#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifq s THR 629 N 0.00 5.07 -0.25 2.52 2.01 -1.20 -4.93 115.64 118.87 3ifq s THR 629 Ca 0.00 0.98 -0.08 0.00 0.31 0.00 0.00 61.69 62.91 3ifq s THR 629 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3ifq s THR 629 CO 0.00 0.12 0.08 -0.13 -0.69 0.00 0.00 174.62 174.00 3ifq s ARG 630 N 2.00 3.71 -0.05 4.92 0.52 -1.26 -1.34 118.95 127.45 3ifq s ARG 630 Ca 0.24 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 3ifq s ARG 630 Cb -0.16 -3.34 0.02 0.00 0.52 0.00 0.00 34.95 31.99 3ifq s ARG 630 CO 0.09 -0.14 -0.07 1.21 0.02 0.00 0.00 175.30 176.41 3ifq s ASN 631 N 1.51 1.19 0.17 0.23 2.47 -0.85 -4.99 114.94 114.68 3ifq s ASN 631 Ca 0.06 -0.18 -0.24 0.00 0.42 0.00 0.00 52.86 52.92 3ifq s ASN 631 Cb -0.15 -0.56 -0.08 0.00 -1.45 0.00 0.00 41.25 39.01 3ifq s ASN 631 CO 0.04 -0.03 0.76 -1.81 -3.72 0.00 0.00 177.10 172.35 3ifq s ASP 632 N 0.83 7.32 -0.18 -4.21 1.01 -1.26 0.87 116.67 121.04 3ifq s ASP 632 Ca -0.12 1.59 -0.00 0.00 0.71 0.00 0.00 52.55 54.73 3ifq s ASP 632 Cb -0.15 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.31 3ifq s ASP 632 CO 0.01 0.18 -0.15 -0.69 0.21 0.00 0.00 175.17 174.73 3ifq s VAL 633 N -1.22 2.53 0.29 -1.27 1.01 0.13 -4.92 120.40 116.95 3ifq s VAL 633 Ca 0.37 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 3ifq s VAL 633 Cb -0.22 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 3ifq s VAL 633 CO 0.25 0.51 1.15 0.00 0.00 0.00 0.00 175.10 177.00 3ifq s ALA 634 N 1.14 3.43 -1.24 5.51 0.00 -1.26 -3.79 121.76 125.54 3ifq s ALA 634 Ca 0.01 0.98 -0.21 0.00 0.00 0.00 0.00 51.96 52.74 3ifq s ALA 634 Cb -0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3ifq s ALA 634 CO -0.06 -0.27 1.85 -0.35 0.00 0.00 0.00 175.76 176.93 3ifq n PRO 635 N 1.14 2.31 0.16 0.00 -0.04 -1.26 -4.76 135.00 132.55 3ifq n PRO 635 Ca -0.01 -2.83 0.01 0.00 -0.04 0.00 0.00 63.50 60.63 3ifq n PRO 635 Cb 0.44 -3.63 0.24 0.00 -0.04 0.00 0.00 33.50 30.51 3ifq n PRO 635 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3ifq h THR 636 N 5.89 1.32 0.00 0.52 2.02 -1.98 -2.64 112.91 118.04 3ifq h THR 636 Ca 0.32 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.66 3ifq h THR 636 Cb 0.91 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3ifq h THR 636 CO 1.33 0.52 0.00 0.18 0.37 0.00 0.00 175.52 177.92 3ifq n LEU 637 N -3.83 0.30 -4.59 2.58 4.77 -1.26 -4.75 117.00 110.21 3ifq n LEU 637 Ca -0.01 -0.15 -0.34 0.00 -0.03 0.00 0.00 56.01 55.48 3ifq n LEU 637 Cb 0.55 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 3ifq n LEU 637 CO 0.40 0.07 -0.33 -0.04 -1.33 0.00 0.00 177.39 176.17 3ifq s MET 638 N -1.69 3.36 0.01 3.23 -1.94 -1.00 -5.10 119.30 116.17 3ifq s MET 638 Ca 0.00 -0.46 -0.19 0.00 -1.71 0.00 0.00 55.69 53.33 3ifq s MET 638 Cb 0.00 -2.87 -0.06 0.00 2.01 0.00 0.00 34.83 33.91 3ifq s MET 638 CO 0.00 0.46 0.55 -1.12 -0.01 0.00 0.00 175.02 174.90 3ifq s SER 639 N -0.22 6.96 0.64 3.03 0.01 -1.26 -4.88 113.70 117.97 3ifq s SER 639 Ca 0.05 1.14 -0.18 0.00 1.31 0.00 0.00 55.95 58.26 3ifq s SER 639 Cb -0.13 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 3ifq s SER 639 CO 0.02 0.19 1.29 1.33 0.41 0.00 0.00 173.24 176.47 3ifq n VAL 640 N 2.33 4.81 -0.76 3.43 0.24 -1.26 -4.72 118.33 122.40 3ifq n VAL 640 Ca -0.09 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 61.42 3ifq n VAL 640 Cb 0.51 -1.50 0.22 0.00 -1.47 0.00 0.00 33.84 31.61 3ifq n VAL 640 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3ifq s PRO 641 N -3.30 -0.34 -0.20 7.34 0.04 -1.26 -5.02 135.00 132.27 3ifq s PRO 641 Ca 0.81 0.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 3ifq s PRO 641 Cb -0.39 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.54 3ifq s PRO 641 CO 0.41 -3.32 -0.13 -0.65 0.04 0.00 0.00 177.00 173.35 3ifq s GLN 642 N -4.64 3.13 -0.11 4.56 -0.21 -1.26 -5.09 119.66 116.04 3ifq s GLN 642 Ca 0.67 -0.76 -0.05 0.00 0.02 0.00 0.00 55.36 55.24 3ifq s GLN 642 Cb -0.23 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 3ifq s GLN 642 CO 0.62 -0.22 0.09 0.71 -2.12 0.00 0.00 175.29 174.37 3ifq s TYR 643 N 1.37 3.42 0.44 0.91 1.51 -1.26 -4.85 117.35 118.89 3ifq s TYR 643 Ca 0.05 0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 56.24 3ifq s TYR 643 Cb -0.14 -1.90 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 3ifq s TYR 643 CO -0.09 0.60 1.32 1.03 -1.11 0.00 0.00 175.55 177.30 3ifq s ARG 644 N -0.86 3.79 1.12 -0.62 0.52 -1.26 -5.01 118.95 116.63 3ifq s ARG 644 Ca 0.13 2.17 -0.12 0.00 -0.52 0.00 0.00 55.73 57.39 3ifq s ARG 644 Cb -0.12 -2.64 0.26 0.00 0.52 0.00 0.00 34.95 32.98 3ifq s ARG 644 CO 0.03 -0.65 1.04 -2.14 0.02 0.00 0.00 175.30 173.61 3ifq s PRO 645 N -2.41 -0.60 -0.23 3.54 0.02 -1.26 -4.97 135.00 129.09 3ifq s PRO 645 Ca 0.60 0.86 -0.12 0.00 0.02 0.00 0.00 61.00 62.36 3ifq s PRO 645 Cb -0.38 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3ifq s PRO 645 CO 0.48 -3.52 0.23 0.50 -0.33 0.00 0.00 177.00 174.36 3ifq s ARG 646 N -4.54 4.11 0.43 5.54 3.52 -1.26 -5.05 118.95 121.70 3ifq s ARG 646 Ca 0.68 -0.13 -0.07 0.00 -0.13 0.00 0.00 55.73 56.07 3ifq s ARG 646 Cb -0.24 -3.53 0.11 0.00 -1.56 0.00 0.00 34.95 29.73 3ifq s ARG 646 CO 0.63 0.05 0.38 -2.30 -0.81 0.00 0.00 175.30 173.25 3ifq n PRO 647 N 4.30 -1.79 -0.04 5.12 -0.02 -1.26 -5.05 135.00 136.26 3ifq n PRO 647 Ca -0.13 -0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 60.65 3ifq n PRO 647 Cb 0.52 -0.58 -0.03 0.00 -0.02 0.00 0.00 33.50 33.39 3ifq n PRO 647 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ifq n ALA 648 N -3.66 2.48 -1.69 3.55 0.00 -1.26 -4.99 120.51 114.93 3ifq n ALA 648 Ca -0.07 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3ifq n ALA 648 Cb 0.21 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 3ifq n ALA 648 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ifq s ASN 649 N -5.73 6.21 0.00 0.00 0.01 -1.26 -4.82 114.94 109.35 3ifq s ASN 649 Ca -0.11 2.41 0.00 0.00 -0.71 0.00 0.00 52.86 54.45 3ifq s ASN 649 Cb 0.04 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.18 3ifq s ASN 649 CO 0.14 -1.28 0.40 -2.65 -1.51 0.00 0.00 177.10 172.21 3ifq n PRO 650 N 7.83 0.00 0.03 -0.60 -0.02 -1.26 -0.52 135.00 140.46 3ifq n PRO 650 Ca 0.22 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.68 3ifq n PRO 650 Cb 0.42 -1.40 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 3ifq n PRO 650 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ifq h ASP 651 N 0.00 0.00 0.70 2.55 5.19 -2.02 -3.35 116.42 119.48 3ifq h ASP 651 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ifq h ASP 651 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3ifq h ASP 651 CO 0.00 0.67 -1.06 -0.62 -3.12 0.00 0.00 179.24 175.11 3ifq n GLU 652 N -2.96 0.46 0.19 3.56 1.02 0.33 -3.88 120.64 119.36 3ifq n GLU 652 Ca -0.10 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.21 3ifq n GLU 652 Cb 0.87 -1.70 0.68 0.00 -0.02 0.00 0.00 31.44 31.28 3ifq n GLU 652 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3ifq h ILE 653 N 0.00 0.87 -0.59 -3.67 2.10 -1.67 0.11 117.51 114.66 3ifq h ILE 653 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.96 3ifq h ILE 653 Cb 0.88 0.92 -0.03 0.00 -1.09 0.00 0.00 36.82 37.49 3ifq h ILE 653 CO 0.00 0.00 0.38 1.23 -1.08 0.00 0.00 178.15 178.68 3ifq h GLY 654 N 0.00 0.84 1.83 8.18 0.00 -1.77 -0.42 103.07 111.73 3ifq h GLY 654 Ca 0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 46.89 3ifq h GLY 654 CO -0.00 0.27 -1.00 3.43 0.00 0.00 0.00 176.54 179.24 3ifq h ASN 655 N 0.76 0.20 0.39 0.19 2.35 -1.38 -2.94 115.58 115.15 3ifq h ASN 655 Ca 0.23 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3ifq h ASN 655 Cb -0.04 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3ifq h ASN 655 CO -0.07 1.08 -0.20 0.15 -1.65 0.00 0.00 177.43 176.73 3ifq h PHE 656 N 0.06 -0.53 -0.69 1.19 3.57 -0.51 0.16 116.94 120.18 3ifq h PHE 656 Ca -0.05 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.46 3ifq h PHE 656 Cb 1.70 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.58 3ifq h PHE 656 CO 0.03 -0.33 0.45 0.82 -2.23 0.00 0.00 178.31 177.05 3ifq h ILE 657 N -0.55 1.13 0.00 1.41 2.04 -1.19 -0.20 117.51 120.15 3ifq h ILE 657 Ca -0.05 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 3ifq h ILE 657 Cb 0.43 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3ifq h ILE 657 CO 0.08 0.16 -0.20 0.44 0.00 0.00 0.00 178.15 178.62 3ifq h ASP 658 N 0.89 0.00 0.00 1.72 3.32 -1.32 -1.52 116.42 119.51 3ifq h ASP 658 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3ifq h ASP 658 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3ifq h ASP 658 CO -0.08 0.20 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.13 3ifq h GLU 659 N 0.00 0.00 -0.36 3.56 4.39 -0.06 -3.31 114.58 118.80 3ifq h GLU 659 Ca -0.00 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 3ifq h GLU 659 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3ifq h GLU 659 CO 0.03 0.28 0.25 -0.91 -1.16 0.00 0.00 179.01 177.50 3ifq h ASN 660 N -1.00 0.07 -0.86 1.42 4.21 -1.10 -0.92 115.58 117.40 3ifq h ASN 660 Ca -0.02 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.52 3ifq h ASN 660 Cb 0.39 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 3ifq h ASN 660 CO -0.02 0.04 0.55 0.25 -1.29 0.00 0.00 177.43 176.97 3ifq h LEU 661 N 0.08 0.91 -2.14 1.61 5.85 -1.41 -0.44 115.31 119.77 3ifq h LEU 661 Ca 0.17 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3ifq h LEU 661 Cb 0.57 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3ifq h LEU 661 CO -0.01 0.63 -0.07 0.50 -0.34 0.00 0.00 178.44 179.14 3ifq h LYS 662 N 1.07 0.00 0.15 1.25 1.63 -1.25 -2.49 116.57 116.93 3ifq h LYS 662 Ca 0.34 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.93 3ifq h LYS 662 Cb 0.01 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3ifq h LYS 662 CO -0.12 0.07 -0.94 0.00 -3.45 0.00 0.00 179.45 175.01 3ifq h ALA 663 N 1.93 -0.09 0.00 5.00 0.00 -1.10 -3.29 119.26 121.71 3ifq h ALA 663 Ca -0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3ifq h ALA 663 Cb 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ifq h ALA 663 CO 0.01 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 3ifq h ALA 664 N 0.12 1.34 0.00 0.00 0.00 -0.98 -1.80 119.26 117.93 3ifq h ALA 664 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ifq h ALA 664 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3ifq h ALA 664 CO 0.18 0.09 -0.01 -0.44 0.00 0.00 0.00 179.25 179.07 3ifq h ASP 665 N 0.00 0.00 -2.02 0.00 3.32 -1.53 -3.28 116.42 112.91 3ifq h ASP 665 Ca -0.00 -0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3ifq h ASP 665 Cb 0.21 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.37 3ifq h ASP 665 CO 0.01 0.00 -0.32 -1.20 -1.72 0.00 0.00 179.24 176.01 3ifq n SER 666 N -2.67 5.17 -4.16 6.45 7.64 -0.68 -4.98 113.62 120.39 3ifq n SER 666 Ca 0.05 -3.71 -0.39 0.00 1.01 0.00 0.00 58.87 55.83 3ifq n SER 666 Cb 0.48 -0.65 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 3ifq n SER 666 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ifq s ASP 667 N -3.04 5.56 0.59 6.43 -1.08 -1.24 -4.70 116.67 119.20 3ifq s ASP 667 Ca 0.48 -2.38 0.38 0.00 -0.52 0.00 0.00 52.55 50.51 3ifq s ASP 667 Cb 0.32 -1.94 1.86 0.00 -1.46 0.00 0.00 42.92 41.70 3ifq s ASP 667 CO -0.18 -0.53 2.15 1.55 0.52 0.00 0.00 175.17 178.69 3ifq h PRO 668 N 7.76 0.00 0.00 4.34 0.13 -1.94 -2.29 132.00 140.00 3ifq h PRO 668 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 3ifq h PRO 668 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 3ifq h PRO 668 CO 0.76 0.00 -0.16 1.15 -0.23 0.00 0.00 178.00 179.52 3ifq h THR 669 N 0.00 0.72 -3.76 1.56 2.02 -1.90 -3.44 112.91 108.11 3ifq h THR 669 Ca 0.00 -0.68 -0.49 0.00 0.77 0.00 0.00 66.41 66.02 3ifq h THR 669 Cb 0.25 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3ifq h THR 669 CO 0.00 0.16 0.24 0.00 0.37 0.00 0.00 175.52 176.29 3ifq s ALA 670 N -4.21 3.28 1.03 6.16 0.00 -0.87 -4.91 121.76 122.25 3ifq s ALA 670 Ca -0.03 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 3ifq s ALA 670 Cb 0.13 -3.01 0.13 0.00 0.00 0.00 0.00 23.12 20.37 3ifq s ALA 670 CO 0.62 0.24 0.61 -2.30 0.00 0.00 0.00 175.76 174.93 3ifq n PRO 671 N 0.48 -1.09 -1.12 0.00 -0.02 -1.26 -4.82 135.00 127.17 3ifq n PRO 671 Ca 0.01 -0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 60.91 3ifq n PRO 671 Cb 0.51 -2.01 0.13 0.00 -0.02 0.00 0.00 33.50 32.11 3ifq n PRO 671 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ifq s PRO 672 N -3.98 1.49 0.06 0.52 0.02 -1.26 -5.11 135.00 126.73 3ifq s PRO 672 Ca 0.61 1.05 0.04 0.00 0.02 0.00 0.00 61.00 62.73 3ifq s PRO 672 Cb -0.20 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 3ifq s PRO 672 CO 0.64 -2.15 -0.04 0.71 -0.33 0.00 0.00 177.00 175.84 3ifq s TYR 673 N -2.86 2.93 0.49 6.54 2.02 -1.26 -5.03 117.35 120.17 3ifq s TYR 673 Ca 0.63 -0.04 -0.23 0.00 -0.37 0.00 0.00 57.07 57.07 3ifq s TYR 673 Cb -0.19 -1.56 -0.06 0.00 -0.40 0.00 0.00 41.96 39.75 3ifq s TYR 673 CO 0.57 0.44 1.27 -0.51 -1.57 0.00 0.00 175.55 175.75 3ifq s ASP 674 N -1.95 5.81 0.35 2.29 1.11 -1.25 -4.78 116.67 118.25 3ifq s ASP 674 Ca 0.22 2.55 0.09 0.00 0.18 0.00 0.00 52.55 55.59 3ifq s ASP 674 Cb -0.11 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.19 3ifq s ASP 674 CO 0.14 -1.18 -0.05 -0.94 1.18 0.00 0.00 175.17 174.31 3ifq s SER 675 N -1.10 3.86 0.02 0.27 1.04 -1.26 -0.69 113.70 115.84 3ifq s SER 675 Ca 0.66 -1.18 0.07 0.00 0.48 0.00 0.00 55.95 55.98 3ifq s SER 675 Cb -0.35 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.35 3ifq s SER 675 CO 0.42 -0.25 -0.21 -0.76 0.98 0.00 0.00 173.24 173.42 3ifq s LEU 676 N -3.65 2.43 -0.35 2.42 1.43 0.25 -4.90 118.68 116.31 3ifq s LEU 676 Ca 0.34 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3ifq s LEU 676 Cb 0.03 -1.44 0.10 0.00 0.03 0.00 0.00 46.19 44.91 3ifq s LEU 676 CO 0.17 0.28 0.07 -0.76 0.23 0.00 0.00 176.35 176.35 3ifq s LEU 677 N -1.17 4.83 -0.13 1.79 1.43 -1.26 -2.00 118.68 122.17 3ifq s LEU 677 Ca 0.13 -2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 50.81 3ifq s LEU 677 Cb -0.10 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3ifq s LEU 677 CO 0.03 -0.40 1.32 -0.69 0.23 0.00 0.00 176.35 176.83 3ifq s VAL 678 N 0.95 4.15 0.08 -1.59 1.01 -0.45 -4.94 120.40 119.60 3ifq s VAL 678 Ca 0.10 1.41 0.06 0.00 0.00 0.00 0.00 61.98 63.55 3ifq s VAL 678 Cb -0.20 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3ifq s VAL 678 CO -0.07 -0.10 -0.07 -0.36 0.00 0.00 0.00 175.10 174.50 3ifq s PHE 679 N 3.33 2.84 -0.35 5.22 0.40 -1.26 -3.23 117.98 124.93 3ifq s PHE 679 Ca 0.58 -0.10 0.14 0.00 -0.60 0.00 0.00 56.93 56.95 3ifq s PHE 679 Cb -0.24 -1.50 0.43 0.00 0.51 0.00 0.00 43.02 42.22 3ifq s PHE 679 CO 0.18 0.43 1.18 -0.40 0.70 0.00 0.00 175.22 177.31 3ifq n ASP 680 N 0.84 -0.16 -4.60 1.36 5.75 -1.26 -5.10 116.55 113.39 3ifq n ASP 680 Ca -0.13 -2.52 -0.43 0.00 -0.01 0.00 0.00 54.79 51.70 3ifq n ASP 680 Cb 0.52 0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.80 3ifq n ASP 680 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3ifq s TYR 681 N -1.55 2.50 -2.55 2.11 5.04 -1.26 -4.87 117.35 116.76 3ifq s TYR 681 Ca 0.24 0.67 0.24 0.00 -2.44 0.00 0.00 57.07 55.78 3ifq s TYR 681 Cb 0.42 -4.36 0.68 0.00 0.35 0.00 0.00 41.96 39.06 3ifq s TYR 681 CO -0.03 -1.80 1.53 -1.91 -1.34 0.00 0.00 175.55 172.00 3ifq n GLU 682 N 8.06 1.96 0.00 4.97 2.13 -1.26 -5.23 120.64 131.26 3ifq n GLU 682 Ca 0.15 -1.41 0.00 0.00 0.66 0.00 0.00 57.16 56.56 3ifq n GLU 682 Cb 0.48 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.74 3ifq n GLU 682 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ifq n GLY 683 N 1.25 0.62 2.95 8.31 0.00 -1.26 -5.29 105.19 111.77 3ifq n GLY 683 Ca 0.17 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 3ifq n GLY 683 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ifq s GLY 685 N 0.00 -0.06 -0.14 -0.02 0.00 -1.26 -5.27 107.32 100.57 3ifq s GLY 685 Ca 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 44.72 45.47 3ifq s GLY 685 CO 0.00 1.71 0.29 -0.54 0.00 0.00 0.00 173.10 174.56 3ifq s GLU 687 N 2.14 0.19 -0.39 2.90 0.41 -1.26 -5.25 118.70 117.45 3ifq s GLU 687 Ca -0.00 0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 55.04 3ifq s GLU 687 Cb -0.12 0.02 0.02 0.00 -1.78 0.00 0.00 34.13 32.27 3ifq s GLU 687 CO -0.07 -0.26 1.13 0.00 -0.49 0.00 0.00 175.26 175.56 3ifq s ALA 688 N 2.31 3.32 0.00 5.21 0.00 -1.26 -4.87 121.76 126.47 3ifq s ALA 688 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3ifq s ALA 688 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3ifq s ALA 688 CO -0.09 -1.87 0.73 0.00 0.00 0.00 0.00 175.76 174.52 3ifq n ALA 689 N 7.42 1.79 -1.83 0.00 0.00 -1.26 -4.74 120.51 121.90 3ifq n ALA 689 Ca 0.12 -0.73 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 3ifq n ALA 689 Cb 0.48 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.99 3ifq n ALA 689 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ifq n SER 690 N -0.27 4.80 -1.96 0.00 7.64 -1.26 -5.18 113.62 117.40 3ifq n SER 690 Ca 0.00 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.10 3ifq n SER 690 Cb 0.24 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 3ifq n SER 690 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ifq n LEU 691 N -0.82 0.00 -4.51 -3.43 4.77 -1.26 -5.28 117.00 106.48 3ifq n LEU 691 Ca 0.43 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.17 3ifq n LEU 691 Cb 0.91 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.89 3ifq n LEU 691 CO 0.40 0.00 -0.44 -0.94 -1.33 0.00 0.00 177.39 175.08 3ifq s SER 693 N -1.00 3.67 0.00 -1.43 1.04 -1.26 -5.19 113.70 109.53 3ifq s SER 693 Ca 0.00 -1.09 0.23 0.00 0.48 0.00 0.00 55.95 55.57 3ifq s SER 693 Cb 0.00 -0.33 0.68 0.00 0.10 0.00 0.00 66.02 66.47 3ifq s SER 693 CO 0.00 -0.06 1.52 0.18 0.98 0.00 0.00 173.24 175.86 3ifq n LEU 694 N -0.70 2.10 -4.76 2.42 4.77 -1.26 -4.99 117.00 114.59 3ifq n LEU 694 Ca -0.05 -0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 54.69 3ifq n LEU 694 Cb 0.61 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3ifq n LEU 694 CO 0.40 0.42 0.96 0.20 -1.33 0.00 0.00 177.39 178.04 3ifq s ASN 695 N -1.65 5.91 0.00 -1.43 0.01 -1.26 -5.45 114.94 111.07 3ifq s ASN 695 Ca 0.34 2.65 0.00 0.00 -0.71 0.00 0.00 52.86 55.14 3ifq s ASN 695 Cb 0.19 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3ifq s ASN 695 CO 0.29 -1.13 0.00 -1.54 -1.51 0.00 0.00 177.10 173.21 3ifq n SER 696 N -0.39 0.00 0.00 -1.22 3.41 -1.26 -5.39 113.62 108.76 3ifq n SER 696 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3ifq n SER 696 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3ifq n SER 696 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3ifq n ASP 702 N -0.52 0.00 0.00 4.04 -0.08 -1.26 -5.31 116.55 113.42 3ifq n ASP 702 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3ifq n ASP 702 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3ifq n ASP 702 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 3ifq n GLN 703 N 0.00 1.21 -3.21 -0.67 -0.06 -1.26 -5.10 117.38 108.28 3ifq n GLN 703 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.65 3ifq n GLN 703 Cb 0.00 -0.69 -0.06 0.00 -4.06 0.00 0.00 30.24 25.43 3ifq n GLN 703 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3ifq s ASP 704 N -2.06 6.88 -0.24 1.69 1.01 -1.26 -4.99 116.67 117.71 3ifq s ASP 704 Ca 0.00 1.24 0.14 0.00 0.71 0.00 0.00 52.55 54.63 3ifq s ASP 704 Cb 0.00 -2.35 0.57 0.00 1.01 0.00 0.00 42.92 42.15 3ifq s ASP 704 CO 0.00 -0.02 1.51 -1.22 0.21 0.00 0.00 175.17 175.65 3ifq n TYR 705 N 0.38 1.29 0.26 4.23 4.01 -1.26 -4.72 117.16 121.34 3ifq n TYR 705 Ca -0.01 -1.11 0.16 0.00 -0.16 0.00 0.00 57.90 56.77 3ifq n TYR 705 Cb 0.52 -0.43 0.81 0.00 -0.31 0.00 0.00 39.34 39.93 3ifq n TYR 705 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3ifq h ASP 706 N 1.80 0.00 0.62 7.72 3.32 -1.94 -2.18 116.42 125.76 3ifq h ASP 706 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ifq h ASP 706 Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.23 3ifq h ASP 706 CO 0.37 0.00 0.00 0.10 -1.72 0.00 0.00 179.24 177.99 3ifq h TYR 707 N 0.00 0.00 -0.39 4.55 -0.00 -1.91 -2.92 116.97 116.31 3ifq h TYR 707 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 3ifq h TYR 707 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.78 3ifq h TYR 707 CO 0.00 0.00 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.09 3ifq h LEU 708 N 0.00 0.58 -2.75 0.10 3.38 -1.69 -2.70 115.31 112.23 3ifq h LEU 708 Ca 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ifq h LEU 708 Cb 0.31 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ifq h LEU 708 CO 0.00 0.65 -0.00 0.78 0.09 0.00 0.00 178.44 179.96 3ifq h ASN 709 N 0.58 0.00 -0.39 -0.43 2.35 -1.75 -1.51 115.58 114.43 3ifq h ASN 709 Ca 0.12 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 3ifq h ASN 709 Cb 0.37 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.65 3ifq h ASN 709 CO 0.01 0.00 0.02 -0.62 -1.65 0.00 0.00 177.43 175.20 3ifq n GLU 710 N -3.38 2.31 -0.30 0.81 1.02 -1.02 -4.43 120.64 115.66 3ifq n GLU 710 Ca -0.03 -3.05 0.07 0.00 -0.02 0.00 0.00 57.16 54.13 3ifq n GLU 710 Cb 0.08 -1.87 0.21 0.00 -0.02 0.00 0.00 31.44 29.84 3ifq n GLU 710 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3ifq n TRP 711 N -0.88 0.70 -1.42 -0.32 7.02 -0.57 -5.09 117.44 116.88 3ifq n TRP 711 Ca 0.32 -0.62 0.00 0.00 -1.02 0.00 0.00 57.50 56.17 3ifq n TRP 711 Cb 1.05 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.81 3ifq n TRP 711 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ifq n GLY 712 N 0.28 -2.26 0.34 6.99 0.00 -1.26 -4.42 105.19 104.87 3ifq n GLY 712 Ca 0.16 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.75 3ifq n GLY 712 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3ifq h ASN 713 N 0.00 0.39 -0.87 1.61 -1.07 -1.95 -2.56 115.58 111.13 3ifq h ASN 713 Ca 0.00 0.00 0.23 0.00 0.07 0.00 0.00 56.30 56.60 3ifq h ASN 713 Cb 0.00 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.12 3ifq h ASN 713 CO 0.00 0.26 0.60 0.03 0.07 0.00 0.00 177.43 178.39 3ifq h ARG 714 N 0.45 0.16 -0.17 4.14 2.47 -1.99 -1.55 114.38 117.89 3ifq h ARG 714 Ca 0.23 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 3ifq h ARG 714 Cb 0.33 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3ifq h ARG 714 CO -0.06 0.10 0.00 1.19 0.56 0.00 0.00 179.97 181.76 3ifq n PHE 715 N -4.38 0.37 -0.11 3.04 3.01 -0.97 -4.65 117.46 113.77 3ifq n PHE 715 Ca 0.18 -0.69 -0.05 0.00 1.01 0.00 0.00 57.45 57.90 3ifq n PHE 715 Cb 0.83 -0.13 0.02 0.00 -0.01 0.00 0.00 39.48 40.20 3ifq n PHE 715 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3ifq h LYS 716 N 1.05 0.12 -0.83 -1.08 1.57 -1.27 0.13 116.57 116.27 3ifq h LYS 716 Ca 0.00 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 3ifq h LYS 716 Cb 0.90 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.12 3ifq h LYS 716 CO 0.05 0.08 0.55 0.87 -0.57 0.00 0.00 179.45 180.43 3ifq h LYS 717 N 0.13 0.47 0.00 3.15 1.79 -1.83 -1.20 116.57 119.08 3ifq h LYS 717 Ca 0.18 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3ifq h LYS 717 Cb 0.25 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3ifq h LYS 717 CO -0.29 0.31 -0.93 -0.07 -1.08 0.00 0.00 179.45 177.39 3ifq h LEU 718 N 0.48 0.00 0.10 2.94 3.38 -1.60 -3.29 115.31 117.33 3ifq h LEU 718 Ca 0.42 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 3ifq h LEU 718 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3ifq h LEU 718 CO -0.16 0.03 -0.05 0.00 0.09 0.00 0.00 178.44 178.35 3ifq h ALA 719 N 2.11 -0.14 0.00 1.53 0.00 0.44 -1.57 119.26 121.63 3ifq h ALA 719 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ifq h ALA 719 Cb 0.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ifq h ALA 719 CO 0.00 -0.28 0.00 -0.44 0.00 0.00 0.00 179.25 178.53 3ifq h ASP 720 N -0.72 0.00 0.00 0.00 3.32 -1.60 -3.20 116.42 114.22 3ifq h ASP 720 Ca -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 3ifq h ASP 720 Cb 0.55 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3ifq h ASP 720 CO 0.02 0.00 -1.02 -0.03 -1.72 0.00 0.00 179.24 176.49 3ifq h MET 721 N 0.00 0.00 0.00 3.56 4.05 -1.60 -3.47 114.93 117.47 3ifq h MET 721 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ifq h MET 721 Cb 0.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 3ifq h MET 721 CO 0.00 0.88 0.00 0.66 0.23 0.00 0.00 176.91 178.68 3ifq n TYR 722 N -4.48 0.00 -2.99 1.39 4.02 -0.60 -4.98 117.16 109.52 3ifq n TYR 722 Ca -0.27 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.21 3ifq n TYR 722 Cb 0.60 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.87 3ifq n TYR 722 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3ifq s GLY 723 N -0.03 1.76 0.00 2.72 0.00 -1.23 -4.94 107.32 105.60 3ifq s GLY 723 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.37 3ifq s GLY 723 CO 0.00 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.36 3ifq n GLY 724 N 4.05 1.38 0.00 0.20 0.00 -1.25 -4.51 105.19 105.07 3ifq n GLY 724 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3ifq n GLY 724 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93