#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb s ALA 579 N 0.00 2.84 -0.23 0.62 0.00 -1.26 -4.50 121.76 119.23 2kvb s ALA 579 Ca 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 2kvb s ALA 579 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2kvb s ALA 579 CO 0.00 -3.21 0.02 0.39 0.00 0.00 0.00 175.76 172.95 2kvb n GLU 580 N 8.87 -2.82 -3.70 0.00 4.71 -1.26 -5.01 120.64 121.43 2kvb n GLU 580 Ca 0.06 2.36 -0.29 0.00 -0.01 0.00 0.00 57.16 59.29 2kvb n GLU 580 Cb 0.48 -4.29 -0.12 0.00 -1.01 0.00 0.00 31.44 26.50 2kvb n GLU 580 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kvb s ALA 581 N -1.40 2.41 0.81 0.62 0.00 -1.26 -5.11 121.76 117.83 2kvb s ALA 581 Ca -0.02 -2.86 -0.06 0.00 0.00 0.00 0.00 51.96 49.02 2kvb s ALA 581 Cb 0.00 -1.90 0.16 0.00 0.00 0.00 0.00 23.12 21.38 2kvb s ALA 581 CO 0.59 -2.05 1.11 -1.83 0.00 0.00 0.00 175.76 173.58 2kvb s GLU 582 N -0.13 1.29 -0.25 0.00 -1.05 -1.26 -4.14 118.70 113.16 2kvb s GLU 582 Ca 0.22 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 2kvb s GLU 582 Cb -0.14 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 31.38 2kvb s GLU 582 CO -0.07 -1.80 0.00 1.19 0.95 0.00 0.00 175.26 175.52 2kvb n PHE 583 N -3.16 0.00 0.00 4.83 3.72 -1.19 -4.86 117.46 116.80 2kvb n PHE 583 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2kvb n PHE 583 Cb 0.60 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 2kvb n PHE 583 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2kvb n LEU 584 N -0.27 0.00 -0.00 4.37 7.94 -1.26 -4.99 117.00 122.78 2kvb n LEU 584 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2kvb n LEU 584 Cb 0.27 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.22 2kvb n LEU 584 CO 0.04 0.00 -0.50 -1.20 -1.11 0.00 0.00 177.39 174.61 2kvb n SER 585 N -0.73 4.93 -4.59 1.96 7.64 -1.26 -4.98 113.62 116.59 2kvb n SER 585 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2kvb n SER 585 Cb 0.00 0.97 -0.11 0.00 -1.01 0.00 0.00 64.21 64.06 2kvb n SER 585 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kvb s ARG 586 N -2.02 3.85 -0.05 1.43 0.52 -1.26 -2.21 118.95 119.22 2kvb s ARG 586 Ca -0.00 -0.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 2kvb s ARG 586 Cb 0.00 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 2kvb s ARG 586 CO 0.01 0.27 -0.24 0.99 0.02 0.00 0.00 175.30 176.36 2kvb s THR 587 N 0.33 2.18 -0.11 0.02 2.01 0.91 -3.19 115.64 117.80 2kvb s THR 587 Ca 0.01 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 2kvb s THR 587 Cb -0.13 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2kvb s THR 587 CO 0.01 0.57 0.04 -0.70 -0.69 0.00 0.00 174.62 173.86 2kvb s GLU 588 N -0.36 3.27 0.00 4.92 2.12 -1.26 0.47 118.70 127.85 2kvb s GLU 588 Ca 0.02 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.02 2kvb s GLU 588 Cb -0.12 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2kvb s GLU 588 CO 0.02 0.65 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 2kvb n GLY 589 N 2.35 0.91 0.00 -1.50 0.00 0.16 -4.77 105.19 102.34 2kvb n GLY 589 Ca -0.19 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2kvb n GLY 589 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvb n ASP 590 N -0.97 0.00 -4.24 1.61 8.00 -0.11 -4.49 116.55 116.35 2kvb n ASP 590 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 2kvb n ASP 590 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2kvb n ASP 590 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kvb s ASN 591 N 0.13 5.62 0.00 -2.24 2.20 -1.26 -3.35 114.94 116.04 2kvb s ASN 591 Ca 0.00 -1.67 0.00 0.00 -0.94 0.00 0.00 52.86 50.25 2kvb s ASN 591 Cb 0.00 -1.98 0.00 0.00 -2.00 0.00 0.00 41.25 37.27 2kvb s ASN 591 CO 0.00 -0.59 0.00 0.00 -2.94 0.00 0.00 177.10 173.57 2kvb s THR 593 N -1.39 0.21 -0.04 0.00 -4.23 -1.26 -2.25 115.64 106.68 2kvb s THR 593 Ca 0.00 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 2kvb s THR 593 Cb 0.00 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.56 2kvb s THR 593 CO 0.00 -0.26 -0.12 0.54 -0.54 0.00 0.00 174.62 174.24 2kvb s VAL 594 N -0.88 1.01 -0.05 2.29 0.11 0.61 -0.94 120.40 122.56 2kvb s VAL 594 Ca -0.08 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 2kvb s VAL 594 Cb -0.06 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2kvb s VAL 594 CO -0.00 0.31 -0.07 0.12 -3.33 0.00 0.00 175.10 172.12 2kvb s PHE 595 N 0.26 0.96 -0.04 1.54 5.36 -1.26 -0.24 117.98 124.56 2kvb s PHE 595 Ca -0.06 -0.29 0.07 0.00 -0.96 0.00 0.00 56.93 55.69 2kvb s PHE 595 Cb -0.11 -0.76 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 2kvb s PHE 595 CO 0.01 -0.19 -0.25 0.16 -1.46 0.00 0.00 175.22 173.49 2kvb s ASP 596 N 0.71 3.09 0.46 6.13 -4.77 -1.17 -4.77 116.67 116.35 2kvb s ASP 596 Ca -0.11 -0.48 0.25 0.00 -3.30 0.00 0.00 52.55 48.91 2kvb s ASP 596 Cb -0.14 -0.57 0.96 0.00 -1.09 0.00 0.00 42.92 42.08 2kvb s ASP 596 CO 0.01 0.29 1.84 0.77 0.70 0.00 0.00 175.17 178.78 2kvb h SER 597 N 5.73 0.00 0.09 2.11 4.64 -1.96 -1.29 113.55 122.88 2kvb h SER 597 Ca -0.38 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.75 2kvb h SER 597 Cb 1.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2kvb h SER 597 CO 0.47 0.19 -0.79 0.06 -0.87 0.00 0.00 176.83 175.89 2kvb h GLN 598 N 0.00 0.37 0.00 4.77 3.07 -1.98 -3.31 115.11 118.04 2kvb h GLN 598 Ca -0.00 -0.52 -0.04 0.00 0.09 0.00 0.00 58.65 58.18 2kvb h GLN 598 Cb 0.73 0.18 -0.01 0.00 0.08 0.00 0.00 27.48 28.46 2kvb h GLN 598 CO 0.02 1.21 -1.50 0.00 0.09 0.00 0.00 178.83 178.65 2kvb n ALA 599 N -2.64 2.52 -2.59 0.06 0.00 -1.26 -4.96 120.51 111.64 2kvb n ALA 599 Ca -0.13 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 2kvb n ALA 599 Cb 0.79 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 19.34 2kvb n ALA 599 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 600 N 1.26 -0.12 3.30 0.00 0.00 -0.49 -5.00 105.19 104.14 2kvb n GLY 600 Ca -0.04 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2kvb n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 601 N -2.86 2.57 -0.17 1.61 0.08 -1.21 -4.95 117.98 113.05 2kvb s PHE 601 Ca 0.13 -0.72 -0.13 0.00 0.12 0.00 0.00 56.93 56.33 2kvb s PHE 601 Cb -0.06 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2kvb s PHE 601 CO 0.17 -0.22 0.28 0.45 -0.10 0.00 0.00 175.22 175.79 2kvb s SER 602 N -0.01 6.40 -0.10 1.36 0.15 -1.26 -3.05 113.70 117.19 2kvb s SER 602 Ca -0.07 0.47 -0.00 0.00 0.70 0.00 0.00 55.95 57.04 2kvb s SER 602 Cb -0.15 -2.17 0.02 0.00 -1.71 0.00 0.00 66.02 62.01 2kvb s SER 602 CO 0.05 0.10 -0.07 -0.36 1.20 0.00 0.00 173.24 174.16 2kvb s PHE 603 N 0.51 1.36 -0.19 3.44 0.08 0.67 -5.01 117.98 118.84 2kvb s PHE 603 Ca 0.15 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 2kvb s PHE 603 Cb -0.13 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 2kvb s PHE 603 CO 0.03 -0.46 -0.13 0.16 -0.10 0.00 0.00 175.22 174.72 2kvb s ASP 604 N 1.64 3.67 -0.35 1.36 -4.77 -1.26 -0.28 116.67 116.68 2kvb s ASP 604 Ca 0.03 -0.51 0.08 0.00 -3.30 0.00 0.00 52.55 48.84 2kvb s ASP 604 Cb -0.13 -1.59 0.60 0.00 -1.09 0.00 0.00 42.92 40.71 2kvb s ASP 604 CO -0.07 0.01 1.68 0.18 0.70 0.00 0.00 175.17 177.67 2kvb n LEU 605 N 4.55 5.35 -0.30 2.11 4.77 -0.96 -4.71 117.00 127.82 2kvb n LEU 605 Ca -0.20 -3.59 -0.04 0.00 -0.03 0.00 0.00 56.01 52.15 2kvb n LEU 605 Cb 0.51 -0.72 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2kvb n LEU 605 CO 0.28 1.09 1.21 0.71 -1.33 0.00 0.00 177.39 179.34 2kvb h THR 606 N 1.27 1.22 0.00 -5.08 1.35 -1.93 -1.66 112.91 108.08 2kvb h THR 606 Ca 0.37 -0.42 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2kvb h THR 606 Cb 2.19 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2kvb h THR 606 CO 0.69 0.22 -0.00 -0.65 -0.25 0.00 0.00 175.52 175.53 2kvb h PRO 607 N 1.13 0.00 0.00 4.72 0.11 -1.96 -1.72 132.00 134.28 2kvb h PRO 607 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2kvb h PRO 607 Cb -0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.01 2kvb h PRO 607 CO -0.06 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.66 2kvb h LEU 608 N 0.00 0.00 -9.39 2.35 4.07 -1.62 -3.43 115.31 107.30 2kvb h LEU 608 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 2kvb h LEU 608 Cb 0.22 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2kvb h LEU 608 CO 0.00 0.00 0.54 -0.89 -1.08 0.00 0.00 178.44 177.01 2kvb s THR 609 N -3.26 4.43 0.01 0.22 2.01 -0.65 -4.18 115.64 114.22 2kvb s THR 609 Ca 0.07 1.74 0.03 0.00 0.31 0.00 0.00 61.69 63.84 2kvb s THR 609 Cb 0.09 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2kvb s THR 609 CO 0.59 0.08 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.97 2kvb s LYS 610 N 1.48 0.70 0.27 4.92 1.02 -1.26 -4.98 119.74 121.88 2kvb s LYS 610 Ca 0.55 -0.48 0.07 0.00 0.02 0.00 0.00 55.97 56.13 2kvb s LYS 610 Cb -0.24 -0.65 0.34 0.00 -0.52 0.00 0.00 37.83 36.76 2kvb s LYS 610 CO 0.25 0.17 1.61 0.87 -0.92 0.00 0.00 175.35 177.33 2kvb h LYS 611 N 5.46 0.14 -0.39 1.68 6.56 -1.94 -3.04 116.57 125.03 2kvb h LYS 611 Ca -0.33 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 2kvb h LYS 611 Cb 1.18 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.84 2kvb h LYS 611 CO 0.47 0.67 0.26 -0.44 -2.06 0.00 0.00 179.45 178.35 2kvb h ASP 612 N 0.11 0.45 -3.81 0.86 3.32 -1.94 -3.35 116.42 112.06 2kvb h ASP 612 Ca -0.00 -0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.22 2kvb h ASP 612 Cb 1.04 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.37 2kvb h ASP 612 CO 0.08 0.33 -0.69 0.00 -1.72 0.00 0.00 179.24 177.24 2kvb n ALA 613 N -2.48 -2.04 -3.00 3.45 0.00 -1.15 -4.91 120.51 110.38 2kvb n ALA 613 Ca 0.03 0.51 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 2kvb n ALA 613 Cb 0.06 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 2kvb n ALA 613 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kvb s TYR 614 N -3.74 3.08 -0.11 0.00 1.51 -0.14 -4.96 117.35 112.99 2kvb s TYR 614 Ca 0.00 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2kvb s TYR 614 Cb 0.00 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2kvb s TYR 614 CO 0.00 -0.13 -0.07 0.21 -1.11 0.00 0.00 175.55 174.45 2kvb s LYS 615 N 0.80 3.14 -0.10 -0.62 2.20 -1.25 -0.76 119.74 123.15 2kvb s LYS 615 Ca 0.01 -0.55 -0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2kvb s LYS 615 Cb -0.14 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 2kvb s LYS 615 CO 0.02 0.47 -0.08 0.08 -0.36 0.00 0.00 175.35 175.48 2kvb s VAL 616 N -0.27 3.57 -0.06 4.02 1.01 0.68 -4.93 120.40 124.41 2kvb s VAL 616 Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2kvb s VAL 616 Cb -0.13 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2kvb s VAL 616 CO 0.02 0.56 -0.15 -1.61 0.00 0.00 0.00 175.10 173.93 2kvb s GLU 617 N -0.32 2.64 0.00 2.72 2.02 -1.26 0.05 118.70 124.55 2kvb s GLU 617 Ca 0.04 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2kvb s GLU 617 Cb -0.13 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.70 2kvb s GLU 617 CO 0.02 0.54 0.00 0.25 0.02 0.00 0.00 175.26 176.10 2kvb n THR 618 N 2.54 0.00 -0.14 3.63 -2.24 0.97 -4.99 114.28 114.05 2kvb n THR 618 Ca -0.17 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2kvb n THR 618 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2kvb n THR 618 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kvb h ASP 619 N 0.00 0.60 0.00 3.42 3.58 -2.04 -3.37 116.42 118.61 2kvb h ASP 619 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2kvb h ASP 619 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2kvb h ASP 619 CO 0.00 0.65 0.00 0.29 -2.88 0.00 0.00 179.24 177.30 2kvb n LYS 620 N -4.58 4.00 -4.40 0.28 5.02 -1.26 -5.00 118.16 112.22 2kvb n LYS 620 Ca -0.00 -0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 2kvb n LYS 620 Cb 0.18 -0.36 -0.12 0.00 -0.02 0.00 0.00 35.03 34.72 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2kvb s TYR 621 N -0.58 2.19 0.00 2.13 1.51 -1.26 -0.09 117.35 121.25 2kvb s TYR 621 Ca 0.00 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 2kvb s TYR 621 Cb 0.00 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 2kvb s TYR 621 CO 0.00 0.44 -0.12 -1.83 -1.11 0.00 0.00 175.55 172.93 2kvb s GLU 622 N -2.61 0.94 -0.14 -0.62 -1.05 -0.60 -0.02 118.70 114.60 2kvb s GLU 622 Ca 0.19 -0.51 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 2kvb s GLU 622 Cb -0.08 -0.91 0.01 0.00 -0.44 0.00 0.00 34.13 32.71 2kvb s GLU 622 CO 0.09 0.24 -0.20 -0.06 0.95 0.00 0.00 175.26 176.28 2kvb s PHE 623 N -0.43 2.70 -0.21 4.83 0.40 0.11 -1.90 117.98 123.48 2kvb s PHE 623 Ca 0.04 -1.29 -0.06 0.00 -0.60 0.00 0.00 56.93 55.02 2kvb s PHE 623 Cb -0.05 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 2kvb s PHE 623 CO -0.00 -0.59 0.02 -1.01 0.70 0.00 0.00 175.22 174.34 2kvb s HIS 624 N 0.83 3.06 0.06 0.36 3.76 -0.13 -0.23 115.29 123.00 2kvb s HIS 624 Ca -0.06 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 2kvb s HIS 624 Cb -0.15 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 2kvb s HIS 624 CO -0.02 -0.23 -0.05 0.96 -0.85 0.00 0.00 174.74 174.55 2kvb s ILE 625 N 1.05 0.43 0.06 0.60 -4.36 0.06 -0.35 121.20 118.70 2kvb s ILE 625 Ca 0.03 -1.50 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2kvb s ILE 625 Cb -0.14 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 2kvb s ILE 625 CO 0.02 -0.71 -0.10 0.21 0.24 0.00 0.00 174.94 174.60 2kvb s ASN 626 N -2.35 1.19 -0.49 4.36 2.47 -0.69 -0.96 114.94 118.47 2kvb s ASN 626 Ca -0.00 -0.65 -0.26 0.00 0.42 0.00 0.00 52.86 52.37 2kvb s ASN 626 Cb -0.01 0.01 0.03 0.00 -1.45 0.00 0.00 41.25 39.84 2kvb s ASN 626 CO -0.04 -0.20 1.00 -0.69 -3.72 0.00 0.00 177.10 173.45 2kvb s VAL 627 N -1.71 4.36 0.13 -5.21 1.01 -1.26 -4.81 120.40 112.92 2kvb s VAL 627 Ca -0.04 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2kvb s VAL 627 Cb -0.08 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.79 2kvb s VAL 627 CO 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 175.10 174.13 2kvb n GLY 629 N -1.49 0.31 3.99 0.00 0.00 0.41 -4.82 105.19 103.60 2kvb n GLY 629 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 2kvb n GLY 629 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kvb s PRO 630 N 0.00 2.67 -0.14 1.61 0.04 -1.26 -3.11 135.00 134.80 2kvb s PRO 630 Ca 0.00 -1.03 -0.03 0.00 0.04 0.00 0.00 61.00 59.98 2kvb s PRO 630 Cb 0.00 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 2kvb s PRO 630 CO 0.00 -0.50 -0.06 0.54 0.04 0.00 0.00 177.00 177.02 2kvb s VAL 631 N -2.56 3.70 -1.17 -0.36 0.11 0.14 -4.76 120.40 115.51 2kvb s VAL 631 Ca 0.56 -0.43 -0.10 0.00 -2.93 0.00 0.00 61.98 59.09 2kvb s VAL 631 Cb -0.10 -2.60 0.23 0.00 -1.53 0.00 0.00 36.38 32.38 2kvb s VAL 631 CO 0.36 0.51 1.38 -0.24 -3.33 0.00 0.00 175.10 173.77 2kvb n SER 632 N 3.44 5.51 -4.33 3.54 2.88 -1.26 -4.70 113.62 118.70 2kvb n SER 632 Ca -0.18 -3.08 -0.32 0.00 -1.33 0.00 0.00 58.87 53.96 2kvb n SER 632 Cb 0.53 -1.44 -0.15 0.00 -0.75 0.00 0.00 64.21 62.39 2kvb n SER 632 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kvb s VAL 633 N -0.34 2.49 -0.58 2.46 1.01 -1.26 -4.75 120.40 119.44 2kvb s VAL 633 Ca 0.36 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2kvb s VAL 633 Cb -0.03 -1.96 0.09 0.00 0.00 0.00 0.00 36.38 34.49 2kvb s VAL 633 CO -0.01 0.56 0.83 0.61 0.00 0.00 0.00 175.10 177.09 2kvb n GLY 634 N 2.98 1.93 0.00 4.51 0.00 -1.26 -2.92 105.19 110.43 2kvb n GLY 634 Ca -0.18 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.75 2kvb n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb n ALA 635 N 0.16 2.29 -2.31 4.61 0.00 -1.26 -5.04 120.51 118.96 2kvb n ALA 635 Ca 0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 2kvb n ALA 635 Cb 0.48 -0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb s PRO 637 N -3.89 4.03 0.13 0.00 0.02 -1.26 -4.73 135.00 129.29 2kvb s PRO 637 Ca 0.28 2.15 0.12 0.00 0.02 0.00 0.00 61.00 63.57 2kvb s PRO 637 Cb 0.06 -2.80 0.58 0.00 0.02 0.00 0.00 34.50 32.36 2kvb s PRO 637 CO 0.08 -0.44 1.36 -2.30 -0.33 0.00 0.00 177.00 175.37 2kvb n PRO 638 N 0.23 0.07 0.00 5.54 -0.02 -1.26 -1.37 135.00 138.18 2kvb n PRO 638 Ca 0.03 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 2kvb n PRO 638 Cb 0.43 -1.69 0.82 0.00 -0.02 0.00 0.00 33.50 33.04 2kvb n PRO 638 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kvb n ASP 639 N -1.83 0.33 -4.63 2.55 8.00 -1.26 -4.58 116.55 115.13 2kvb n ASP 639 Ca 0.00 -0.98 -0.34 0.00 0.71 0.00 0.00 54.79 54.19 2kvb n ASP 639 Cb 0.06 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kvb s SER 640 N -2.10 4.90 0.00 -2.24 1.04 -0.47 -0.16 113.70 114.68 2kvb s SER 640 Ca 0.43 0.01 0.21 0.00 0.48 0.00 0.00 55.95 57.07 2kvb s SER 640 Cb 0.21 -1.27 -0.16 0.00 0.10 0.00 0.00 66.02 64.90 2kvb s SER 640 CO 0.38 0.34 0.95 0.61 0.98 0.00 0.00 173.24 176.50 2kvb n GLY 641 N 1.91 -0.86 3.16 7.32 0.00 0.10 0.28 105.19 117.11 2kvb n GLY 641 Ca -0.17 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 2kvb n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb s ALA 642 N -2.92 -0.86 -0.01 4.61 0.00 -1.21 -1.70 121.76 119.67 2kvb s ALA 642 Ca 0.10 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2kvb s ALA 642 Cb 0.16 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2kvb s ALA 642 CO 0.82 -0.47 0.01 0.00 0.00 0.00 0.00 175.76 176.12 2kvb s GLN 644 N 0.53 2.79 -0.04 0.00 -2.07 -0.72 -0.96 119.66 119.18 2kvb s GLN 644 Ca -0.04 -0.61 -0.00 0.00 -1.82 0.00 0.00 55.36 52.88 2kvb s GLN 644 Cb -0.07 -2.67 0.03 0.00 -1.09 0.00 0.00 33.01 29.21 2kvb s GLN 644 CO -0.01 0.62 0.00 0.54 -1.32 0.00 0.00 175.29 175.12 2kvb s VAL 645 N -1.09 0.23 -0.17 3.63 0.11 -0.80 -0.36 120.40 121.95 2kvb s VAL 645 Ca 0.20 0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 2kvb s VAL 645 Cb -0.12 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2kvb s VAL 645 CO 0.10 0.19 1.33 -0.44 -3.33 0.00 0.00 175.10 172.95 2kvb s SER 646 N 1.39 6.84 0.43 3.54 0.01 0.39 -1.55 113.70 124.74 2kvb s SER 646 Ca -0.04 1.69 0.29 0.00 1.31 0.00 0.00 55.95 59.20 2kvb s SER 646 Cb -0.13 -2.54 1.19 0.00 0.21 0.00 0.00 66.02 64.75 2kvb s SER 646 CO -0.02 -0.85 1.87 0.08 0.41 0.00 0.00 173.24 174.72 2kvb h ARG 647 N 8.65 0.00 0.02 12.44 0.11 -0.83 0.47 114.38 135.24 2kvb h ARG 647 Ca -0.28 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.74 2kvb h ARG 647 Cb 1.11 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.20 2kvb h ARG 647 CO 0.98 0.00 -0.24 1.03 0.10 0.00 0.00 179.97 181.84 2kvb h SER 648 N 0.00 0.18 0.00 0.08 0.87 -1.90 -3.39 113.55 109.40 2kvb h SER 648 Ca 0.00 -0.86 -0.02 0.00 -1.23 0.00 0.00 61.79 59.68 2kvb h SER 648 Cb 0.47 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2kvb h SER 648 CO 0.00 1.02 -1.79 -0.67 -0.53 0.00 0.00 176.83 174.86 2kvb n ASP 649 N -4.50 1.16 -0.73 6.23 -0.08 -1.16 -4.99 116.55 112.48 2kvb n ASP 649 Ca -0.10 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.10 2kvb n ASP 649 Cb 0.53 1.71 -0.02 0.00 2.34 0.00 0.00 41.12 45.68 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kvb n ARG 650 N -2.12 -0.57 -2.43 -0.67 3.00 0.16 -5.04 116.66 109.00 2kvb n ARG 650 Ca -0.05 0.54 -0.41 0.00 -0.01 0.00 0.00 57.85 57.93 2kvb n ARG 650 Cb 0.48 -4.41 -0.04 0.00 0.00 0.00 0.00 32.46 28.48 2kvb n ARG 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2kvb s LYS 651 N -3.61 4.56 0.06 5.56 -0.14 -1.24 -4.79 119.74 120.13 2kvb s LYS 651 Ca 0.00 1.82 0.05 0.00 -1.36 0.00 0.00 55.97 56.49 2kvb s LYS 651 Cb 0.00 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.89 2kvb s LYS 651 CO 0.00 0.04 -0.15 -1.12 -0.76 0.00 0.00 175.35 173.36 2kvb s SER 652 N -0.25 1.72 0.12 2.83 0.01 -1.26 -0.46 113.70 116.41 2kvb s SER 652 Ca 0.49 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.21 2kvb s SER 652 Cb -0.32 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 2kvb s SER 652 CO 0.38 -0.04 -0.09 0.26 0.41 0.00 0.00 173.24 174.17 2kvb s TRP 653 N -1.15 1.09 -0.24 2.43 0.51 0.51 -4.98 118.94 117.11 2kvb s TRP 653 Ca -0.01 -0.81 -0.14 0.00 -2.12 0.00 0.00 56.10 53.02 2kvb s TRP 653 Cb -0.09 -0.58 -0.04 0.00 -0.81 0.00 0.00 33.47 31.94 2kvb s TRP 653 CO 0.02 -0.02 0.33 1.21 -0.51 0.00 0.00 176.95 177.97 2kvb s ASN 654 N -3.04 6.27 -0.22 2.95 3.84 -1.26 -1.76 114.94 121.72 2kvb s ASN 654 Ca 0.13 0.31 0.15 0.00 0.21 0.00 0.00 52.86 53.66 2kvb s ASN 654 Cb 0.03 -2.19 0.59 0.00 -0.55 0.00 0.00 41.25 39.13 2kvb s ASN 654 CO -0.02 -0.09 1.51 0.18 -2.79 0.00 0.00 177.10 175.90 2kvb n LEU 655 N 4.81 4.41 0.00 3.21 4.77 0.18 -2.23 117.00 132.15 2kvb n LEU 655 Ca -0.10 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.76 2kvb n LEU 655 Cb 0.51 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2kvb n LEU 655 CO 0.37 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2kvb n GLY 656 N -0.40 3.66 3.70 -0.72 0.00 -1.23 -0.94 105.19 109.25 2kvb n GLY 656 Ca 0.26 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2kvb n GLY 656 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kvb s ARG 657 N -3.09 0.94 -0.07 1.61 0.52 -1.25 -0.72 118.95 116.89 2kvb s ARG 657 Ca 0.00 0.74 -0.33 0.00 -0.52 0.00 0.00 55.73 55.62 2kvb s ARG 657 Cb 0.00 -1.78 -0.11 0.00 0.52 0.00 0.00 34.95 33.58 2kvb s ARG 657 CO 0.00 -2.44 1.90 -1.13 0.02 0.00 0.00 175.30 173.65 2kvb n SER 658 N -4.01 3.58 -3.83 0.23 3.41 0.78 -3.56 113.62 110.22 2kvb n SER 658 Ca 0.06 0.96 -0.12 0.00 -0.26 0.00 0.00 58.87 59.51 2kvb n SER 658 Cb 0.56 -1.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.01 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kvb s ASN 659 N 4.14 -0.08 0.00 4.04 2.47 -1.18 -4.89 114.94 119.44 2kvb s ASN 659 Ca 0.92 -0.02 0.01 0.00 0.42 0.00 0.00 52.86 54.20 2kvb s ASN 659 Cb -0.65 0.28 0.02 0.00 -1.45 0.00 0.00 41.25 39.45 2kvb s ASN 659 CO 0.50 -0.34 0.80 0.00 -3.72 0.00 0.00 177.10 174.34 2kvb n ALA 660 N 1.66 2.24 -2.20 1.71 0.00 -1.26 -0.45 120.51 122.21 2kvb n ALA 660 Ca -0.21 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.03 2kvb n ALA 660 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2kvb n ALA 660 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kvb s LYS 661 N -0.59 3.26 0.20 0.00 -0.14 -1.21 -1.47 119.74 119.79 2kvb s LYS 661 Ca 0.02 0.90 -0.19 0.00 -1.36 0.00 0.00 55.97 55.33 2kvb s LYS 661 Cb 0.01 -4.17 -0.08 0.00 -1.68 0.00 0.00 37.83 31.92 2kvb s LYS 661 CO 0.02 -1.96 0.70 -0.51 -0.76 0.00 0.00 175.35 172.83 2kvb s LEU 662 N 6.69 4.37 -0.13 3.17 1.43 -1.26 -3.42 118.68 129.53 2kvb s LEU 662 Ca 0.65 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.16 2kvb s LEU 662 Cb -0.15 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2kvb s LEU 662 CO 0.29 0.07 -0.20 -0.44 0.23 0.00 0.00 176.35 176.29 2kvb s SER 663 N -1.60 3.32 -0.21 2.29 0.01 0.16 0.38 113.70 118.06 2kvb s SER 663 Ca 0.41 -0.53 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 2kvb s SER 663 Cb -0.17 -1.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.58 2kvb s SER 663 CO 0.21 0.12 -0.07 -0.47 0.41 0.00 0.00 173.24 173.44 2kvb s TYR 664 N 0.57 2.92 -0.08 2.43 5.04 0.18 0.46 117.35 128.88 2kvb s TYR 664 Ca -0.12 -1.06 -0.04 0.00 -2.44 0.00 0.00 57.07 53.41 2kvb s TYR 664 Cb -0.16 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.04 2kvb s TYR 664 CO 0.04 -0.59 0.10 -0.47 -1.34 0.00 0.00 175.55 173.28 2kvb s TYR 665 N 1.43 3.42 -0.16 4.97 5.04 -0.46 -0.06 117.35 131.53 2kvb s TYR 665 Ca 0.05 0.37 -0.34 0.00 -2.44 0.00 0.00 57.07 54.71 2kvb s TYR 665 Cb -0.14 -1.85 -0.11 0.00 0.35 0.00 0.00 41.96 40.20 2kvb s TYR 665 CO -0.05 0.63 1.95 -3.47 -1.34 0.00 0.00 175.55 173.27 2kvb n ASP 666 N 1.77 3.16 0.00 4.32 2.03 -0.94 -1.84 116.55 125.05 2kvb n ASP 666 Ca -0.17 0.82 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2kvb n ASP 666 Cb 0.54 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kvb n GLY 667 N 4.85 2.14 3.34 0.27 0.00 -1.26 -5.05 105.19 109.49 2kvb n GLY 667 Ca 0.26 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 2kvb n GLY 667 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kvb s MET 668 N 0.00 1.32 -0.09 1.61 -1.94 -0.77 -4.99 119.30 114.44 2kvb s MET 668 Ca 0.00 -1.61 -0.09 0.00 -1.71 0.00 0.00 55.69 52.28 2kvb s MET 668 Cb 0.00 -0.96 -0.05 0.00 2.01 0.00 0.00 34.83 35.84 2kvb s MET 668 CO 0.00 0.10 0.22 0.42 -0.01 0.00 0.00 175.02 175.75 2kvb s ILE 669 N -3.11 5.37 0.07 2.53 1.01 -1.21 -1.36 121.20 124.50 2kvb s ILE 669 Ca 0.23 0.40 0.07 0.00 0.00 0.00 0.00 60.65 61.35 2kvb s ILE 669 Cb 0.02 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2kvb s ILE 669 CO 0.07 0.60 -0.19 -1.10 0.00 0.00 0.00 174.94 174.33 2kvb s GLN 670 N -1.01 1.11 -0.15 2.79 -0.21 0.17 0.32 119.66 122.69 2kvb s GLN 670 Ca 0.17 -0.99 0.02 0.00 0.02 0.00 0.00 55.36 54.58 2kvb s GLN 670 Cb -0.13 -1.25 0.01 0.00 1.00 0.00 0.00 33.01 32.64 2kvb s GLN 670 CO 0.07 0.30 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.16 2kvb s LEU 671 N -1.53 2.16 -0.17 2.90 0.20 0.43 0.39 118.68 123.07 2kvb s LEU 671 Ca 0.04 -0.59 -0.05 0.00 0.69 0.00 0.00 54.13 54.22 2kvb s LEU 671 Cb -0.09 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 2kvb s LEU 671 CO 0.03 0.07 0.01 -0.89 -0.29 0.00 0.00 176.35 175.28 2kvb s THR 672 N 0.86 4.29 0.48 3.68 2.01 -1.22 -1.42 115.64 124.32 2kvb s THR 672 Ca -0.06 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 61.80 2kvb s THR 672 Cb -0.15 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.47 2kvb s THR 672 CO -0.03 0.48 0.50 -0.31 -0.69 0.00 0.00 174.62 174.58 2kvb s TYR 673 N 0.34 2.22 1.04 4.92 2.02 -0.71 -4.59 117.35 122.59 2kvb s TYR 673 Ca -0.01 -0.60 -0.17 0.00 -0.37 0.00 0.00 57.07 55.92 2kvb s TYR 673 Cb -0.13 -2.16 0.24 0.00 -0.40 0.00 0.00 41.96 39.50 2kvb s TYR 673 CO 0.02 -0.47 1.29 1.03 -1.57 0.00 0.00 175.55 175.85 2kvb s ARG 674 N -4.31 -0.01 0.31 -0.62 1.81 -1.23 -4.71 118.95 110.19 2kvb s ARG 674 Ca 0.49 -0.41 0.07 0.00 -1.72 0.00 0.00 55.73 54.16 2kvb s ARG 674 Cb -0.05 -1.77 0.76 0.00 -0.45 0.00 0.00 34.95 33.44 2kvb s ARG 674 CO 0.30 -2.85 1.78 0.38 -0.68 0.00 0.00 175.30 174.23 2kvb h ASP 675 N -1.95 0.77 0.00 0.23 3.04 -1.90 -3.33 116.42 113.27 2kvb h ASP 675 Ca -0.44 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 2kvb h ASP 675 Cb 1.24 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2kvb h ASP 675 CO 0.33 0.27 0.00 0.61 -2.04 0.00 0.00 179.24 178.41 2kvb n GLY 676 N -1.34 1.48 2.84 7.15 0.00 -1.26 -2.62 105.19 111.44 2kvb n GLY 676 Ca 0.23 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 2kvb n GLY 676 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvb s THR 677 N 0.00 0.37 0.57 2.61 2.01 -0.95 -4.80 115.64 115.46 2kvb s THR 677 Ca 0.00 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 2kvb s THR 677 Cb 0.00 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 2kvb s THR 677 CO 0.00 0.21 1.04 -2.16 -0.69 0.00 0.00 174.62 173.02 2kvb s PRO 678 N 1.20 3.46 0.58 4.92 0.04 -1.26 -1.98 135.00 141.98 2kvb s PRO 678 Ca -0.07 1.16 -0.20 0.00 0.04 0.00 0.00 61.00 61.93 2kvb s PRO 678 Cb -0.14 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2kvb s PRO 678 CO -0.02 -0.69 1.26 0.66 0.04 0.00 0.00 177.00 178.26 2kvb n TYR 679 N -1.91 1.91 -2.52 0.56 4.02 0.87 -4.83 117.16 115.24 2kvb n TYR 679 Ca 0.08 0.43 -0.41 0.00 -0.01 0.00 0.00 57.90 57.99 2kvb n TYR 679 Cb 0.53 -2.29 -0.01 0.00 -0.02 0.00 0.00 39.34 37.55 2kvb n TYR 679 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2kvb s ASN 680 N -1.11 6.59 0.27 7.72 6.03 -1.26 -4.21 114.94 128.97 2kvb s ASN 680 Ca 0.76 -2.17 0.06 0.00 -1.03 0.00 0.00 52.86 50.47 2kvb s ASN 680 Cb -0.41 -2.58 -0.02 0.00 -3.03 0.00 0.00 41.25 35.21 2kvb s ASN 680 CO 0.46 -1.42 0.25 -0.46 -2.03 0.00 0.00 177.10 173.89 2kvb n ASN 681 N 9.10 -0.63 0.00 3.54 0.23 -1.26 -5.05 115.26 121.19 2kvb n ASN 681 Ca 0.46 -2.76 -0.04 0.00 -0.53 0.00 0.00 54.58 51.71 2kvb n ASN 681 Cb 0.47 1.43 0.20 0.00 -2.08 0.00 0.00 39.78 39.79 2kvb n ASN 681 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2kvb h GLU 682 N 0.00 0.52 0.00 -3.83 4.81 -2.03 -3.14 114.58 110.91 2kvb h GLU 682 Ca -0.19 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 58.62 2kvb h GLU 682 Cb 0.97 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 2kvb h GLU 682 CO 0.28 0.71 -1.14 0.87 -0.73 0.00 0.00 179.01 179.00 2kvb h LYS 683 N 0.47 0.01 -5.10 1.92 1.57 -1.97 -3.48 116.57 109.98 2kvb h LYS 683 Ca 0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2kvb h LYS 683 Cb 0.64 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.97 2kvb h LYS 683 CO 0.05 0.92 -0.06 0.54 -0.57 0.00 0.00 179.45 180.32 2kvb n ARG 684 N -3.30 -1.23 -3.09 3.15 3.00 -1.19 -4.99 116.66 109.01 2kvb n ARG 684 Ca -0.03 1.33 -0.41 0.00 -0.01 0.00 0.00 57.85 58.73 2kvb n ARG 684 Cb 0.96 -5.27 -0.06 0.00 0.00 0.00 0.00 32.46 28.09 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2kvb s THR 685 N -3.03 4.96 0.29 0.55 2.01 -1.26 -4.83 115.64 114.32 2kvb s THR 685 Ca 0.03 1.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 2kvb s THR 685 Cb -0.00 -3.96 -0.11 0.00 0.01 0.00 0.00 72.50 68.43 2kvb s THR 685 CO 0.66 -0.01 1.60 -2.16 -0.69 0.00 0.00 174.62 174.02 2kvb s PRO 686 N 2.56 4.12 -0.29 4.92 0.04 -1.26 -0.09 135.00 145.00 2kvb s PRO 686 Ca 0.27 2.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.76 2kvb s PRO 686 Cb -0.15 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2kvb s PRO 686 CO 0.09 -0.64 0.24 1.03 0.04 0.00 0.00 177.00 177.76 2kvb s ARG 687 N -0.38 3.88 0.28 4.56 0.52 -0.84 -4.84 118.95 122.13 2kvb s ARG 687 Ca 0.64 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 55.58 2kvb s ARG 687 Cb -0.48 -3.69 -0.06 0.00 0.52 0.00 0.00 34.95 31.25 2kvb s ARG 687 CO 0.47 -0.25 0.01 0.00 0.02 0.00 0.00 175.30 175.54 2kvb s ALA 688 N 1.82 2.18 -0.07 2.13 0.00 -1.16 -3.51 121.76 123.15 2kvb s ALA 688 Ca 0.08 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 50.16 2kvb s ALA 688 Cb -0.16 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 2kvb s ALA 688 CO 0.11 -0.22 -0.18 0.99 0.00 0.00 0.00 175.76 176.46 2kvb s THR 689 N -3.26 2.70 -0.17 0.00 2.01 -0.12 0.44 115.64 117.24 2kvb s THR 689 Ca 0.32 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2kvb s THR 689 Cb 0.06 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.55 2kvb s THR 689 CO 0.12 0.57 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.31 2kvb s LEU 690 N -0.23 1.87 -0.20 4.42 1.98 0.23 -1.74 118.68 125.01 2kvb s LEU 690 Ca -0.00 -0.71 -0.09 0.00 -2.89 0.00 0.00 54.13 50.44 2kvb s LEU 690 Cb -0.13 -1.07 -0.04 0.00 0.66 0.00 0.00 46.19 45.60 2kvb s LEU 690 CO 0.03 -0.15 0.10 -0.63 -1.89 0.00 0.00 176.35 173.81 2kvb s ILE 691 N 1.52 5.03 -0.27 6.68 1.01 -0.51 -1.56 121.20 133.11 2kvb s ILE 691 Ca 0.01 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 2kvb s ILE 691 Cb -0.15 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2kvb s ILE 691 CO -0.08 0.43 0.06 -0.89 0.00 0.00 0.00 174.94 174.45 2kvb s THR 692 N 0.57 4.01 -0.19 2.92 2.01 0.90 -0.42 115.64 125.44 2kvb s THR 692 Ca 0.05 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 2kvb s THR 692 Cb -0.12 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2kvb s THR 692 CO 0.01 0.22 0.39 -0.36 -0.69 0.00 0.00 174.62 174.19 2kvb s PHE 693 N 1.54 3.39 0.25 4.92 0.40 0.15 -0.09 117.98 128.53 2kvb s PHE 693 Ca 0.04 0.62 0.10 0.00 -0.60 0.00 0.00 56.93 57.09 2kvb s PHE 693 Cb -0.16 -2.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 2kvb s PHE 693 CO 0.02 0.02 -0.07 -0.51 0.70 0.00 0.00 175.22 175.39 2kvb s LEU 694 N 1.19 3.01 -0.15 -0.37 1.43 0.19 -3.31 118.68 120.66 2kvb s LEU 694 Ca 0.19 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 2kvb s LEU 694 Cb -0.15 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2kvb s LEU 694 CO 0.08 0.04 0.72 0.00 0.23 0.00 0.00 176.35 177.41 2kvb s ASP 696 N 1.07 -0.13 0.31 0.00 -1.08 -1.26 -4.95 116.67 110.64 2kvb s ASP 696 Ca 0.34 0.12 0.14 0.00 -0.52 0.00 0.00 52.55 52.63 2kvb s ASP 696 Cb -0.17 0.34 0.48 0.00 -1.46 0.00 0.00 42.92 42.11 2kvb s ASP 696 CO 0.13 -0.29 1.65 0.03 0.52 0.00 0.00 175.17 177.21 2kvb h ARG 697 N 4.69 0.00 -4.86 4.34 3.08 -1.96 -3.36 114.38 116.31 2kvb h ARG 697 Ca -0.29 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.09 2kvb h ARG 697 Cb 1.19 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.89 2kvb h ARG 697 CO 0.39 0.52 -0.77 -0.51 -1.07 0.00 0.00 179.97 178.52 2kvb s ASP 698 N -6.66 4.45 0.00 7.04 1.11 -1.26 -4.72 116.67 116.63 2kvb s ASP 698 Ca -0.01 -1.26 0.00 0.00 0.18 0.00 0.00 52.55 51.46 2kvb s ASP 698 Cb 0.12 -1.60 0.00 0.00 1.07 0.00 0.00 42.92 42.51 2kvb s ASP 698 CO 0.73 -0.19 0.00 0.00 1.18 0.00 0.00 175.17 176.89 2kvb n ALA 699 N 4.52 0.00 0.00 5.23 0.00 -1.26 -4.97 120.51 124.03 2kvb n ALA 699 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kvb n ALA 699 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kvb n ALA 699 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 700 N -1.14 1.32 0.20 0.00 0.00 -1.26 -3.16 105.19 101.14 2kvb n GLY 700 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.25 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kvb h VAL 701 N 0.00 1.21 0.00 1.61 3.04 -1.97 -3.22 116.25 116.92 2kvb h VAL 701 Ca 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 2kvb h VAL 701 Cb 0.00 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2kvb h VAL 701 CO 0.00 0.30 0.00 0.61 -1.01 0.00 0.00 177.57 177.47 2kvb n GLY 702 N -0.62 2.61 3.24 3.17 0.00 -1.19 -4.67 105.19 107.72 2kvb n GLY 702 Ca -0.02 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 2kvb n GLY 702 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kvb s PHE 703 N -1.52 2.12 0.28 1.61 -0.12 -0.69 -4.94 117.98 114.73 2kvb s PHE 703 Ca 0.00 -0.52 -0.10 0.00 -0.05 0.00 0.00 56.93 56.26 2kvb s PHE 703 Cb 0.00 -1.39 -0.07 0.00 -0.63 0.00 0.00 43.02 40.93 2kvb s PHE 703 CO 0.00 -0.12 0.62 -1.25 -0.05 0.00 0.00 175.22 174.42 2kvb s PRO 704 N -0.30 3.81 -0.01 1.99 0.04 -1.26 -1.23 135.00 138.05 2kvb s PRO 704 Ca 0.02 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.43 2kvb s PRO 704 Cb -0.11 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 2kvb s PRO 704 CO 0.01 0.22 -0.06 -2.00 0.04 0.00 0.00 177.00 175.21 2kvb s GLU 705 N -3.12 0.51 -0.02 4.56 2.56 0.23 -4.85 118.70 118.56 2kvb s GLU 705 Ca 0.49 -0.21 -0.23 0.00 0.00 0.00 0.00 54.97 55.01 2kvb s GLU 705 Cb -0.11 -0.49 -0.04 0.00 2.00 0.00 0.00 34.13 35.49 2kvb s GLU 705 CO 0.23 0.12 0.70 -0.47 -0.56 0.00 0.00 175.26 175.29 2kvb s TYR 706 N -0.10 3.64 0.00 5.30 5.04 -1.26 0.41 117.35 130.38 2kvb s TYR 706 Ca 0.02 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 2kvb s TYR 706 Cb -0.03 -2.78 0.00 0.00 0.35 0.00 0.00 41.96 39.50 2kvb s TYR 706 CO -0.00 0.18 0.00 1.04 -1.34 0.00 0.00 175.55 175.43 2kvb n GLN 707 N 3.33 0.00 -3.68 4.97 1.13 -0.97 -4.89 117.38 117.27 2kvb n GLN 707 Ca -0.02 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.93 2kvb n GLN 707 Cb 0.51 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.77 2kvb n GLN 707 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2kvb s GLU 708 N 0.57 0.59 -0.10 -1.09 2.02 -1.25 -5.05 118.70 114.40 2kvb s GLU 708 Ca 0.00 0.89 -0.26 0.00 0.02 0.00 0.00 54.97 55.63 2kvb s GLU 708 Cb 0.00 0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 2kvb s GLU 708 CO 0.00 -0.12 0.81 -2.00 0.02 0.00 0.00 175.26 173.97 2kvb s GLU 709 N 0.96 4.40 0.00 1.61 -6.30 -1.26 -3.98 118.70 114.14 2kvb s GLU 709 Ca -0.05 1.05 0.00 0.00 -2.50 0.00 0.00 54.97 53.46 2kvb s GLU 709 Cb -0.05 -3.50 0.00 0.00 0.00 0.00 0.00 34.13 30.57 2kvb s GLU 709 CO -0.09 -0.12 0.00 -3.47 0.02 0.00 0.00 175.26 171.60 2kvb n ASP 710 N 4.40 0.00 -1.46 -1.70 -0.08 -1.26 -4.88 116.55 111.58 2kvb n ASP 710 Ca 0.03 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.33 2kvb n ASP 710 Cb 0.50 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.21 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2kvb n ASN 711 N -0.88 4.06 0.00 1.67 0.23 -1.26 -4.85 115.26 114.23 2kvb n ASN 711 Ca 0.00 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.39 2kvb n ASN 711 Cb 0.00 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2kvb n SER 712 N 0.31 0.00 -4.04 0.53 3.41 -1.26 -4.96 113.62 107.62 2kvb n SER 712 Ca 0.20 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.54 2kvb n SER 712 Cb 0.91 -0.70 -0.17 0.00 -0.26 0.00 0.00 64.21 64.00 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kvb s THR 713 N -3.07 1.33 -0.14 6.66 2.01 -1.26 -2.98 115.64 118.18 2kvb s THR 713 Ca 0.00 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2kvb s THR 713 Cb 0.00 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 2kvb s THR 713 CO 0.00 0.40 1.35 -0.31 -0.69 0.00 0.00 174.62 175.37 2kvb s TYR 714 N 0.87 2.66 -0.21 4.92 1.51 0.17 -4.30 117.35 122.97 2kvb s TYR 714 Ca -0.10 0.83 -0.10 0.00 -1.01 0.00 0.00 57.07 56.70 2kvb s TYR 714 Cb -0.15 -3.60 -0.05 0.00 -0.11 0.00 0.00 41.96 38.05 2kvb s TYR 714 CO 0.01 -2.16 0.13 -0.80 -1.11 0.00 0.00 175.55 171.62 2kvb s ASN 715 N 2.28 6.05 0.13 2.29 -0.87 -1.24 0.76 114.94 124.33 2kvb s ASN 715 Ca 0.59 0.15 0.08 0.00 -1.57 0.00 0.00 52.86 52.11 2kvb s ASN 715 Cb -0.24 -2.07 -0.04 0.00 -0.02 0.00 0.00 41.25 38.88 2kvb s ASN 715 CO 0.18 0.13 -0.12 -0.36 -2.57 0.00 0.00 177.10 174.35 2kvb s PHE 716 N 0.65 2.64 -0.28 2.20 0.40 -0.60 -2.29 117.98 120.70 2kvb s PHE 716 Ca 0.07 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 2kvb s PHE 716 Cb -0.12 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 2kvb s PHE 716 CO 0.01 0.44 0.12 0.50 0.70 0.00 0.00 175.22 176.98 2kvb s ARG 717 N -2.36 3.54 -0.20 0.44 3.52 0.17 -0.07 118.95 123.99 2kvb s ARG 717 Ca 0.21 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 2kvb s ARG 717 Cb -0.10 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2kvb s ARG 717 CO 0.13 -0.29 -0.15 -0.46 -0.81 0.00 0.00 175.30 173.72 2kvb s TRP 718 N 1.63 2.90 -0.40 5.12 -0.11 0.87 0.74 118.94 129.69 2kvb s TRP 718 Ca 0.06 -1.66 -0.18 0.00 1.22 0.00 0.00 56.10 55.53 2kvb s TRP 718 Cb -0.16 -1.96 0.01 0.00 -1.50 0.00 0.00 33.47 29.87 2kvb s TRP 718 CO 0.05 -0.78 0.52 0.71 -4.62 0.00 0.00 176.95 172.83 2kvb s TYR 719 N 1.29 3.14 -0.01 5.86 2.02 -0.36 0.53 117.35 129.81 2kvb s TYR 719 Ca 0.02 -0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 2kvb s TYR 719 Cb -0.15 -3.03 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 2kvb s TYR 719 CO -0.10 -0.69 0.03 -0.08 -1.57 0.00 0.00 175.55 173.14 2kvb s THR 720 N 2.42 0.01 0.20 -0.71 -1.32 -0.88 -1.70 115.64 113.67 2kvb s THR 720 Ca 0.17 -0.11 0.23 0.00 -1.21 0.00 0.00 61.69 60.77 2kvb s THR 720 Cb -0.16 -0.09 0.22 0.00 -1.51 0.00 0.00 72.50 70.97 2kvb s THR 720 CO 0.15 -0.06 1.86 -1.28 -2.21 0.00 0.00 174.62 173.07 2kvb h SER 721 N 5.89 0.00 1.06 8.08 0.87 -1.70 -3.04 113.55 124.71 2kvb h SER 721 Ca -0.25 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2kvb h SER 721 Cb 1.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kvb h SER 721 CO 0.48 0.24 -0.01 1.88 -0.53 0.00 0.00 176.83 178.89 2kvb h TYR 722 N 0.00 0.00 -0.30 2.24 -1.99 -1.87 -2.26 116.97 112.78 2kvb h TYR 722 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2kvb h TYR 722 Cb 0.69 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.42 2kvb h TYR 722 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.17 2kvb n ALA 723 N -2.09 2.47 -3.55 3.88 0.00 -1.15 -4.80 120.51 115.26 2kvb n ALA 723 Ca 0.01 -0.66 -0.28 0.00 0.00 0.00 0.00 53.44 52.52 2kvb n ALA 723 Cb 0.32 -1.01 -0.17 0.00 0.00 0.00 0.00 19.45 18.59 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50