#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8d s THR 676 N 0.00 2.16 0.82 2.61 -4.23 -1.26 -5.04 115.64 110.70 3h8d s THR 676 Ca 0.00 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.45 3h8d s THR 676 Cb 0.00 -2.70 0.09 0.00 1.34 0.00 0.00 72.50 71.23 3h8d s THR 676 CO 0.00 -0.07 1.09 -0.94 -0.54 0.00 0.00 174.62 174.16 3h8d s SER 677 N -3.79 4.20 0.32 3.99 1.04 -1.26 -4.86 113.70 113.34 3h8d s SER 677 Ca 0.64 1.42 0.07 0.00 0.48 0.00 0.00 55.95 58.55 3h8d s SER 677 Cb -0.16 -2.14 0.55 0.00 0.10 0.00 0.00 66.02 64.38 3h8d s SER 677 CO 0.55 -2.17 1.77 0.77 0.98 0.00 0.00 173.24 175.14 3h8d h SER 678 N -1.23 0.28 -0.49 7.02 4.64 -1.99 -1.25 113.55 120.54 3h8d h SER 678 Ca -0.47 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 3h8d h SER 678 Cb 1.27 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3h8d h SER 678 CO 0.57 0.57 0.20 0.00 -0.87 0.00 0.00 176.83 177.30 3h8d h ALA 679 N 1.45 0.63 -0.25 5.18 0.00 -1.98 -0.85 119.26 123.44 3h8d h ALA 679 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3h8d h ALA 679 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3h8d h ALA 679 CO 0.05 0.24 -0.11 0.35 0.00 0.00 0.00 179.25 179.78 3h8d h PHE 680 N 0.64 0.58 -0.86 0.00 3.57 -1.85 0.23 116.94 119.25 3h8d h PHE 680 Ca 0.16 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3h8d h PHE 680 Cb 0.19 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3h8d h PHE 680 CO 0.00 0.76 0.53 0.77 -2.23 0.00 0.00 178.31 178.15 3h8d h SER 681 N 0.23 0.85 0.08 0.41 0.02 -1.25 0.30 113.55 114.19 3h8d h SER 681 Ca 0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3h8d h SER 681 Cb 0.60 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3h8d h SER 681 CO 0.03 0.55 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.95 3h8d h SER 682 N 0.98 -0.09 -0.34 3.07 0.87 -1.08 -1.42 113.55 115.55 3h8d h SER 682 Ca 0.37 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.78 3h8d h SER 682 Cb 0.15 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.05 3h8d h SER 682 CO -0.16 0.17 -0.17 0.22 -0.53 0.00 0.00 176.83 176.36 3h8d h TYR 683 N -0.35 -0.41 -0.40 2.24 3.20 -0.59 -2.41 116.97 118.24 3h8d h TYR 683 Ca -0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3h8d h TYR 683 Cb 0.30 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3h8d h TYR 683 CO 0.01 -0.24 -0.02 0.35 -1.64 0.00 0.00 178.16 176.62 3h8d h PHE 684 N -0.11 0.79 -0.10 -3.82 3.57 -0.33 0.98 116.94 117.91 3h8d h PHE 684 Ca 0.17 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3h8d h PHE 684 Cb 0.38 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3h8d h PHE 684 CO -0.38 0.81 -0.43 -0.91 -2.23 0.00 0.00 178.31 175.16 3h8d h ASN 685 N 0.55 0.25 0.40 0.41 2.35 -1.26 0.16 115.58 118.43 3h8d h ASN 685 Ca 0.11 -0.11 -0.32 0.00 -0.55 0.00 0.00 56.30 55.44 3h8d h ASN 685 Cb 0.50 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 38.82 3h8d h ASN 685 CO 0.02 0.65 -1.46 0.78 -1.65 0.00 0.00 177.43 175.77 3h8d h ASN 686 N 0.19 0.61 0.07 5.81 2.35 -1.25 -3.38 115.58 119.98 3h8d h ASN 686 Ca 0.02 -0.71 -0.08 0.00 -0.55 0.00 0.00 56.30 54.97 3h8d h ASN 686 Cb 0.85 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3h8d h ASN 686 CO 0.07 1.57 -2.02 0.29 -1.65 0.00 0.00 177.43 175.69 3h8d n LYS 687 N -3.60 0.66 0.04 0.81 4.76 0.32 -4.90 118.16 116.26 3h8d n LYS 687 Ca -0.15 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.15 3h8d n LYS 687 Cb 1.07 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 3h8d n LYS 687 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3h8d n VAL 688 N -2.40 0.48 -3.82 -0.18 0.31 -0.16 -5.05 118.33 107.52 3h8d n VAL 688 Ca -0.10 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3h8d n VAL 688 Cb 0.70 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 3h8d n VAL 688 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h8d n GLY 689 N 2.92 -0.62 3.63 2.92 0.00 -0.14 -5.02 105.19 108.88 3h8d n GLY 689 Ca 0.00 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 3h8d n GLY 689 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8d s ILE 690 N -3.00 5.12 0.25 -0.61 1.01 -1.26 -3.75 121.20 118.96 3h8d s ILE 690 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 3h8d s ILE 690 Cb 0.00 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 3h8d s ILE 690 CO 0.00 0.14 1.24 -2.84 0.00 0.00 0.00 174.94 173.48 3h8d s PRO 691 N 1.99 4.46 0.30 2.79 0.02 -1.26 -5.04 135.00 138.26 3h8d s PRO 691 Ca 0.19 2.01 0.09 0.00 0.02 0.00 0.00 61.00 63.31 3h8d s PRO 691 Cb -0.15 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 3h8d s PRO 691 CO 0.09 -0.09 0.00 -0.65 -0.33 0.00 0.00 177.00 176.02 3h8d s GLN 692 N -0.91 2.18 0.35 5.54 -1.52 -1.26 -5.13 119.66 118.92 3h8d s GLN 692 Ca 0.51 -1.56 -0.26 0.00 -1.95 0.00 0.00 55.36 52.09 3h8d s GLN 692 Cb -0.36 -2.06 -0.09 0.00 -0.22 0.00 0.00 33.01 30.28 3h8d s GLN 692 CO 0.43 0.26 1.04 -1.83 -0.25 0.00 0.00 175.29 174.93 3h8d s GLU 693 N -3.69 4.40 -0.16 2.91 -1.05 -1.26 -5.05 118.70 114.80 3h8d s GLU 693 Ca 0.33 1.56 -0.16 0.00 -0.15 0.00 0.00 54.97 56.55 3h8d s GLU 693 Cb -0.04 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.81 3h8d s GLU 693 CO 0.20 0.06 0.39 -1.58 0.95 0.00 0.00 175.26 175.28 3h8d s HIS 694 N -1.49 3.45 -0.20 4.83 5.65 -1.26 -5.09 115.29 121.18 3h8d s HIS 694 Ca 0.52 0.70 -0.11 0.00 0.25 0.00 0.00 55.06 56.42 3h8d s HIS 694 Cb -0.24 -2.47 -0.05 0.00 -1.18 0.00 0.00 32.58 28.64 3h8d s HIS 694 CO 0.31 0.13 0.18 0.08 -0.65 0.00 0.00 174.74 174.79 3h8d s VAL 695 N 0.80 5.37 -0.39 0.89 1.01 -1.26 -5.05 120.40 121.77 3h8d s VAL 695 Ca 0.20 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3h8d s VAL 695 Cb -0.14 -3.52 0.11 0.00 0.00 0.00 0.00 36.38 32.83 3h8d s VAL 695 CO 0.07 0.39 0.14 -0.62 0.00 0.00 0.00 175.10 175.09 3h8d s ASP 696 N 0.60 4.27 0.39 3.32 -1.08 -1.26 -4.99 116.67 117.92 3h8d s ASP 696 Ca 0.10 -2.28 0.10 0.00 -0.52 0.00 0.00 52.55 49.95 3h8d s ASP 696 Cb -0.12 -1.32 0.88 0.00 -1.46 0.00 0.00 42.92 40.90 3h8d s ASP 696 CO 0.01 -0.34 1.95 0.45 0.52 0.00 0.00 175.17 177.77 3h8d h HIS 697 N 7.35 0.63 -0.03 -5.34 3.86 -1.99 -1.81 115.15 117.82 3h8d h HIS 697 Ca -0.07 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.03 3h8d h HIS 697 Cb 0.98 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 3h8d h HIS 697 CO 0.45 0.30 -0.59 -0.44 0.86 0.00 0.00 177.93 178.51 3h8d h ASP 698 N 0.59 0.13 -0.10 2.45 3.32 -1.98 0.91 116.42 121.74 3h8d h ASP 698 Ca 0.32 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3h8d h ASP 698 Cb 0.47 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3h8d h ASP 698 CO -0.11 0.69 -0.21 0.44 -1.72 0.00 0.00 179.24 178.33 3h8d h ASP 699 N 0.08 0.36 0.62 6.45 3.45 -1.91 -2.58 116.42 122.90 3h8d h ASP 699 Ca -0.01 -0.57 -0.03 0.00 0.43 0.00 0.00 57.03 56.86 3h8d h ASP 699 Cb 1.06 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 39.73 3h8d h ASP 699 CO 0.08 0.86 -0.30 0.15 -1.57 0.00 0.00 179.24 178.46 3h8d h PHE 700 N -0.13 -0.78 -0.78 4.55 3.57 -1.25 -2.43 116.94 119.69 3h8d h PHE 700 Ca 0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3h8d h PHE 700 Cb 0.80 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 3h8d h PHE 700 CO 0.11 -0.46 0.42 -0.44 -2.23 0.00 0.00 178.31 175.71 3h8d h ASP 701 N -0.91 0.99 -0.72 0.41 3.32 -0.95 -0.32 116.42 118.25 3h8d h ASP 701 Ca -0.09 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3h8d h ASP 701 Cb 0.67 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3h8d h ASP 701 CO 0.14 0.81 0.45 0.00 -1.72 0.00 0.00 179.24 178.92 3h8d h ALA 702 N 1.22 0.91 -0.32 3.45 0.00 -1.50 -1.17 119.26 121.85 3h8d h ALA 702 Ca 0.27 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 3h8d h ALA 702 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3h8d h ALA 702 CO -0.04 0.37 -0.39 -0.91 0.00 0.00 0.00 179.25 178.27 3h8d h ASN 703 N 0.98 0.82 -0.52 0.00 2.35 -1.17 -1.96 115.58 116.07 3h8d h ASN 703 Ca 0.26 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3h8d h ASN 703 Cb -0.06 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 3h8d h ASN 703 CO -0.05 1.11 0.34 1.56 -1.65 0.00 0.00 177.43 178.75 3h8d h GLN 704 N 0.63 0.68 -0.43 0.81 1.08 -0.88 -1.20 115.11 115.81 3h8d h GLN 704 Ca 0.05 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3h8d h GLN 704 Cb 0.94 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 3h8d h GLN 704 CO 0.09 0.45 0.23 1.25 -0.95 0.00 0.00 178.83 179.90 3h8d h LEU 705 N 0.70 0.34 -1.21 1.46 5.85 -1.16 -2.59 115.31 118.71 3h8d h LEU 705 Ca 0.19 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 3h8d h LEU 705 Cb -0.08 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3h8d h LEU 705 CO -0.04 0.25 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.06 3h8d h LEU 706 N 0.46 0.32 -1.18 2.25 3.38 -1.17 -1.23 115.31 118.14 3h8d h LEU 706 Ca 0.18 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3h8d h LEU 706 Cb 0.06 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3h8d h LEU 706 CO -0.11 0.52 0.56 0.78 0.09 0.00 0.00 178.44 180.28 3h8d h ASN 707 N 0.31 0.93 -0.04 -0.43 2.35 -0.85 -0.64 115.58 117.21 3h8d h ASN 707 Ca 0.06 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3h8d h ASN 707 Cb 0.50 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3h8d h ASN 707 CO 0.03 0.64 -0.11 0.11 -1.65 0.00 0.00 177.43 176.46 3h8d h LYS 708 N 1.08 0.15 -0.89 0.81 1.57 -1.11 -2.94 116.57 115.24 3h8d h LYS 708 Ca 0.34 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 59.08 3h8d h LYS 708 Cb 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 3h8d h LYS 708 CO -0.10 0.71 0.56 0.82 -0.57 0.00 0.00 179.45 180.88 3h8d h ILE 709 N -0.40 1.06 -0.16 1.86 2.04 -1.09 -2.92 117.51 117.90 3h8d h ILE 709 Ca -0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3h8d h ILE 709 Cb 0.72 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3h8d h ILE 709 CO 0.02 0.19 0.00 0.59 0.00 0.00 0.00 178.15 178.95 3h8d n ASN 710 N -4.59 1.95 0.00 1.72 3.02 -0.26 -5.10 115.26 112.00 3h8d n ASN 710 Ca 0.13 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 3h8d n ASN 710 Cb 0.17 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3h8d n ASN 710 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85