#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb n ALA 579 N 0.00 1.94 -3.71 4.31 0.00 -1.26 -5.04 120.51 116.74 2kvb n ALA 579 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 2kvb n ALA 579 Cb 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 2kvb n ALA 579 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kvb s GLU 580 N -2.06 0.22 -0.44 0.00 -1.05 -1.26 -5.09 118.70 109.02 2kvb s GLU 580 Ca -0.02 0.59 0.03 0.00 -0.15 0.00 0.00 54.97 55.43 2kvb s GLU 580 Cb 0.01 -0.10 0.12 0.00 -0.44 0.00 0.00 34.13 33.72 2kvb s GLU 580 CO 0.10 -0.18 0.19 0.00 0.95 0.00 0.00 175.26 176.32 2kvb s ALA 581 N 1.44 2.75 -0.10 -0.84 0.00 -1.26 -5.07 121.76 118.69 2kvb s ALA 581 Ca -0.08 -2.79 -0.01 0.00 0.00 0.00 0.00 51.96 49.08 2kvb s ALA 581 Cb -0.10 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.04 2kvb s ALA 581 CO -0.09 -1.93 -0.04 -1.21 0.00 0.00 0.00 175.76 172.49 2kvb s GLU 582 N 0.32 1.16 0.36 0.00 2.02 -1.26 -5.10 118.70 116.20 2kvb s GLU 582 Ca 0.15 -0.11 0.09 0.00 0.02 0.00 0.00 54.97 55.12 2kvb s GLU 582 Cb -0.23 -1.35 -0.07 0.00 0.10 0.00 0.00 34.13 32.58 2kvb s GLU 582 CO -0.04 -0.28 -0.05 -0.06 0.02 0.00 0.00 175.26 174.84 2kvb s PHE 583 N 1.81 2.45 0.28 1.61 0.40 -1.26 -5.03 117.98 118.24 2kvb s PHE 583 Ca 0.05 -0.52 -0.04 0.00 -0.60 0.00 0.00 56.93 55.82 2kvb s PHE 583 Cb -0.12 -1.49 0.37 0.00 0.51 0.00 0.00 43.02 42.29 2kvb s PHE 583 CO -0.07 0.53 1.94 1.25 0.70 0.00 0.00 175.22 179.57 2kvb h LEU 584 N 1.93 1.01 -7.53 -0.37 5.85 -2.01 -3.31 115.31 110.87 2kvb h LEU 584 Ca -0.42 -0.04 -0.64 0.00 0.84 0.00 0.00 57.88 57.61 2kvb h LEU 584 Cb 1.25 -0.25 -0.40 0.00 0.37 0.00 0.00 40.66 41.62 2kvb h LEU 584 CO 0.72 0.76 -0.71 -0.44 -0.34 0.00 0.00 178.44 178.43 2kvb s SER 585 N -6.27 4.54 -0.32 1.25 0.01 -1.26 -5.04 113.70 106.61 2kvb s SER 585 Ca -0.12 -2.29 0.03 0.00 1.31 0.00 0.00 55.95 54.88 2kvb s SER 585 Cb 0.18 -1.51 0.08 0.00 0.21 0.00 0.00 66.02 64.98 2kvb s SER 585 CO 0.80 -0.35 0.00 -0.60 0.41 0.00 0.00 173.24 173.51 2kvb s ARG 586 N 0.72 1.84 -0.32 12.44 3.52 -1.25 -4.34 118.95 131.56 2kvb s ARG 586 Ca 0.12 -1.65 -0.11 0.00 -0.13 0.00 0.00 55.73 53.96 2kvb s ARG 586 Cb -0.20 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 2kvb s ARG 586 CO -0.08 -0.80 0.18 0.99 -0.81 0.00 0.00 175.30 174.78 2kvb s THR 587 N 1.01 4.82 -0.16 4.11 2.01 -0.58 -4.95 115.64 121.91 2kvb s THR 587 Ca 0.03 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2kvb s THR 587 Cb -0.20 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2kvb s THR 587 CO -0.06 0.02 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.15 2kvb s GLU 588 N 1.65 3.63 0.00 4.92 2.12 -1.26 0.02 118.70 129.78 2kvb s GLU 588 Ca 0.05 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2kvb s GLU 588 Cb -0.17 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2kvb s GLU 588 CO 0.08 0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.39 2kvb n GLY 589 N 3.70 0.44 1.75 -1.50 0.00 0.86 -4.93 105.19 105.52 2kvb n GLY 589 Ca -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2kvb n GLY 589 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kvb n ASP 590 N 0.00 0.05 -3.44 1.61 2.03 -1.26 -4.58 116.55 110.97 2kvb n ASP 590 Ca 0.00 0.16 -0.10 0.00 0.52 0.00 0.00 54.79 55.38 2kvb n ASP 590 Cb 0.00 0.09 0.03 0.00 -0.72 0.00 0.00 41.12 40.53 2kvb n ASP 590 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kvb n ASN 591 N -2.97 1.06 -1.43 1.67 2.85 -1.26 -4.08 115.26 111.10 2kvb n ASN 591 Ca 0.00 -1.76 0.00 0.00 -0.11 0.00 0.00 54.58 52.71 2kvb n ASN 591 Cb 0.08 -0.20 0.00 0.00 1.24 0.00 0.00 39.78 40.89 2kvb n ASN 591 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kvb s THR 593 N 0.17 1.24 -0.04 0.00 -4.23 -1.26 -0.27 115.64 111.25 2kvb s THR 593 Ca 0.00 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 2kvb s THR 593 Cb 0.00 -1.08 0.01 0.00 1.34 0.00 0.00 72.50 72.77 2kvb s THR 593 CO 0.00 0.18 -0.10 0.54 -0.54 0.00 0.00 174.62 174.70 2kvb s VAL 594 N -0.63 0.90 -0.14 2.29 0.11 0.71 -4.17 120.40 119.46 2kvb s VAL 594 Ca 0.04 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 2kvb s VAL 594 Cb -0.07 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2kvb s VAL 594 CO 0.01 0.29 -0.17 0.12 -3.33 0.00 0.00 175.10 172.01 2kvb s PHE 595 N 0.42 2.37 -0.22 1.54 5.36 -1.26 0.02 117.98 126.21 2kvb s PHE 595 Ca -0.08 -1.28 -0.07 0.00 -0.96 0.00 0.00 56.93 54.55 2kvb s PHE 595 Cb -0.12 -1.68 -0.03 0.00 -0.34 0.00 0.00 43.02 40.85 2kvb s PHE 595 CO 0.01 -0.64 0.06 0.34 -1.46 0.00 0.00 175.22 173.53 2kvb s ASP 596 N 1.18 5.26 0.40 6.13 -1.08 -1.07 -4.93 116.67 122.56 2kvb s ASP 596 Ca -0.00 -0.11 0.19 0.00 -0.52 0.00 0.00 52.55 52.11 2kvb s ASP 596 Cb -0.14 -1.93 0.84 0.00 -1.46 0.00 0.00 42.92 40.23 2kvb s ASP 596 CO -0.07 0.04 1.81 -1.28 0.52 0.00 0.00 175.17 176.20 2kvb h SER 597 N 7.66 0.00 0.18 -0.34 0.87 -1.97 0.14 113.55 120.09 2kvb h SER 597 Ca -0.37 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 59.94 2kvb h SER 597 Cb 1.18 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2kvb h SER 597 CO 0.61 0.32 -1.15 1.56 -0.53 0.00 0.00 176.83 177.64 2kvb h GLN 598 N 0.00 0.38 0.00 2.24 7.50 -1.97 -3.29 115.11 119.97 2kvb h GLN 598 Ca -0.00 -0.66 -0.05 0.00 0.50 0.00 0.00 58.65 58.44 2kvb h GLN 598 Cb 0.75 0.24 -0.01 0.00 0.05 0.00 0.00 27.48 28.51 2kvb h GLN 598 CO 0.04 1.31 -0.23 0.00 -1.50 0.00 0.00 178.83 178.45 2kvb h ALA 599 N 0.09 0.87 -1.31 3.87 0.00 -1.96 -3.47 119.26 117.34 2kvb h ALA 599 Ca -0.21 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 2kvb h ALA 599 Cb 1.86 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.53 2kvb h ALA 599 CO 0.19 0.29 -0.33 0.41 0.00 0.00 0.00 179.25 179.81 2kvb n GLY 600 N 0.97 0.85 3.04 0.00 0.00 0.48 -4.99 105.19 105.54 2kvb n GLY 600 Ca 0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.65 0.87 -0.15 1.61 0.08 -1.22 -5.01 117.98 111.50 2kvb s PHE 601 Ca 0.00 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.82 2kvb s PHE 601 Cb 0.00 -0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 2kvb s PHE 601 CO 0.00 -0.01 -0.01 -1.54 -0.10 0.00 0.00 175.22 173.56 2kvb s SER 602 N -0.33 5.04 -0.07 1.36 1.04 -1.26 -2.61 113.70 116.87 2kvb s SER 602 Ca 0.03 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.46 2kvb s SER 602 Cb -0.04 -1.77 -0.00 0.00 0.10 0.00 0.00 66.02 64.31 2kvb s SER 602 CO -0.00 0.20 -0.20 -0.36 0.98 0.00 0.00 173.24 173.86 2kvb s PHE 603 N 0.17 2.09 -0.29 5.02 0.40 0.10 -4.98 117.98 120.50 2kvb s PHE 603 Ca -0.00 -0.73 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 2kvb s PHE 603 Cb -0.13 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.00 2kvb s PHE 603 CO 0.02 -0.28 0.06 -0.51 0.70 0.00 0.00 175.22 175.22 2kvb s ASP 604 N 0.21 5.05 -0.09 1.36 1.01 -1.26 -0.21 116.67 122.74 2kvb s ASP 604 Ca -0.11 -0.78 0.15 0.00 0.71 0.00 0.00 52.55 52.53 2kvb s ASP 604 Cb -0.15 -1.85 0.51 0.00 1.01 0.00 0.00 42.92 42.44 2kvb s ASP 604 CO 0.05 -0.20 1.42 0.18 0.21 0.00 0.00 175.17 176.84 2kvb n LEU 605 N 4.83 3.79 -0.29 1.23 4.77 0.63 -4.61 117.00 127.35 2kvb n LEU 605 Ca -0.15 -2.44 -0.05 0.00 -0.03 0.00 0.00 56.01 53.34 2kvb n LEU 605 Cb 0.47 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2kvb n LEU 605 CO 0.31 0.74 1.11 0.71 -1.33 0.00 0.00 177.39 178.93 2kvb h THR 606 N 2.62 1.25 0.00 -5.08 1.35 -1.89 -2.39 112.91 108.77 2kvb h THR 606 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2kvb h THR 606 Cb 1.17 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2kvb h THR 606 CO 0.14 0.29 0.00 1.55 -0.25 0.00 0.00 175.52 177.25 2kvb h PRO 607 N 1.13 0.00 0.00 4.72 0.13 -1.93 -2.50 132.00 133.54 2kvb h PRO 607 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 2kvb h PRO 607 Cb 0.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2kvb h PRO 607 CO -0.04 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 177.66 2kvb h LEU 608 N 0.00 0.00 -9.73 1.56 -0.00 -1.76 -3.44 115.31 101.93 2kvb h LEU 608 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 2kvb h LEU 608 Cb 0.25 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 40.95 2kvb h LEU 608 CO 0.00 0.00 0.62 -0.89 -0.00 0.00 0.00 178.44 178.17 2kvb s THR 609 N -3.35 3.17 0.03 0.22 2.01 -0.95 -4.47 115.64 112.31 2kvb s THR 609 Ca 0.05 1.03 0.03 0.00 0.31 0.00 0.00 61.69 63.12 2kvb s THR 609 Cb 0.09 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2kvb s THR 609 CO 0.54 0.18 -0.10 -0.54 -0.69 0.00 0.00 174.62 174.01 2kvb s LYS 610 N -0.62 0.71 0.09 4.92 1.02 -1.26 -4.99 119.74 119.61 2kvb s LYS 610 Ca 0.53 -0.62 -0.15 0.00 0.02 0.00 0.00 55.97 55.75 2kvb s LYS 610 Cb -0.36 -0.64 -0.11 0.00 -0.52 0.00 0.00 37.83 36.20 2kvb s LYS 610 CO 0.41 0.15 1.37 -0.22 -0.92 0.00 0.00 175.35 176.15 2kvb h LYS 611 N 5.07 0.67 0.00 1.68 1.63 -1.95 -3.08 116.57 120.59 2kvb h LYS 611 Ca -0.35 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.04 2kvb h LYS 611 Cb 1.19 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kvb h LYS 611 CO 0.44 1.02 0.00 0.22 -3.45 0.00 0.00 179.45 177.69 2kvb h ASP 612 N 0.38 0.00 -3.34 4.20 3.58 -1.95 -3.34 116.42 115.95 2kvb h ASP 612 Ca 0.02 0.00 0.28 0.00 0.42 0.00 0.00 57.03 57.75 2kvb h ASP 612 Cb 0.96 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.94 2kvb h ASP 612 CO 0.09 0.00 -0.37 0.00 -2.88 0.00 0.00 179.24 176.08 2kvb n ALA 613 N -1.85 -2.62 -2.96 -0.78 0.00 -1.16 -4.84 120.51 106.30 2kvb n ALA 613 Ca 0.03 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.46 2kvb n ALA 613 Cb 0.34 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.79 2.93 -0.16 0.00 1.51 0.09 -4.94 117.35 114.98 2kvb s TYR 614 Ca 0.00 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 2kvb s TYR 614 Cb 0.00 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 2kvb s TYR 614 CO 0.00 -0.07 -0.03 0.21 -1.11 0.00 0.00 175.55 174.55 2kvb s LYS 615 N 0.24 3.65 -0.07 -0.62 2.20 -1.26 -0.93 119.74 122.96 2kvb s LYS 615 Ca -0.05 -0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2kvb s LYS 615 Cb -0.15 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 2kvb s LYS 615 CO 0.04 0.20 0.01 0.08 -0.36 0.00 0.00 175.35 175.32 2kvb s VAL 616 N 0.49 4.36 0.02 4.02 1.01 0.13 -4.92 120.40 125.51 2kvb s VAL 616 Ca -0.03 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2kvb s VAL 616 Cb -0.14 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2kvb s VAL 616 CO 0.03 0.56 -0.21 -1.61 0.00 0.00 0.00 175.10 173.87 2kvb s GLU 617 N -1.03 1.51 0.00 2.72 2.02 -1.26 0.22 118.70 122.89 2kvb s GLU 617 Ca 0.15 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2kvb s GLU 617 Cb -0.11 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.55 2kvb s GLU 617 CO 0.04 0.41 0.00 0.25 0.02 0.00 0.00 175.26 175.98 2kvb n THR 618 N 2.10 0.00 -0.02 3.63 -2.24 0.34 -4.98 114.28 113.11 2kvb n THR 618 Ca -0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2kvb n THR 618 Cb 0.53 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2kvb n THR 618 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kvb h ASP 619 N 0.00 0.15 0.00 3.42 3.32 -2.04 -3.38 116.42 117.90 2kvb h ASP 619 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2kvb h ASP 619 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2kvb h ASP 619 CO 0.00 0.30 0.00 2.29 -1.72 0.00 0.00 179.24 180.11 2kvb n LYS 620 N -4.90 1.06 -4.33 3.56 2.85 -1.26 -4.96 118.16 110.18 2kvb n LYS 620 Ca -0.06 -0.24 -0.22 0.00 -1.05 0.00 0.00 58.31 56.75 2kvb n LYS 620 Cb 0.13 -0.69 -0.11 0.00 -0.65 0.00 0.00 35.03 33.71 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2kvb s TYR 621 N -0.22 1.82 0.02 5.58 1.51 -1.26 -0.25 117.35 124.56 2kvb s TYR 621 Ca 0.00 -0.47 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2kvb s TYR 621 Cb 0.00 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 2kvb s TYR 621 CO 0.00 0.32 -0.08 -1.83 -1.11 0.00 0.00 175.55 172.86 2kvb s GLU 622 N -2.74 0.54 -0.13 -0.62 -1.05 -0.59 -0.50 118.70 113.61 2kvb s GLU 622 Ca 0.15 -0.53 0.02 0.00 -0.15 0.00 0.00 54.97 54.46 2kvb s GLU 622 Cb -0.06 -0.42 0.01 0.00 -0.44 0.00 0.00 34.13 33.22 2kvb s GLU 622 CO 0.06 0.10 -0.21 -0.06 0.95 0.00 0.00 175.26 176.11 2kvb s PHE 623 N -0.81 2.50 -0.21 4.83 0.40 0.13 -1.54 117.98 123.29 2kvb s PHE 623 Ca -0.04 -1.23 -0.05 0.00 -0.60 0.00 0.00 56.93 55.01 2kvb s PHE 623 Cb -0.07 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 2kvb s PHE 623 CO 0.00 -0.56 0.01 -1.01 0.70 0.00 0.00 175.22 174.36 2kvb s HIS 624 N 0.80 3.05 0.08 0.36 3.76 0.61 0.21 115.29 124.16 2kvb s HIS 624 Ca -0.08 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 2kvb s HIS 624 Cb -0.16 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2kvb s HIS 624 CO -0.01 -0.25 -0.07 0.96 -0.85 0.00 0.00 174.74 174.52 2kvb s ILE 625 N 1.07 0.67 0.10 0.60 -4.36 -0.10 -0.15 121.20 119.03 2kvb s ILE 625 Ca 0.02 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 58.87 2kvb s ILE 625 Cb -0.14 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.26 2kvb s ILE 625 CO 0.02 -0.66 -0.14 0.21 0.24 0.00 0.00 174.94 174.61 2kvb s ASN 626 N -2.46 1.80 -0.66 4.36 2.47 -0.98 -0.74 114.94 118.74 2kvb s ASN 626 Ca 0.03 -0.74 -0.26 0.00 0.42 0.00 0.00 52.86 52.31 2kvb s ASN 626 Cb -0.01 -0.05 0.04 0.00 -1.45 0.00 0.00 41.25 39.78 2kvb s ASN 626 CO -0.02 -0.14 1.15 -0.69 -3.72 0.00 0.00 177.10 173.68 2kvb s VAL 627 N -1.88 3.99 0.29 -5.21 1.01 -1.26 -4.79 120.40 112.55 2kvb s VAL 627 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2kvb s VAL 627 Cb -0.06 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.54 2kvb s VAL 627 CO 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 175.10 173.56 2kvb n GLY 629 N -1.74 -0.37 3.95 0.00 0.00 0.11 -4.85 105.19 102.29 2kvb n GLY 629 Ca 0.00 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 3.41 -0.17 1.61 0.05 -1.26 -2.86 135.00 135.78 2kvb s PRO 630 Ca 0.00 -0.51 -0.06 0.00 0.05 0.00 0.00 61.00 60.47 2kvb s PRO 630 Cb 0.00 -2.73 -0.04 0.00 0.05 0.00 0.00 34.50 31.78 2kvb s PRO 630 CO 0.00 0.19 0.04 0.54 0.05 0.00 0.00 177.00 177.81 2kvb s VAL 631 N -2.23 4.58 -1.16 -0.36 0.11 0.22 -4.83 120.40 116.72 2kvb s VAL 631 Ca 0.39 -0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.21 2kvb s VAL 631 Cb -0.09 -3.04 0.21 0.00 -1.53 0.00 0.00 36.38 31.92 2kvb s VAL 631 CO 0.34 0.48 1.30 -0.55 -3.33 0.00 0.00 175.10 173.34 2kvb s SER 632 N 0.23 7.15 -0.08 3.54 0.15 -1.26 -4.73 113.70 118.70 2kvb s SER 632 Ca 0.03 -3.18 0.04 0.00 0.70 0.00 0.00 55.95 53.53 2kvb s SER 632 Cb -0.13 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2kvb s SER 632 CO 0.01 -0.59 -0.19 -0.69 1.20 0.00 0.00 173.24 172.98 2kvb s VAL 633 N 0.58 1.68 -1.02 4.45 1.01 -1.26 -4.78 120.40 121.07 2kvb s VAL 633 Ca 0.38 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2kvb s VAL 633 Cb -0.06 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2kvb s VAL 633 CO -0.03 0.48 0.48 0.61 0.00 0.00 0.00 175.10 176.63 2kvb n GLY 634 N 3.49 1.36 0.03 4.51 0.00 -1.26 -2.97 105.19 110.35 2kvb n GLY 634 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 0.02 2.43 -2.21 4.61 0.00 -1.26 -4.98 120.51 119.11 2kvb n ALA 635 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 2kvb n ALA 635 Cb 0.23 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb n PRO 637 N -0.13 1.57 -0.21 0.00 -0.04 -1.26 -4.76 135.00 130.17 2kvb n PRO 637 Ca -0.11 0.55 0.31 0.00 -0.04 0.00 0.00 63.50 64.21 2kvb n PRO 637 Cb 0.61 -1.99 0.71 0.00 -0.04 0.00 0.00 33.50 32.79 2kvb n PRO 637 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2kvb h PRO 638 N 2.13 0.00 -0.04 0.54 0.11 -1.87 0.62 132.00 133.48 2kvb h PRO 638 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2kvb h PRO 638 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2kvb h PRO 638 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2kvb n ASP 639 N -3.93 0.33 -4.83 -2.05 5.75 -1.26 -4.45 116.55 106.11 2kvb n ASP 639 Ca 0.21 -1.65 -0.36 0.00 -0.01 0.00 0.00 54.79 52.98 2kvb n ASP 639 Cb 1.14 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 41.15 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kvb s SER 640 N -1.39 6.94 -0.00 -1.12 0.15 0.21 0.59 113.70 119.08 2kvb s SER 640 Ca 0.21 1.21 0.16 0.00 0.70 0.00 0.00 55.95 58.22 2kvb s SER 640 Cb 0.10 -2.34 -0.18 0.00 -1.71 0.00 0.00 66.02 61.89 2kvb s SER 640 CO 0.16 0.13 0.65 0.61 1.20 0.00 0.00 173.24 175.99 2kvb n GLY 641 N 1.00 -0.51 3.34 9.45 0.00 0.56 0.68 105.19 119.71 2kvb n GLY 641 Ca -0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.54 -1.26 -0.04 4.61 0.00 -1.13 -2.32 121.76 119.08 2kvb s ALA 642 Ca 0.05 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2kvb s ALA 642 Cb 0.12 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 22.04 2kvb s ALA 642 CO 0.65 -0.54 -0.01 0.00 0.00 0.00 0.00 175.76 175.86 2kvb s GLN 644 N 1.15 2.55 -0.03 0.00 -2.07 -0.89 -0.28 119.66 120.08 2kvb s GLN 644 Ca -0.08 -0.75 0.01 0.00 -1.82 0.00 0.00 55.36 52.72 2kvb s GLN 644 Cb -0.14 -2.52 0.01 0.00 -1.09 0.00 0.00 33.01 29.28 2kvb s GLN 644 CO -0.02 0.59 -0.05 0.54 -1.32 0.00 0.00 175.29 175.02 2kvb s VAL 645 N -1.09 0.56 -0.27 3.63 0.11 -0.59 -0.76 120.40 122.00 2kvb s VAL 645 Ca 0.19 -0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 2kvb s VAL 645 Cb -0.11 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2kvb s VAL 645 CO 0.11 0.21 1.11 -0.55 -3.33 0.00 0.00 175.10 172.64 2kvb s SER 646 N 0.61 6.97 0.53 3.54 0.15 0.11 -1.54 113.70 124.07 2kvb s SER 646 Ca -0.08 1.26 0.32 0.00 0.70 0.00 0.00 55.95 58.15 2kvb s SER 646 Cb -0.12 -2.54 1.24 0.00 -1.71 0.00 0.00 66.02 62.89 2kvb s SER 646 CO 0.00 -0.81 1.94 0.08 1.20 0.00 0.00 173.24 175.65 2kvb h ARG 647 N 7.99 0.00 0.06 5.44 0.11 -0.93 0.29 114.38 127.35 2kvb h ARG 647 Ca -0.21 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.74 2kvb h ARG 647 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2kvb h ARG 647 CO 1.01 0.00 -0.60 0.77 0.10 0.00 0.00 179.97 181.24 2kvb h SER 648 N 0.00 0.21 0.58 0.08 0.02 -1.87 -3.40 113.55 109.18 2kvb h SER 648 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2kvb h SER 648 Cb 0.57 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kvb h SER 648 CO 0.00 1.27 -1.37 0.47 -1.14 0.00 0.00 176.83 176.06 2kvb n ASP 649 N -4.33 0.52 -0.86 3.07 9.92 -1.12 -4.94 116.55 118.81 2kvb n ASP 649 Ca -0.16 0.16 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 2kvb n ASP 649 Cb 0.68 1.05 -0.05 0.00 -0.64 0.00 0.00 41.12 42.16 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kvb n ARG 650 N -2.46 -0.88 -3.49 -1.24 3.00 0.10 -5.00 116.66 106.69 2kvb n ARG 650 Ca -0.01 0.88 -0.38 0.00 -0.01 0.00 0.00 57.85 58.32 2kvb n ARG 650 Cb 0.55 -4.88 -0.06 0.00 0.00 0.00 0.00 32.46 28.06 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 -2.87 3.97 0.00 5.56 -0.14 -1.24 -4.88 119.74 120.14 2kvb s LYS 651 Ca 0.00 0.39 0.03 0.00 -1.36 0.00 0.00 55.97 55.03 2kvb s LYS 651 Cb 0.00 -3.25 -0.01 0.00 -1.68 0.00 0.00 37.83 32.89 2kvb s LYS 651 CO 0.00 0.61 -0.09 -1.54 -0.76 0.00 0.00 175.35 173.57 2kvb s SER 652 N -0.81 1.09 0.17 2.83 1.04 -1.26 0.07 113.70 116.82 2kvb s SER 652 Ca 0.23 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.50 2kvb s SER 652 Cb -0.16 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 2kvb s SER 652 CO 0.12 0.07 -0.14 0.26 0.98 0.00 0.00 173.24 174.53 2kvb s TRP 653 N -0.41 1.59 -0.28 5.02 0.51 0.06 -4.96 118.94 120.48 2kvb s TRP 653 Ca 0.02 -0.58 -0.15 0.00 -2.12 0.00 0.00 56.10 53.26 2kvb s TRP 653 Cb -0.05 -0.77 -0.03 0.00 -0.81 0.00 0.00 33.47 31.81 2kvb s TRP 653 CO -0.00 0.26 0.39 1.21 -0.51 0.00 0.00 176.95 178.30 2kvb s ASN 654 N -3.00 6.27 0.00 2.95 3.84 -1.26 -2.08 114.94 121.65 2kvb s ASN 654 Ca 0.17 0.27 0.23 0.00 0.21 0.00 0.00 52.86 53.74 2kvb s ASN 654 Cb -0.02 -2.22 0.46 0.00 -0.55 0.00 0.00 41.25 38.92 2kvb s ASN 654 CO 0.05 -0.21 1.42 0.18 -2.79 0.00 0.00 177.10 175.75 2kvb n LEU 655 N 5.37 3.37 0.00 3.21 4.77 0.49 -2.07 117.00 132.14 2kvb n LEU 655 Ca -0.08 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 2kvb n LEU 655 Cb 0.50 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2kvb n LEU 655 CO 0.38 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2kvb n GLY 656 N 1.49 3.64 3.87 -0.72 0.00 -1.23 -2.38 105.19 109.86 2kvb n GLY 656 Ca 0.19 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2kvb n GLY 656 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kvb s ARG 657 N -0.95 2.07 0.19 1.61 1.70 -1.22 -0.32 118.95 122.03 2kvb s ARG 657 Ca 0.00 0.25 -0.33 0.00 -0.47 0.00 0.00 55.73 55.18 2kvb s ARG 657 Cb 0.00 -1.95 -0.13 0.00 -0.57 0.00 0.00 34.95 32.30 2kvb s ARG 657 CO 0.00 -1.55 1.55 -1.13 -1.08 0.00 0.00 175.30 173.09 2kvb n SER 658 N -3.31 3.14 -3.68 -2.89 3.41 0.20 -3.77 113.62 106.71 2kvb n SER 658 Ca 0.07 1.10 -0.13 0.00 -0.26 0.00 0.00 58.87 59.65 2kvb n SER 658 Cb 0.60 -1.45 -0.08 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 0.76 -0.60 0.00 4.04 2.47 -1.13 -4.88 114.94 115.59 2kvb s ASN 659 Ca 0.75 1.15 0.01 0.00 0.42 0.00 0.00 52.86 55.19 2kvb s ASN 659 Cb -0.65 1.16 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 2kvb s ASN 659 CO 0.41 -0.20 0.48 0.00 -3.72 0.00 0.00 177.10 174.07 2kvb n ALA 660 N 2.85 2.46 -2.33 1.71 0.00 -1.26 0.04 120.51 123.98 2kvb n ALA 660 Ca -0.14 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 2kvb n ALA 660 Cb 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.16 3.29 0.28 0.00 -0.14 -1.26 -3.56 119.74 118.20 2kvb s LYS 661 Ca 0.01 0.60 -0.21 0.00 -1.36 0.00 0.00 55.97 55.01 2kvb s LYS 661 Cb 0.01 -4.13 -0.09 0.00 -1.68 0.00 0.00 37.83 31.93 2kvb s LYS 661 CO 0.01 -1.94 0.81 -0.51 -0.76 0.00 0.00 175.35 172.96 2kvb s LEU 662 N 6.25 4.29 -0.12 3.17 1.43 -1.26 -4.53 118.68 127.92 2kvb s LEU 662 Ca 0.57 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 55.24 2kvb s LEU 662 Cb -0.12 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.26 2kvb s LEU 662 CO 0.26 -0.05 -0.17 -0.44 0.23 0.00 0.00 176.35 176.19 2kvb s SER 663 N -1.73 3.69 -0.13 2.29 0.01 -0.57 -0.10 113.70 117.17 2kvb s SER 663 Ca 0.47 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 57.33 2kvb s SER 663 Cb -0.16 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 2kvb s SER 663 CO 0.21 0.17 -0.13 -0.47 0.41 0.00 0.00 173.24 173.42 2kvb s TYR 664 N 0.33 2.81 -0.01 2.43 6.14 0.10 -0.67 117.35 128.48 2kvb s TYR 664 Ca -0.14 -0.68 0.06 0.00 0.64 0.00 0.00 57.07 56.96 2kvb s TYR 664 Cb -0.17 -1.85 -0.02 0.00 0.42 0.00 0.00 41.96 40.35 2kvb s TYR 664 CO 0.07 -0.23 -0.19 0.71 0.64 0.00 0.00 175.55 176.54 2kvb s TYR 665 N 0.39 1.71 -0.39 4.97 2.02 -1.13 -1.52 117.35 123.41 2kvb s TYR 665 Ca -0.11 -0.33 -0.43 0.00 -0.37 0.00 0.00 57.07 55.84 2kvb s TYR 665 Cb -0.16 -1.10 -0.17 0.00 -0.40 0.00 0.00 41.96 40.13 2kvb s TYR 665 CO 0.05 -0.02 1.72 -3.47 -1.57 0.00 0.00 175.55 172.26 2kvb n ASP 666 N 2.56 1.82 0.00 2.29 2.03 -1.26 -2.30 116.55 121.68 2kvb n ASP 666 Ca -0.15 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.24 2kvb n ASP 666 Cb 0.53 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 4.36 2.34 0.97 0.27 0.00 -1.26 -5.07 105.19 106.80 2kvb n GLY 667 Ca 0.30 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 2kvb n GLY 667 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kvb n MET 668 N 0.00 0.23 -4.19 1.61 2.81 -0.97 -5.04 117.12 111.57 2kvb n MET 668 Ca 0.00 -0.72 -0.35 0.00 -1.81 0.00 0.00 57.70 54.81 2kvb n MET 668 Cb 0.00 0.75 -0.09 0.00 -0.71 0.00 0.00 33.22 33.18 2kvb n MET 668 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2kvb s ILE 669 N -2.61 4.70 -0.01 2.02 1.01 -1.21 -2.82 121.20 122.27 2kvb s ILE 669 Ca 0.07 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.65 2kvb s ILE 669 Cb -0.01 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2kvb s ILE 669 CO 0.05 0.59 -0.10 -1.10 0.00 0.00 0.00 174.94 174.38 2kvb s GLN 670 N -0.74 0.80 -0.15 2.79 -0.21 0.15 0.10 119.66 122.40 2kvb s GLN 670 Ca 0.12 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.14 2kvb s GLN 670 Cb -0.12 -0.78 0.01 0.00 1.00 0.00 0.00 33.01 33.12 2kvb s GLN 670 CO 0.03 0.21 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.05 2kvb s LEU 671 N -0.27 2.25 -0.22 2.90 0.20 0.14 -1.51 118.68 122.17 2kvb s LEU 671 Ca 0.04 -0.56 -0.07 0.00 0.69 0.00 0.00 54.13 54.22 2kvb s LEU 671 Cb -0.04 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.19 2kvb s LEU 671 CO -0.00 0.07 0.05 -0.89 -0.29 0.00 0.00 176.35 175.29 2kvb s THR 672 N 0.91 4.38 0.57 3.68 2.01 -1.26 -1.14 115.64 124.80 2kvb s THR 672 Ca -0.04 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2kvb s THR 672 Cb -0.15 -3.01 0.05 0.00 0.01 0.00 0.00 72.50 69.40 2kvb s THR 672 CO -0.03 0.39 0.80 -0.31 -0.69 0.00 0.00 174.62 174.78 2kvb s TYR 673 N 1.11 2.51 0.67 4.92 2.02 0.38 -4.92 117.35 124.02 2kvb s TYR 673 Ca 0.04 -0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.57 2kvb s TYR 673 Cb -0.14 -2.73 0.14 0.00 -0.40 0.00 0.00 41.96 38.82 2kvb s TYR 673 CO 0.03 -1.02 0.91 0.54 -1.57 0.00 0.00 175.55 174.44 2kvb n ARG 674 N -2.39 -0.17 -0.34 -0.62 5.12 -1.25 -4.32 116.66 112.70 2kvb n ARG 674 Ca 0.10 -2.30 0.17 0.00 -1.93 0.00 0.00 57.85 53.89 2kvb n ARG 674 Cb 0.60 -0.66 0.39 0.00 -1.16 0.00 0.00 32.46 31.63 2kvb n ARG 674 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 2kvb h ASP 675 N -0.65 0.67 0.00 0.55 2.03 -1.91 -3.25 116.42 113.86 2kvb h ASP 675 Ca -0.30 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 2kvb h ASP 675 Cb 1.06 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 2kvb h ASP 675 CO 0.30 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.27 2kvb n GLY 676 N -1.34 1.75 3.22 7.15 0.00 -1.26 -2.60 105.19 112.11 2kvb n GLY 676 Ca 0.26 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 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 1.85 0.65 2.61 2.01 -0.88 -4.93 115.64 116.96 2kvb s THR 677 Ca 0.00 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 2kvb s THR 677 Cb 0.00 -1.57 -0.00 0.00 0.01 0.00 0.00 72.50 70.93 2kvb s THR 677 CO 0.00 0.52 1.11 -2.16 -0.69 0.00 0.00 174.62 173.40 2kvb s PRO 678 N -0.08 2.83 0.00 4.92 0.04 -1.26 -2.25 135.00 139.20 2kvb s PRO 678 Ca -0.04 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2kvb s PRO 678 Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2kvb s PRO 678 CO 0.03 -1.23 0.10 0.66 0.04 0.00 0.00 177.00 176.60 2kvb n TYR 679 N -2.37 0.00 0.00 0.56 4.02 0.77 -4.81 117.16 115.33 2kvb n TYR 679 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2kvb n TYR 679 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kvb n ASN 680 N -0.18 0.00 -4.96 7.72 0.23 -1.26 -5.05 115.26 111.76 2kvb n ASN 680 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.83 2kvb n ASN 680 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2kvb n ASN 680 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kvb s ASN 681 N 0.00 6.07 0.53 0.53 4.22 -1.26 -4.97 114.94 120.07 2kvb s ASN 681 Ca 0.00 0.15 0.24 0.00 -2.14 0.00 0.00 52.86 51.11 2kvb s ASN 681 Cb 0.00 -1.63 1.47 0.00 1.28 0.00 0.00 41.25 42.37 2kvb s ASN 681 CO 0.00 -0.41 2.14 1.05 -2.04 0.00 0.00 177.10 177.83 2kvb h GLU 682 N 0.76 0.00 0.00 3.55 4.11 -2.02 -0.21 114.58 120.78 2kvb h GLU 682 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2kvb h GLU 682 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kvb h GLU 682 CO 0.58 0.07 -0.60 1.17 0.07 0.00 0.00 179.01 180.30 2kvb n LYS 683 N -4.00 0.23 -3.13 1.06 0.00 -1.26 -5.00 118.16 106.06 2kvb n LYS 683 Ca -0.03 0.07 -0.11 0.00 0.00 0.00 0.00 58.31 58.25 2kvb n LYS 683 Cb 0.16 -1.65 0.01 0.00 0.00 0.00 0.00 35.03 33.55 2kvb n LYS 683 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kvb n ARG 684 N -1.98 -1.80 -3.25 1.64 3.00 -0.09 -4.97 116.66 109.20 2kvb n ARG 684 Ca 0.04 1.62 -0.40 0.00 -0.01 0.00 0.00 57.85 59.10 2kvb n ARG 684 Cb 0.42 -4.86 -0.07 0.00 0.00 0.00 0.00 32.46 27.95 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 -2.69 5.09 0.43 0.55 2.01 -1.26 -4.88 115.64 114.89 2kvb s THR 685 Ca 0.13 0.89 -0.26 0.00 0.31 0.00 0.00 61.69 62.76 2kvb s THR 685 Cb -0.03 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 2kvb s THR 685 CO 0.79 0.13 1.42 -2.16 -0.69 0.00 0.00 174.62 174.10 2kvb s PRO 686 N 2.04 3.82 0.43 4.92 0.04 -1.26 -0.16 135.00 144.82 2kvb s PRO 686 Ca 0.22 2.41 -0.07 0.00 0.04 0.00 0.00 61.00 63.59 2kvb s PRO 686 Cb -0.15 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 2kvb s PRO 686 CO 0.09 -0.70 0.76 1.03 0.04 0.00 0.00 177.00 178.22 2kvb s ARG 687 N -2.34 3.65 0.08 4.56 0.52 -0.95 -4.78 118.95 119.69 2kvb s ARG 687 Ca 0.59 0.30 0.01 0.00 -0.52 0.00 0.00 55.73 56.10 2kvb s ARG 687 Cb -0.43 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 2kvb s ARG 687 CO 0.56 -0.10 -0.06 0.00 0.02 0.00 0.00 175.30 175.72 2kvb s ALA 688 N -2.53 0.84 -0.08 2.13 0.00 -1.16 -4.21 121.76 116.75 2kvb s ALA 688 Ca 0.49 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2kvb s ALA 688 Cb -0.10 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2kvb s ALA 688 CO 0.38 -0.22 -0.15 0.99 0.00 0.00 0.00 175.76 176.76 2kvb s THR 689 N -3.28 1.38 -0.07 0.00 2.01 -1.00 0.09 115.64 114.76 2kvb s THR 689 Ca 0.07 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2kvb s THR 689 Cb 0.03 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.31 2kvb s THR 689 CO -0.05 0.41 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.89 2kvb s LEU 690 N 0.60 1.89 -0.15 4.42 2.96 0.12 -0.47 118.68 128.04 2kvb s LEU 690 Ca -0.15 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2kvb s LEU 690 Cb -0.16 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2kvb s LEU 690 CO 0.05 0.12 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.38 2kvb s ILE 691 N 0.31 2.33 -0.30 6.68 1.09 -0.29 -0.73 121.20 130.29 2kvb s ILE 691 Ca -0.11 -0.89 -0.11 0.00 -1.10 0.00 0.00 60.65 58.44 2kvb s ILE 691 Cb -0.15 -1.96 -0.03 0.00 -1.06 0.00 0.00 42.46 39.27 2kvb s ILE 691 CO 0.05 0.53 0.18 -0.89 -0.10 0.00 0.00 174.94 174.71 2kvb s THR 692 N 0.82 5.02 -0.29 2.92 2.01 0.16 -0.68 115.64 125.59 2kvb s THR 692 Ca -0.06 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 2kvb s THR 692 Cb -0.15 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2kvb s THR 692 CO -0.01 0.13 0.33 -0.36 -0.69 0.00 0.00 174.62 174.03 2kvb s PHE 693 N 1.70 3.23 0.19 4.92 0.40 0.11 0.10 117.98 128.64 2kvb s PHE 693 Ca 0.06 0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.70 2kvb s PHE 693 Cb -0.17 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 2kvb s PHE 693 CO 0.09 -0.28 -0.10 -0.51 0.70 0.00 0.00 175.22 175.12 2kvb s LEU 694 N 1.99 2.94 -0.05 -0.37 1.43 0.11 -3.35 118.68 121.38 2kvb s LEU 694 Ca 0.12 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 2kvb s LEU 694 Cb -0.16 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2kvb s LEU 694 CO 0.11 0.09 1.34 0.00 0.23 0.00 0.00 176.35 178.12 2kvb s ASP 696 N 1.91 0.97 0.21 0.00 -1.08 -1.14 -4.84 116.67 112.71 2kvb s ASP 696 Ca 0.61 -0.14 0.11 0.00 -0.52 0.00 0.00 52.55 52.60 2kvb s ASP 696 Cb -0.28 -0.33 0.07 0.00 -1.46 0.00 0.00 42.92 40.92 2kvb s ASP 696 CO 0.24 0.01 1.44 -0.09 0.52 0.00 0.00 175.17 177.29 2kvb h ARG 697 N 6.65 0.00 -2.92 4.34 9.65 -1.95 -3.02 114.38 127.12 2kvb h ARG 697 Ca -0.35 0.00 -0.41 0.00 -1.10 0.00 0.00 59.98 58.13 2kvb h ARG 697 Cb 1.17 0.00 -0.39 0.00 -1.39 0.00 0.00 29.97 29.35 2kvb h ARG 697 CO 0.49 0.75 -0.71 -0.51 2.80 0.00 0.00 179.97 182.79 2kvb s ASP 698 N -6.66 1.93 0.32 -3.80 1.01 -1.26 -4.87 116.67 103.34 2kvb s ASP 698 Ca 0.01 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 52.85 2kvb s ASP 698 Cb 0.10 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.99 2kvb s ASP 698 CO 0.78 -0.33 0.00 0.00 0.21 0.00 0.00 175.17 175.83 2kvb n ALA 699 N 5.29 0.00 0.00 5.23 0.00 -1.26 -5.04 120.51 124.73 2kvb n ALA 699 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kvb n ALA 699 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.46 0.36 0.28 0.00 0.00 -1.26 -4.61 105.19 98.50 2kvb n GLY 700 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2kvb h VAL 701 N 0.00 1.27 0.00 1.61 -1.51 -1.99 -3.31 116.25 112.32 2kvb h VAL 701 Ca 0.00 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 2kvb h VAL 701 Cb 0.00 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 2kvb h VAL 701 CO 0.00 0.47 0.00 0.61 -1.23 0.00 0.00 177.57 177.42 2kvb n GLY 702 N -0.16 2.77 3.21 5.19 0.00 -1.25 -4.55 105.19 110.40 2kvb n GLY 702 Ca 0.00 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 2kvb n GLY 702 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 703 N -2.05 3.14 0.37 1.61 0.40 -1.26 -4.94 117.98 115.27 2kvb s PHE 703 Ca 0.00 -1.58 -0.26 0.00 -0.60 0.00 0.00 56.93 54.48 2kvb s PHE 703 Cb 0.00 -2.10 -0.09 0.00 0.51 0.00 0.00 43.02 41.34 2kvb s PHE 703 CO 0.00 -0.73 1.20 -1.25 0.70 0.00 0.00 175.22 175.14 2kvb s PRO 704 N 1.33 4.18 0.02 0.24 0.04 -1.26 -3.94 135.00 135.60 2kvb s PRO 704 Ca -0.01 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.04 2kvb s PRO 704 Cb -0.18 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 2kvb s PRO 704 CO -0.02 -0.24 -0.21 -2.00 0.04 0.00 0.00 177.00 174.57 2kvb s GLU 705 N -2.09 2.08 -0.26 4.56 2.56 0.14 -4.79 118.70 120.91 2kvb s GLU 705 Ca 0.54 -0.96 -0.11 0.00 0.00 0.00 0.00 54.97 54.44 2kvb s GLU 705 Cb -0.33 -2.14 -0.05 0.00 2.00 0.00 0.00 34.13 33.60 2kvb s GLU 705 CO 0.43 0.55 0.20 -0.47 -0.56 0.00 0.00 175.26 175.41 2kvb s TYR 706 N -0.81 3.28 0.00 5.30 5.04 -1.26 0.24 117.35 129.13 2kvb s TYR 706 Ca 0.13 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 2kvb s TYR 706 Cb -0.10 -2.35 0.00 0.00 0.35 0.00 0.00 41.96 39.86 2kvb s TYR 706 CO 0.03 -0.05 0.00 1.04 -1.34 0.00 0.00 175.55 175.23 2kvb n GLN 707 N 4.68 0.00 -3.64 4.97 3.00 -0.73 -4.99 117.38 120.66 2kvb n GLN 707 Ca -0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.80 2kvb n GLN 707 Cb 0.52 -0.29 -0.07 0.00 0.00 0.00 0.00 30.24 30.40 2kvb n GLN 707 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2kvb s GLU 708 N 0.00 0.37 -0.05 -1.09 -1.05 -1.26 -5.05 118.70 110.57 2kvb s GLU 708 Ca 0.00 0.52 -0.29 0.00 -0.15 0.00 0.00 54.97 55.05 2kvb s GLU 708 Cb 0.00 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 2kvb s GLU 708 CO 0.00 -0.06 0.95 -2.00 0.95 0.00 0.00 175.26 175.10 2kvb s GLU 709 N 0.69 4.49 0.00 -4.83 -6.30 -1.26 -4.09 118.70 107.40 2kvb s GLU 709 Ca -0.02 1.33 0.00 0.00 -2.50 0.00 0.00 54.97 53.78 2kvb s GLU 709 Cb -0.04 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.60 2kvb s GLU 709 CO -0.11 -0.12 0.00 -3.47 0.02 0.00 0.00 175.26 171.58 2kvb n ASP 710 N 4.25 0.00 -0.42 -1.70 -0.08 -1.25 -4.91 116.55 112.45 2kvb n ASP 710 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2kvb n ASP 710 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2kvb n ASP 710 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kvb n ASN 711 N -0.92 0.66 0.00 1.67 3.02 -1.26 -4.73 115.26 113.70 2kvb n ASN 711 Ca 0.00 -1.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 2kvb n ASN 711 Cb 0.00 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2kvb n SER 712 N 0.01 -0.29 -4.05 6.41 3.41 -1.26 -4.67 113.62 113.19 2kvb n SER 712 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2kvb n SER 712 Cb 0.16 -1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 62.49 2kvb n SER 712 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2kvb s THR 713 N -2.19 0.50 -0.25 6.66 -1.32 -1.26 -2.96 115.64 114.81 2kvb s THR 713 Ca 0.00 -0.97 -0.23 0.00 -1.21 0.00 0.00 61.69 59.29 2kvb s THR 713 Cb 0.00 -0.56 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 2kvb s THR 713 CO 0.00 -0.33 0.75 -0.31 -2.21 0.00 0.00 174.62 172.52 2kvb s TYR 714 N -1.23 3.29 -0.23 9.09 1.51 0.11 -3.78 117.35 126.12 2kvb s TYR 714 Ca -0.09 0.98 -0.10 0.00 -1.01 0.00 0.00 57.07 56.85 2kvb s TYR 714 Cb -0.09 -2.98 -0.05 0.00 -0.11 0.00 0.00 41.96 38.73 2kvb s TYR 714 CO 0.00 -0.39 0.15 -0.80 -1.11 0.00 0.00 175.55 173.41 2kvb s ASN 715 N 1.41 6.13 -0.04 2.29 -0.87 -1.25 0.15 114.94 122.76 2kvb s ASN 715 Ca 0.31 0.14 0.04 0.00 -1.57 0.00 0.00 52.86 51.79 2kvb s ASN 715 Cb -0.15 -2.10 -0.02 0.00 -0.02 0.00 0.00 41.25 38.96 2kvb s ASN 715 CO 0.08 0.10 -0.16 -0.36 -2.57 0.00 0.00 177.10 174.19 2kvb s PHE 716 N 0.85 2.64 -0.27 2.20 0.40 0.09 -1.78 117.98 122.12 2kvb s PHE 716 Ca 0.08 -0.20 -0.07 0.00 -0.60 0.00 0.00 56.93 56.13 2kvb s PHE 716 Cb -0.13 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2kvb s PHE 716 CO 0.03 0.15 0.07 0.50 0.70 0.00 0.00 175.22 176.67 2kvb s ARG 717 N -0.72 3.47 -0.14 0.44 3.52 0.14 0.39 118.95 126.05 2kvb s ARG 717 Ca 0.11 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2kvb s ARG 717 Cb -0.10 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2kvb s ARG 717 CO 0.00 -0.28 -0.11 -0.46 -0.81 0.00 0.00 175.30 173.65 2kvb s TRP 718 N 1.58 2.86 -0.38 5.12 -0.11 0.12 0.24 118.94 128.37 2kvb s TRP 718 Ca 0.05 -0.57 -0.09 0.00 1.22 0.00 0.00 56.10 56.71 2kvb s TRP 718 Cb -0.16 -1.88 0.05 0.00 -1.50 0.00 0.00 33.47 29.99 2kvb s TRP 718 CO 0.03 -0.18 0.20 0.71 -4.62 0.00 0.00 176.95 173.10 2kvb s TYR 719 N 0.38 3.29 0.00 5.86 2.02 -1.25 0.07 117.35 127.71 2kvb s TYR 719 Ca -0.09 -1.31 -0.00 0.00 -0.37 0.00 0.00 57.07 55.30 2kvb s TYR 719 Cb -0.15 -2.61 -0.00 0.00 -0.40 0.00 0.00 41.96 38.80 2kvb s TYR 719 CO 0.05 -0.75 0.00 -0.08 -1.57 0.00 0.00 175.55 173.20 2kvb s THR 720 N 1.46 0.02 0.24 -0.71 -1.32 -0.73 -3.83 115.64 110.79 2kvb s THR 720 Ca 0.01 -0.18 0.25 0.00 -1.21 0.00 0.00 61.69 60.57 2kvb s THR 720 Cb -0.21 -0.07 0.25 0.00 -1.51 0.00 0.00 72.50 70.96 2kvb s THR 720 CO 0.04 -0.10 1.91 0.28 -2.21 0.00 0.00 174.62 174.54 2kvb h SER 721 N 5.84 0.00 0.98 8.08 0.02 -1.61 -2.99 113.55 123.87 2kvb h SER 721 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2kvb h SER 721 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2kvb h SER 721 CO 0.49 0.20 0.00 1.88 -1.14 0.00 0.00 176.83 178.26 2kvb h TYR 722 N 0.00 0.00 -0.52 3.45 0.05 -1.87 -2.65 116.97 115.43 2kvb h TYR 722 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kvb h TYR 722 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2kvb h TYR 722 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 2kvb n ALA 723 N -1.88 3.14 -3.01 3.88 0.00 -1.15 -4.64 120.51 116.85 2kvb n ALA 723 Ca 0.02 -1.77 -0.35 0.00 0.00 0.00 0.00 53.44 51.35 2kvb n ALA 723 Cb 0.29 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50