.00 0.00 0.00 60.65 61.13 2i0y s ILE 859 Cb 0.00 -3.75 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 2i0y s ILE 859 CO 0.00 0.11 1.00 -0.76 0.00 0.00 0.00 174.94 175.29 2i0y s LEU 860 N 2.16 3.59 -0.36 2.97 1.43 -1.26 -4.96 118.68 122.25 2i0y s LEU 860 Ca 0.17 1.61 -0.25 0.00 -1.03 0.00 0.00 54.13 54.63 2i0y s LEU 860 Cb -0.16 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.56 2i0y s LEU 860 CO 0.10 -0.71 0.87 -0.69 0.23 0.00 0.00 176.35 176.16 2i0y s VAL 861 N -2.61 4.65 0.01 -1.59 1.01 -1.26 -4.47 120.40 116.13 2i0y s VAL 861 Ca 0.60 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 2i0y s VAL 861 Cb -0.11 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2i0y s VAL 861 CO 0.33 -0.48 0.03 -0.46 0.00 0.00 0.00 175.10 174.52 2i0y n ASN 862 N 6.61 -0.05 -0.29 3.32 0.23 -1.26 -4.99 115.26 118.84 2i0y n ASN 862 Ca 0.06 -1.03 0.09 0.00 -0.53 0.00 0.00 54.58 53.17 2i0y n ASN 862 Cb 0.48 0.08 0.25 0.00 -2.08 0.00 0.00 39.78 38.50 2i0y n ASN 862 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2i0y h SER 863 N 0.05 0.33 -0.54 0.53 0.02 -1.99 -0.39 113.55 111.56 2i0y h SER 863 Ca -0.01 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2i0y h SER 863 Cb 0.03 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2i0y h SER 863 CO 0.01 0.07 0.34 0.11 -1.14 0.00 0.00 176.83 176.22 2i0y h LYS 864 N 0.45 0.67 0.26 3.45 6.56 -1.96 -0.91 116.57 125.10 2i0y h LYS 864 Ca 0.49 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 60.03 2i0y h LYS 864 Cb 0.83 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 32.33 2i0y h LYS 864 CO -0.46 0.44 -0.14 0.35 -2.06 0.00 0.00 179.45 177.58 2i0y h PHE 865 N 0.69 -0.37 -0.91 -1.35 3.57 -1.33 -1.15 116.94 116.09 2i0y h PHE 865 Ca 0.20 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.78 2i0y h PHE 865 Cb -0.04 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 2i0y h PHE 865 CO -0.05 -0.23 0.59 1.88 -2.23 0.00 0.00 178.31 178.28 2i0y h TYR 866 N -0.38 1.03 -0.51 0.41 0.99 -1.13 -1.30 116.97 116.08 2i0y h TYR 866 Ca -0.03 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 2i0y h TYR 866 Cb 0.30 -0.34 -0.02 0.00 1.00 0.00 0.00 36.73 37.68 2i0y h TYR 866 CO -0.07 0.51 -0.12 0.87 -0.00 0.00 0.00 178.16 179.35 2i0y h LYS 867 N 0.98 0.95 0.63 4.88 1.57 -0.88 -1.59 116.57 123.11 2i0y h LYS 867 Ca 0.41 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2i0y h LYS 867 Cb 0.29 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2i0y h LYS 867 CO -0.17 1.01 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.35 2i0y h LEU 868 N 0.85 -0.72 -0.70 2.94 3.38 -0.17 0.49 115.31 121.38 2i0y h LEU 868 Ca 0.13 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2i0y h LEU 868 Cb 0.66 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2i0y h LEU 868 CO 0.05 -0.44 0.41 -0.37 0.09 0.00 0.00 178.44 178.18 2i0y h VAL 869 N -0.96 1.02 -0.44 1.22 -1.51 -1.28 -0.97 116.25 113.33 2i0y h VAL 869 Ca -0.09 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 65.06 2i0y h VAL 869 Cb 0.68 0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 2i0y h VAL 869 CO 0.14 0.14 0.03 0.50 -1.23 0.00 0.00 177.57 177.16 2i0y h LYS 870 N 0.77 0.69 0.00 5.19 3.64 -1.24 -2.15 116.57 123.48 2i0y h LYS 870 Ca 0.30 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2i0y h LYS 870 Cb 0.13 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2i0y h LYS 870 CO -0.16 0.69 0.00 -0.25 -2.27 0.00 0.00 179.45 177.46 2i0y n ASP 871 N -4.26 0.00 0.00 4.20 8.00 0.16 -4.88 116.55 119.77 2i0y n ASP 871 Ca 0.02 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.15 2i0y n ASP 871 Cb 0.26 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2i0y n ASP 871 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i0y n GLY 872 N 0.71 1.03 3.77 0.44 0.00 -0.81 -5.05 105.19 105.28 2i0y n GLY 872 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2i0y n GLY 872 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2i0y s TYR 873 N -2.00 3.07 0.03 1.61 5.04 -0.52 -5.01 117.35 119.57 2i0y s TYR 873 Ca 0.00 1.48 0.02 0.00 -2.44 0.00 0.00 57.07 56.13 2i0y s TYR 873 Cb 0.00 -3.56 -0.02 0.00 0.35 0.00 0.00 41.96 38.73 2i0y s TYR 873 CO 0.00 -1.61 -0.07 -0.65 -1.34 0.00 0.00 175.55 171.88 2i0y s GLN 874 N -1.97 0.49 0.60 4.97 -0.21 -1.26 -4.64 119.66 117.65 2i0y s GLN 874 Ca 0.52 -0.58 -0.18 0.00 0.02 0.00 0.00 55.36 55.14 2i0y s GLN 874 Cb -0.36 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.30 2i0y s GLN 874 CO 0.47 0.07 1.18 -1.64 -2.12 0.00 0.00 175.29 173.25 2i0y s MET 875 N -1.13 2.96 0.73 2.91 -1.94 -1.26 -5.00 119.30 116.57 2i0y s MET 875 Ca -0.06 1.72 -0.12 0.00 -1.71 0.00 0.00 55.69 55.53 2i0y s MET 875 Cb -0.08 -1.94 0.03 0.00 2.01 0.00 0.00 34.83 34.86 2i0y s MET 875 CO 0.00 -1.19 1.09 0.00 -0.01 0.00 0.00 175.02 174.91 2i0y s ALA 876 N -1.75 2.39 0.22 3.03 0.00 -1.26 -4.95 121.76 119.44 2i0y s ALA 876 Ca 0.75 0.29 -0.32 0.00 0.00 0.00 0.00 51.96 52.68 2i0y s ALA 876 Cb -0.28 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 2i0y s ALA 876 CO 0.34 -1.54 1.48 0.94 0.00 0.00 0.00 175.76 176.97 2i0y n GLN 877 N -3.19 2.13 -2.18 0.00 7.27 -1.26 -4.94 117.38 115.20 2i0y n GLN 877 Ca 0.09 0.76 -0.35 0.00 0.07 0.00 0.00 57.00 57.57 2i0y n GLN 877 Cb 0.53 -2.46 0.01 0.00 2.41 0.00 0.00 30.24 30.73 2i0y n GLN 877 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2i0y s PRO 878 N -0.00 3.25 0.36 3.69 0.02 -1.26 -4.94 135.00 136.12 2i0y s PRO 878 Ca 0.71 1.69 0.11 0.00 0.02 0.00 0.00 61.00 63.52 2i0y s PRO 878 Cb -0.65 -2.00 0.87 0.00 0.02 0.00 0.00 34.50 32.75 2i0y s PRO 878 CO 0.46 -0.95 1.83 0.00 -0.33 0.00 0.00 177.00 178.01 2i0y h ALA 879 N 1.13 1.90 -0.56 -1.55 0.00 -1.93 -2.53 119.26 115.73 2i0y h ALA 879 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2i0y h ALA 879 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2i0y h ALA 879 CO 0.56 -0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.80 2i0y n PHE 880 N -4.62 0.79 -3.18 0.00 3.01 -0.60 -4.95 117.46 107.90 2i0y n PHE 880 Ca 0.21 -0.51 -0.39 0.00 1.01 0.00 0.00 57.45 57.76 2i0y n PHE 880 Cb 0.59 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.98 2i0y n PHE 880 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i0y s ALA 881 N -1.07 3.47 0.62 4.37 0.00 -0.96 -4.96 121.76 123.23 2i0y s ALA 881 Ca 0.38 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 2i0y s ALA 881 Cb 0.20 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 2i0y s ALA 881 CO 0.25 -0.25 1.10 -2.14 0.00 0.00 0.00 175.76 174.73 2i0y s PRO 882 N 1.18 3.05 0.32 0.00 0.02 -1.26 -4.78 135.00 133.53 2i0y s PRO 882 Ca 0.29 1.40 0.10 0.00 0.02 0.00 0.00 61.00 62.82 2i0y s PRO 882 Cb -0.16 -1.98 0.92 0.00 0.02 0.00 0.00 34.50 33.29 2i0y s PRO 882 CO 0.12 -1.05 1.72 -0.22 -0.33 0.00 0.00 177.00 177.24 2i0y h LYS 883 N 0.40 0.53 -0.22 5.54 3.64 -1.97 0.16 116.57 124.66 2i0y h LYS 883 Ca -0.48 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 2i0y h LYS 883 Cb 1.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2i0y h LYS 883 CO 0.55 0.35 -0.17 -0.91 -2.27 0.00 0.00 179.45 177.01 2i0y h ASN 884 N 0.55 0.36 -0.08 4.20 4.21 -1.90 -0.02 115.58 122.90 2i0y h ASN 884 Ca 0.65 -0.09 -0.21 0.00 1.21 0.00 0.00 56.30 57.86 2i0y h ASN 884 Cb 1.28 -0.10 0.01 0.00 -1.12 0.00 0.00 38.32 38.39 2i0y h ASN 884 CO -0.48 0.55 -0.74 0.40 -1.29 0.00 0.00 177.43 175.87 2i0y h ILE 885 N 0.34 1.30 -0.10 2.81 1.08 -1.35 -2.79 117.51 118.80 2i0y h ILE 885 Ca 0.06 -1.98 -0.06 0.00 -0.39 0.00 0.00 64.86 62.50 2i0y h ILE 885 Cb 0.50 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 2i0y h ILE 885 CO 0.03 0.62 -0.20 0.22 -0.69 0.00 0.00 178.15 178.13 2i0y h TYR 886 N 0.50 0.18 -0.04 1.37 3.20 -0.84 -1.26 116.97 120.08 2i0y h TYR 886 Ca -0.04 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 2i0y h TYR 886 Cb 1.36 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 2i0y h TYR 886 CO 0.08 0.37 -0.12 0.77 -1.64 0.00 0.00 178.16 177.61 2i0y h SER 887 N 0.16 0.05 -0.26 -2.11 0.02 -0.74 -1.60 113.55 109.05 2i0y h SER 887 Ca 0.03 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2i0y h SER 887 Cb 0.46 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2i0y h SER 887 CO 0.03 0.18 -0.28 0.40 -1.14 0.00 0.00 176.83 176.02 2i0y h ILE 888 N 0.05 1.31 -0.40 3.27 2.04 -1.07 -2.22 117.51 120.50 2i0y h ILE 888 Ca 0.01 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.46 2i0y h ILE 888 Cb 0.25 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2i0y h ILE 888 CO 0.02 0.46 0.15 0.24 0.00 0.00 0.00 178.15 179.02 2i0y h MET 889 N 0.38 0.31 -0.93 2.37 2.86 -1.11 -0.33 114.93 118.48 2i0y h MET 889 Ca 0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2i0y h MET 889 Cb 0.85 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 2i0y h MET 889 CO 0.07 0.21 0.59 1.96 1.06 0.00 0.00 176.91 180.80 2i0y h GLN 890 N 0.32 1.25 -0.47 1.72 4.20 -1.27 -0.88 115.11 119.98 2i0y h GLN 890 Ca 0.18 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2i0y h GLN 890 Cb 0.15 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2i0y h GLN 890 CO -0.17 0.85 0.14 0.00 -0.67 0.00 0.00 178.83 178.97 2i0y h ALA 891 N 1.33 0.62 0.00 3.87 0.00 -0.75 -2.31 119.26 122.01 2i0y h ALA 891 Ca 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2i0y h ALA 891 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2i0y h ALA 891 CO -0.07 0.28 -0.14 0.00 0.00 0.00 0.00 179.25 179.32 2i0y n TRP 893 N -4.19 1.26 -1.94 0.00 8.01 -0.39 -3.76 117.44 116.44 2i0y n TRP 893 Ca -0.02 -0.46 -0.41 0.00 -1.31 0.00 0.00 57.50 55.29 2i0y n TRP 893 Cb 0.22 -0.30 -0.02 0.00 -2.01 0.00 0.00 31.31 29.20 2i0y n TRP 893 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2i0y s ALA 894 N -2.01 3.68 0.27 6.99 0.00 -1.00 -4.88 121.76 124.81 2i0y s ALA 894 Ca 0.37 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.69 2i0y s ALA 894 Cb 0.26 -3.59 0.34 0.00 0.00 0.00 0.00 23.12 20.14 2i0y s ALA 894 CO 0.14 -0.81 1.87 -0.07 0.00 0.00 0.00 175.76 176.89 2i0y h LEU 895 N 5.28 0.95 -8.78 0.00 3.38 -1.92 -3.39 115.31 110.83 2i0y h LEU 895 Ca -0.46 -0.10 -0.57 0.00 0.09 0.00 0.00 57.88 56.84 2i0y h LEU 895 Cb 1.22 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2i0y h LEU 895 CO 0.80 0.80 0.81 -0.70 0.09 0.00 0.00 178.44 180.24 2i0y s GLU 896 N -5.60 3.79 0.42 1.13 2.12 -1.26 -4.92 118.70 114.37 2i0y s GLU 896 Ca -0.11 0.62 0.23 0.00 0.36 0.00 0.00 54.97 56.06 2i0y s GLU 896 Cb 0.17 -3.86 1.21 0.00 0.26 0.00 0.00 34.13 31.91 2i0y s GLU 896 CO 0.81 -1.19 1.76 -1.35 -0.54 0.00 0.00 175.26 174.75 2i0y h PRO 897 N 8.85 0.29 0.00 4.30 0.11 -1.97 0.16 132.00 143.74 2i0y h PRO 897 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2i0y h PRO 897 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2i0y h PRO 897 CO 1.07 0.19 0.00 0.25 -0.21 0.00 0.00 178.00 179.30 2i0y n THR 898 N -4.57 0.08 1.17 -1.15 -2.24 -1.26 -2.73 114.28 103.58 2i0y n THR 898 Ca 0.27 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 2i0y n THR 898 Cb 1.00 -0.55 0.23 0.00 -2.10 0.00 0.00 70.33 68.91 2i0y n THR 898 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2i0y n HIS 899 N -1.36 0.00 -3.15 4.78 -0.00 0.57 -4.90 115.22 111.17 2i0y n HIS 899 Ca 0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.50 2i0y n HIS 899 Cb 0.26 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.16 2i0y n HIS 899 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2i0y s ARG 900 N -2.29 4.06 0.95 1.57 0.52 -1.11 -4.89 118.95 117.77 2i0y s ARG 900 Ca 0.26 0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 56.05 2i0y s ARG 900 Cb 0.19 -2.59 0.16 0.00 0.52 0.00 0.00 34.95 33.23 2i0y s ARG 900 CO 0.45 0.24 1.12 -1.25 0.02 0.00 0.00 175.30 175.88 2i0y s PRO 901 N -2.65 0.84 0.46 3.54 0.04 -1.26 -5.05 135.00 130.92 2i0y s PRO 901 Ca 0.50 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.95 2i0y s PRO 901 Cb -0.12 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2i0y s PRO 901 CO 0.19 -2.43 0.67 0.95 0.04 0.00 0.00 177.00 176.42 2i0y s THR 902 N -3.13 3.81 0.36 1.26 -4.23 -1.26 -4.96 115.64 107.49 2i0y s THR 902 Ca 0.64 -0.56 0.09 0.00 -1.18 0.00 0.00 61.69 60.69 2i0y s THR 902 Cb -0.16 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 70.38 2i0y s THR 902 CO 0.55 -0.28 1.84 -0.26 -0.54 0.00 0.00 174.62 175.93 2i0y h PHE 903 N 0.39 0.22 -0.66 3.99 0.04 -1.93 -1.75 116.94 117.24 2i0y h PHE 903 Ca -0.45 -0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.21 2i0y h PHE 903 Cb 1.26 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 2i0y h PHE 903 CO 0.44 0.45 0.15 0.37 -0.60 0.00 0.00 178.31 179.12 2i0y h GLN 904 N 0.18 1.06 -0.25 1.51 5.75 -1.92 -0.58 115.11 120.86 2i0y h GLN 904 Ca 0.03 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 58.16 2i0y h GLN 904 Cb 0.55 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 2i0y h GLN 904 CO 0.04 0.94 -0.36 1.96 -2.65 0.00 0.00 178.83 178.76 2i0y h GLN 905 N 1.00 0.56 -0.34 1.69 4.20 -1.84 -2.50 115.11 117.88 2i0y h GLN 905 Ca 0.21 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2i0y h GLN 905 Cb 0.36 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2i0y h GLN 905 CO 0.00 0.84 0.08 0.82 -0.67 0.00 0.00 178.83 179.90 2i0y h ILE 906 N 0.47 1.22 -0.24 2.54 2.04 -0.82 -2.15 117.51 120.58 2i0y h ILE 906 Ca 0.05 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.20 2i0y h ILE 906 Cb 0.85 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 2i0y h ILE 906 CO 0.07 0.25 -0.07 0.00 0.00 0.00 0.00 178.15 178.41 2i0y h SER 908 N -0.01 0.59 -0.59 0.00 0.87 -1.35 0.58 113.55 113.64 2i0y h SER 908 Ca 0.12 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 2i0y h SER 908 Cb 0.19 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2i0y h SER 908 CO -0.25 0.41 0.17 0.15 -0.53 0.00 0.00 176.83 176.78 2i0y h PHE 909 N 0.72 0.97 -0.17 2.24 3.57 -1.00 0.41 116.94 123.68 2i0y h PHE 909 Ca 0.25 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 2i0y h PHE 909 Cb 0.05 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2i0y h PHE 909 CO -0.06 0.81 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.33 2i0y h LEU 910 N 0.84 0.42 -0.54 0.59 3.38 -0.61 -2.67 115.31 116.73 2i0y h LEU 910 Ca 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2i0y h LEU 910 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2i0y h LEU 910 CO -0.00 0.80 0.25 -0.61 0.09 0.00 0.00 178.44 178.97 2i0y h GLN 911 N 0.33 0.78 0.00 1.13 4.15 0.77 0.31 115.11 122.58 2i0y h GLN 911 Ca 0.03 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.32 2i0y h GLN 911 Cb 0.89 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2i0y h GLN 911 CO 0.07 0.65 0.00 0.39 -1.93 0.00 0.00 178.83 178.02 2i0y n GLU 912 N -4.56 0.35 0.00 1.69 1.02 0.08 -4.84 120.64 114.38 2i0y n GLU 912 Ca 0.03 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2i0y n GLU 912 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2i0y n GLU 912 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2i0y n GLN 913 N -1.12 0.00 0.00 3.49 6.02 0.11 -4.75 117.38 121.13 2i0y n GLN 913 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2i0y n GLN 913 Cb 0.08 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.34 2i0y n GLN 913 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i0y n ALA 914 N 0.00 0.00 -3.64 -1.58 0.00 -1.22 -4.65 120.51 109.43 2i0y n ALA 914 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2i0y n ALA 914 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2i0y n ALA 914 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2i0y s GLN 915 N 0.00 0.07 0.00 0.00 -0.21 -1.26 -4.75 119.66 113.51 2i0y s GLN 915 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.41 2i0y s GLN 915 Cb 0.00 0.04 0.00 0.00 1.00 0.00 0.00 33.01 34.05 2i0y s GLN 915 CO 0.00 -0.02 0.43 -0.85 -2.12 0.00 0.00 175.29 172.72