#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pip h PRO 671 N 0.00 0.00 -0.06 2.61 0.11 -2.05 -3.44 132.00 129.17 2pip h PRO 671 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2pip h PRO 671 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2pip h PRO 671 CO 0.00 0.05 -0.53 0.82 -0.21 0.00 0.00 178.00 178.12 2pip h ILE 672 N 0.00 0.00 0.14 4.15 1.08 -2.06 0.14 117.51 120.96 2pip h ILE 672 Ca -0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2pip h ILE 672 Cb 0.09 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.81 2pip h ILE 672 CO 0.01 0.00 -0.26 0.15 -0.69 0.00 0.00 178.15 177.36 2pip h PHE 673 N -0.63 -0.70 -0.92 1.37 3.57 -2.01 -2.39 116.94 115.24 2pip h PHE 673 Ca 0.02 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2pip h PHE 673 Cb 0.70 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 2pip h PHE 673 CO -0.55 -0.37 0.58 -0.07 -2.23 0.00 0.00 178.31 175.67 2pip h LEU 674 N -0.48 0.91 -0.09 0.59 3.38 -1.87 -2.54 115.31 115.20 2pip h LEU 674 Ca 0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2pip h LEU 674 Cb 0.50 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2pip h LEU 674 CO -0.13 0.57 -0.06 0.78 0.09 0.00 0.00 178.44 179.69 2pip h ASN 675 N 1.04 -0.20 0.51 -0.43 2.35 -0.35 -2.28 115.58 116.22 2pip h ASN 675 Ca 0.40 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.18 2pip h ASN 675 Cb 0.19 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2pip h ASN 675 CO -0.18 -0.09 -0.47 0.58 -1.65 0.00 0.00 177.43 175.62 2pip h VAL 676 N -0.07 0.08 -0.67 2.81 2.07 -1.04 0.12 116.25 119.54 2pip h VAL 676 Ca 0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 2pip h VAL 676 Cb 0.15 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 29.90 2pip h VAL 676 CO -0.13 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.49 2pip h LEU 677 N -0.97 -0.11 -0.96 2.57 3.38 -1.43 0.18 115.31 117.98 2pip h LEU 677 Ca -0.06 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2pip h LEU 677 Cb 0.84 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2pip h LEU 677 CO -0.04 -0.06 0.09 -0.33 0.09 0.00 0.00 178.44 178.19 2pip h GLU 678 N 0.21 0.85 -0.00 1.13 5.08 -1.23 -1.95 114.58 118.67 2pip h GLU 678 Ca 0.37 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 2pip h GLU 678 Cb 0.61 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2pip h GLU 678 CO -0.51 0.79 -0.62 0.00 -1.00 0.00 0.00 179.01 177.67 2pip h ALA 679 N 1.29 0.97 -0.01 3.43 0.00 0.13 -3.21 119.26 121.85 2pip h ALA 679 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2pip h ALA 679 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pip h ALA 679 CO 0.01 0.78 -0.34 0.44 0.00 0.00 0.00 179.25 180.13 2pip n ILE 680 N -3.80 0.00 -1.68 0.00 -5.35 0.36 -4.94 119.36 103.95 2pip n ILE 680 Ca -0.01 -0.22 -0.48 0.00 -0.27 0.00 0.00 62.75 61.76 2pip n ILE 680 Cb 0.62 0.90 -0.05 0.00 -1.74 0.00 0.00 39.64 39.37 2pip n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2pip n GLU 681 N -0.17 2.15 -1.54 6.28 4.07 -0.76 -4.83 120.64 125.84 2pip n GLU 681 Ca 0.11 0.79 -0.38 0.00 -0.06 0.00 0.00 57.16 57.62 2pip n GLU 681 Cb 0.42 -2.62 0.05 0.00 -0.06 0.00 0.00 31.44 29.23 2pip n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2pip n PRO 682 N 6.33 0.69 -0.52 5.31 -0.02 -1.26 -5.03 135.00 140.50 2pip n PRO 682 Ca 0.22 0.27 -0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2pip n PRO 682 Cb 0.29 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 2pip n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pip n GLY 683 N 1.51 -0.38 3.72 -1.23 0.00 -1.26 -5.01 105.19 102.55 2pip n GLY 683 Ca 0.13 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2pip n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pip s VAL 684 N -0.91 3.23 -0.14 1.61 1.01 -1.26 -5.02 120.40 118.92 2pip s VAL 684 Ca 0.10 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.02 2pip s VAL 684 Cb -0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2pip s VAL 684 CO 0.07 0.09 -0.20 -0.69 0.00 0.00 0.00 175.10 174.37 2pip s VAL 685 N 0.76 2.19 0.42 2.92 1.01 -1.26 -5.12 120.40 121.32 2pip s VAL 685 Ca 0.62 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2pip s VAL 685 Cb -0.37 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2pip s VAL 685 CO 0.33 0.54 0.73 0.00 0.00 0.00 0.00 175.10 176.70 2pip n ALA 687 N -1.74 1.60 -0.60 0.00 0.00 -1.26 -4.79 120.51 113.73 2pip n ALA 687 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2pip n ALA 687 Cb 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2pip n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pip n GLY 688 N 1.64 0.66 3.77 0.00 0.00 -1.26 -4.33 105.19 105.66 2pip n GLY 688 Ca -0.25 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 2pip n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pip s HIS 689 N -2.00 2.69 -0.86 1.61 5.04 -1.26 -4.98 115.29 115.52 2pip s HIS 689 Ca 0.00 1.51 -0.13 0.00 -1.54 0.00 0.00 55.06 54.90 2pip s HIS 689 Cb 0.00 -3.43 0.23 0.00 0.04 0.00 0.00 32.58 29.42 2pip s HIS 689 CO 0.00 -1.79 0.81 0.34 -2.34 0.00 0.00 174.74 171.76 2pip s ASP 690 N -1.43 6.82 0.00 9.88 -1.08 -1.26 -4.89 116.67 124.70 2pip s ASP 690 Ca 0.69 -2.82 0.10 0.00 -0.52 0.00 0.00 52.55 49.99 2pip s ASP 690 Cb -0.29 -2.20 0.57 0.00 -1.46 0.00 0.00 42.92 39.54 2pip s ASP 690 CO 0.34 -0.53 1.00 0.59 0.52 0.00 0.00 175.17 177.09 2pip n ASN 691 N 3.78 0.00 0.01 -0.34 3.02 -1.26 -2.30 115.26 118.17 2pip n ASN 691 Ca 0.15 -0.43 -0.10 0.00 -0.03 0.00 0.00 54.58 54.17 2pip n ASN 691 Cb 0.46 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.49 2pip n ASN 691 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2pip h ASN 692 N 0.00 0.07 -3.74 6.41 2.35 -2.01 -3.46 115.58 115.19 2pip h ASN 692 Ca 0.00 -0.12 -0.49 0.00 -0.55 0.00 0.00 56.30 55.13 2pip h ASN 692 Cb 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2pip h ASN 692 CO 0.00 1.11 0.29 -1.10 -1.65 0.00 0.00 177.43 176.08 2pip s GLN 693 N -2.62 4.64 0.51 0.81 -1.52 -0.97 -5.01 119.66 115.49 2pip s GLN 693 Ca -0.05 1.30 -0.21 0.00 -1.95 0.00 0.00 55.36 54.45 2pip s GLN 693 Cb 0.08 -3.05 -0.08 0.00 -0.22 0.00 0.00 33.01 29.75 2pip s GLN 693 CO 0.82 0.42 1.01 -2.30 -0.25 0.00 0.00 175.29 175.00 2pip n PRO 694 N 1.07 1.19 -1.89 2.91 -0.02 -1.26 -4.91 135.00 132.10 2pip n PRO 694 Ca -0.01 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 2pip n PRO 694 Cb 0.49 -2.14 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 2pip n PRO 694 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pip s ASP 695 N -0.97 5.11 -0.04 2.55 1.01 -1.26 -5.03 116.67 118.05 2pip s ASP 695 Ca 0.69 2.56 -0.30 0.00 0.71 0.00 0.00 52.55 56.21 2pip s ASP 695 Cb -0.48 -2.62 0.08 0.00 1.01 0.00 0.00 42.92 40.91 2pip s ASP 695 CO 0.52 -1.66 0.70 -0.94 0.21 0.00 0.00 175.17 174.00 2pip s SER 696 N -1.33 -0.62 0.14 0.27 1.04 -1.26 -5.06 113.70 106.88 2pip s SER 696 Ca 0.76 0.60 -0.22 0.00 0.48 0.00 0.00 55.95 57.57 2pip s SER 696 Cb -0.35 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 2pip s SER 696 CO 0.39 -0.63 1.65 0.15 0.98 0.00 0.00 173.24 175.79 2pip h PHE 697 N 2.84 -0.50 -0.11 5.02 3.57 -1.97 -0.40 116.94 125.40 2pip h PHE 697 Ca -0.27 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.30 2pip h PHE 697 Cb 1.16 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 40.10 2pip h PHE 697 CO 0.35 -0.27 -0.20 0.00 -2.23 0.00 0.00 178.31 175.96 2pip h ALA 698 N 0.82 -0.17 -0.08 2.41 0.00 -1.84 -1.35 119.26 119.05 2pip h ALA 698 Ca 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pip h ALA 698 Cb 0.39 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2pip h ALA 698 CO -0.30 -0.66 0.03 0.00 0.00 0.00 0.00 179.25 178.32 2pip h ALA 699 N 0.72 0.10 0.26 0.00 0.00 -1.81 -1.15 119.26 117.38 2pip h ALA 699 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pip h ALA 699 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2pip h ALA 699 CO -0.26 -0.32 -0.13 -0.07 0.00 0.00 0.00 179.25 178.47 2pip h LEU 700 N -0.03 -0.30 -0.48 0.00 3.38 -0.99 -1.64 115.31 115.26 2pip h LEU 700 Ca 0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2pip h LEU 700 Cb 0.16 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2pip h LEU 700 CO -0.00 -0.17 0.13 -0.07 0.09 0.00 0.00 178.44 178.42 2pip h LEU 701 N -0.40 0.71 -0.91 1.67 -0.00 -1.32 -1.23 115.31 113.83 2pip h LEU 701 Ca -0.04 -0.22 0.08 0.00 -0.00 0.00 0.00 57.88 57.70 2pip h LEU 701 Cb 0.31 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 40.71 2pip h LEU 701 CO 0.06 0.74 0.56 0.28 -0.00 0.00 0.00 178.44 180.08 2pip h SER 702 N 0.64 0.86 -0.50 -0.43 0.02 -1.18 -0.15 113.55 112.82 2pip h SER 702 Ca 0.15 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2pip h SER 702 Cb 0.30 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2pip h SER 702 CO -0.00 0.52 0.09 0.28 -1.14 0.00 0.00 176.83 176.58 2pip h SER 703 N 0.98 0.78 -0.83 3.07 0.02 -0.93 -0.69 113.55 115.95 2pip h SER 703 Ca 0.41 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2pip h SER 703 Cb 0.26 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 2pip h SER 703 CO -0.20 0.84 0.54 -0.07 -1.14 0.00 0.00 176.83 176.79 2pip h LEU 704 N 0.69 0.91 -0.19 5.07 3.38 -0.58 -0.55 115.31 124.04 2pip h LEU 704 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2pip h LEU 704 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pip h LEU 704 CO 0.01 0.64 0.07 0.78 0.09 0.00 0.00 178.44 180.03 2pip h ASN 705 N 1.07 0.26 0.27 -0.43 2.35 -0.58 -1.01 115.58 117.50 2pip h ASN 705 Ca 0.32 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2pip h ASN 705 Cb -0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2pip h ASN 705 CO -0.09 0.35 -0.19 -0.08 -1.65 0.00 0.00 177.43 175.77 2pip h GLU 706 N 0.15 -0.43 -0.99 0.81 4.57 -0.88 -1.05 114.58 116.75 2pip h GLU 706 Ca 0.06 0.03 0.22 0.00 -1.18 0.00 0.00 59.36 58.49 2pip h GLU 706 Cb 0.17 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 28.76 2pip h GLU 706 CO -0.01 -0.29 0.62 1.25 -1.18 0.00 0.00 179.01 179.41 2pip h LEU 707 N -0.45 0.63 -0.36 1.64 5.85 -1.01 0.92 115.31 122.53 2pip h LEU 707 Ca -0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2pip h LEU 707 Cb 0.39 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2pip h LEU 707 CO 0.01 0.19 0.21 1.23 -0.34 0.00 0.00 178.44 179.74 2pip h GLY 708 N 0.60 0.54 0.80 3.75 0.00 0.05 -0.11 103.07 108.70 2pip h GLY 708 Ca 0.57 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 2pip h GLY 708 CO -0.34 0.23 -0.47 -2.09 0.00 0.00 0.00 176.54 173.87 2pip h GLU 709 N 0.46 -1.14 -0.71 4.80 4.57 0.11 0.10 114.58 122.79 2pip h GLU 709 Ca 0.13 0.08 0.16 0.00 -1.18 0.00 0.00 59.36 58.54 2pip h GLU 709 Cb 0.04 0.26 -0.11 0.00 -0.16 0.00 0.00 28.75 28.77 2pip h GLU 709 CO -0.02 -0.76 0.09 0.00 -1.18 0.00 0.00 179.01 177.14 2pip h ARG 710 N -1.18 0.18 -0.54 1.92 3.08 -1.18 -0.25 114.38 116.40 2pip h ARG 710 Ca -0.11 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 2pip h ARG 710 Cb 0.93 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 2pip h ARG 710 CO 0.13 0.12 0.12 1.96 -1.07 0.00 0.00 179.97 181.23 2pip h GLN 711 N 0.19 0.88 -0.98 0.04 1.08 -0.88 -2.75 115.11 112.69 2pip h GLN 711 Ca 0.39 -0.22 0.20 0.00 -1.45 0.00 0.00 58.65 57.57 2pip h GLN 711 Cb 0.67 -0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.90 2pip h GLN 711 CO -0.55 0.84 0.62 1.25 -0.95 0.00 0.00 178.83 180.03 2pip h LEU 712 N 0.77 0.66 -0.56 1.46 5.85 0.10 0.10 115.31 123.70 2pip h LEU 712 Ca 0.17 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 2pip h LEU 712 Cb 0.36 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2pip h LEU 712 CO 0.00 0.24 0.07 0.58 -0.34 0.00 0.00 178.44 178.99 2pip h VAL 713 N 0.64 1.26 -0.06 1.05 2.07 -1.16 -1.36 116.25 118.69 2pip h VAL 713 Ca 0.55 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 2pip h VAL 713 Cb 1.02 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2pip h VAL 713 CO -0.31 0.37 -0.48 0.45 0.02 0.00 0.00 177.57 177.61 2pip h HIS 714 N 0.84 0.19 -0.38 1.57 3.86 -0.84 -2.73 115.15 117.65 2pip h HIS 714 Ca 0.17 -0.06 -0.16 0.00 -1.16 0.00 0.00 60.37 59.16 2pip h HIS 714 Cb 0.45 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2pip h HIS 714 CO 0.03 0.61 -0.39 0.28 0.86 0.00 0.00 177.93 179.32 2pip h VAL 715 N 0.13 1.27 -0.40 2.45 2.07 -0.65 -0.76 116.25 120.36 2pip h VAL 715 Ca 0.01 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2pip h VAL 715 Cb 0.90 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2pip h VAL 715 CO 0.07 0.53 0.17 0.58 0.02 0.00 0.00 177.57 178.93 2pip h VAL 716 N 0.77 1.19 -0.27 2.57 2.07 -1.12 0.65 116.25 122.11 2pip h VAL 716 Ca 0.06 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 2pip h VAL 716 Cb 0.99 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2pip h VAL 716 CO 0.10 0.21 -0.40 0.11 0.02 0.00 0.00 177.57 177.61 2pip h LYS 717 N 0.50 0.63 0.80 1.57 1.57 -1.49 -0.96 116.57 119.18 2pip h LYS 717 Ca 0.13 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 2pip h LYS 717 Cb 0.17 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.50 2pip h LYS 717 CO -0.01 0.92 -0.38 2.35 -0.57 0.00 0.00 179.45 181.75 2pip h TRP 718 N 0.52 -0.99 -0.99 -1.35 7.01 -0.90 -3.02 115.95 116.23 2pip h TRP 718 Ca 0.04 -0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.18 2pip h TRP 718 Cb 0.91 0.33 -0.10 0.00 -2.10 0.00 0.00 29.16 28.20 2pip h TRP 718 CO 0.04 -0.62 0.60 0.00 -2.79 0.00 0.00 178.44 175.67 2pip h ALA 719 N -1.42 1.57 -0.07 2.65 0.00 -0.90 -0.26 119.26 120.83 2pip h ALA 719 Ca -0.11 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2pip h ALA 719 Cb 0.82 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2pip h ALA 719 CO 0.18 0.04 -0.03 1.63 0.00 0.00 0.00 179.25 181.06 2pip n LYS 720 N -4.73 1.39 0.00 0.00 5.02 -0.37 -2.14 118.16 117.34 2pip n LYS 720 Ca 0.21 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 2pip n LYS 720 Cb 0.49 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2pip n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pip n ALA 721 N 1.59 0.00 -1.77 7.82 0.00 -0.13 -4.92 120.51 123.11 2pip n ALA 721 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 2pip n ALA 721 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 2pip n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pip s LEU 722 N 0.00 4.34 0.06 0.00 1.43 -0.91 -4.94 118.68 118.66 2pip s LEU 722 Ca 0.00 2.40 -0.35 0.00 -1.03 0.00 0.00 54.13 55.15 2pip s LEU 722 Cb 0.00 -3.83 -0.14 0.00 0.03 0.00 0.00 46.19 42.25 2pip s LEU 722 CO 0.00 -0.50 1.64 -2.65 0.23 0.00 0.00 176.35 175.07 2pip n PRO 723 N 0.53 1.96 -0.87 1.29 -0.02 -1.26 -1.90 135.00 134.73 2pip n PRO 723 Ca 0.02 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2pip n PRO 723 Cb 0.45 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2pip n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pip n GLY 724 N 3.60 0.37 0.25 -1.23 0.00 -1.26 -4.86 105.19 102.07 2pip n GLY 724 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2pip n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pip h PHE 725 N 0.00 0.13 0.00 1.61 3.57 -1.69 -0.56 116.94 120.00 2pip h PHE 725 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2pip h PHE 725 Cb 0.25 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2pip h PHE 725 CO 0.16 0.19 0.00 0.54 -2.23 0.00 0.00 178.31 176.97 2pip n ARG 726 N -4.40 0.98 0.01 1.11 1.74 -1.26 -2.35 116.66 112.50 2pip n ARG 726 Ca -0.01 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.20 2pip n ARG 726 Cb 0.17 -1.20 0.42 0.00 -1.02 0.00 0.00 32.46 30.83 2pip n ARG 726 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pip n ASN 727 N -0.70 0.32 -4.86 0.55 3.02 -0.22 -4.83 115.26 108.55 2pip n ASN 727 Ca 0.10 0.19 -0.32 0.00 -0.03 0.00 0.00 54.58 54.51 2pip n ASN 727 Cb 0.04 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 2pip n ASN 727 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pip s LEU 728 N -3.24 4.07 0.53 3.41 1.43 -0.99 -4.87 118.68 119.03 2pip s LEU 728 Ca 0.12 1.20 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 2pip s LEU 728 Cb 0.17 -4.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2pip s LEU 728 CO 0.62 -0.19 1.34 -2.28 0.23 0.00 0.00 176.35 176.06 2pip s HIS 729 N -1.98 2.35 0.42 0.29 5.65 -1.26 -4.75 115.29 116.02 2pip s HIS 729 Ca 0.53 1.39 0.17 0.00 0.25 0.00 0.00 55.06 57.40 2pip s HIS 729 Cb -0.10 -3.75 1.08 0.00 -1.18 0.00 0.00 32.58 28.63 2pip s HIS 729 CO 0.19 -2.74 1.87 -0.24 -0.65 0.00 0.00 174.74 173.17 2pip h VAL 730 N 1.50 0.70 0.02 0.89 3.04 -1.95 0.84 116.25 121.29 2pip h VAL 730 Ca -0.51 -0.14 -0.21 0.00 -1.01 0.00 0.00 66.70 64.84 2pip h VAL 730 Cb 1.29 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 2pip h VAL 730 CO 0.58 0.07 -0.92 0.44 -1.01 0.00 0.00 177.57 176.73 2pip h ASP 731 N 0.40 0.26 0.91 3.17 3.32 -2.01 -3.11 116.42 119.37 2pip h ASP 731 Ca 0.45 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 2pip h ASP 731 Cb 1.11 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 2pip h ASP 731 CO -0.16 1.05 -0.61 0.44 -1.72 0.00 0.00 179.24 178.24 2pip h ASP 732 N 0.10 0.00 -0.24 6.45 3.32 -1.47 -2.13 116.42 122.45 2pip h ASP 732 Ca -0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2pip h ASP 732 Cb 1.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.11 2pip h ASP 732 CO 0.14 0.61 0.14 1.56 -1.72 0.00 0.00 179.24 179.98 2pip h GLN 733 N 0.00 0.33 -0.40 3.56 4.20 -0.87 -1.08 115.11 120.84 2pip h GLN 733 Ca -0.01 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2pip h GLN 733 Cb 1.24 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 2pip h GLN 733 CO 0.08 0.27 -0.23 1.98 -0.67 0.00 0.00 178.83 180.26 2pip h MET 734 N 0.29 0.81 0.26 1.46 4.05 -1.51 -3.14 114.93 117.16 2pip h MET 734 Ca 0.09 -0.33 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2pip h MET 734 Cb 0.03 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2pip h MET 734 CO -0.02 0.96 -0.16 0.00 0.23 0.00 0.00 176.91 177.93 2pip h ALA 735 N 1.03 -0.39 -0.61 0.39 0.00 -0.97 -0.38 119.26 118.34 2pip h ALA 735 Ca 0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pip h ALA 735 Cb 0.75 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2pip h ALA 735 CO 0.06 -0.73 0.37 -0.39 0.00 0.00 0.00 179.25 178.56 2pip h VAL 736 N -0.40 1.08 -0.12 0.00 -1.51 -1.28 -1.62 116.25 112.40 2pip h VAL 736 Ca -0.03 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 2pip h VAL 736 Cb 0.33 0.28 -0.00 0.00 -2.13 0.00 0.00 31.29 29.76 2pip h VAL 736 CO 0.03 0.13 0.03 0.40 -1.23 0.00 0.00 177.57 176.94 2pip h ILE 737 N 0.74 1.19 0.00 7.19 2.04 -1.48 -1.27 117.51 125.91 2pip h ILE 737 Ca 0.24 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2pip h ILE 737 Cb 0.01 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2pip h ILE 737 CO -0.10 0.17 -0.03 1.56 0.00 0.00 0.00 178.15 179.75 2pip h GLN 738 N -0.00 0.00 0.02 2.37 4.20 -0.78 -1.46 115.11 119.46 2pip h GLN 738 Ca 0.04 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.39 2pip h GLN 738 Cb 0.23 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 2pip h GLN 738 CO -0.00 0.03 -2.18 0.66 -0.67 0.00 0.00 178.83 176.67 2pip n TYR 739 N -3.50 0.46 1.09 2.96 4.01 -0.63 -4.54 117.16 117.01 2pip n TYR 739 Ca -0.02 0.13 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 2pip n TYR 739 Cb 0.14 -1.07 0.14 0.00 -0.31 0.00 0.00 39.34 38.24 2pip n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2pip n SER 740 N -3.08 2.11 -0.20 7.72 3.41 -0.49 -4.57 113.62 118.52 2pip n SER 740 Ca -0.32 -1.57 0.01 0.00 -0.26 0.00 0.00 58.87 56.73 2pip n SER 740 Cb 1.07 0.23 0.10 0.00 -0.26 0.00 0.00 64.21 65.35 2pip n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2pip h TRP 741 N 2.93 -0.05 0.33 7.33 5.08 -1.49 -1.14 115.95 128.93 2pip h TRP 741 Ca 0.00 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.02 2pip h TRP 741 Cb 0.76 0.12 -0.03 0.00 -3.00 0.00 0.00 29.16 27.01 2pip h TRP 741 CO 0.00 -0.17 -0.44 1.98 -1.28 0.00 0.00 178.44 178.53 2pip h MET 742 N 0.11 -0.79 -0.60 0.12 4.05 -1.87 0.03 114.93 115.97 2pip h MET 742 Ca 0.32 0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.88 2pip h MET 742 Cb 0.51 0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 31.42 2pip h MET 742 CO -0.52 -0.53 0.24 0.78 0.23 0.00 0.00 176.91 177.11 2pip h GLY 743 N -0.82 0.85 0.75 1.39 0.00 -1.76 -1.31 103.07 102.18 2pip h GLY 743 Ca -0.02 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.22 2pip h GLY 743 CO -0.13 0.00 0.50 1.41 0.00 0.00 0.00 176.54 178.32 2pip h LEU 744 N 0.44 0.79 -0.57 3.11 3.38 -0.83 -0.91 115.31 120.71 2pip h LEU 744 Ca 0.30 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.13 2pip h LEU 744 Cb 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2pip h LEU 744 CO -0.28 0.51 -0.60 0.24 0.09 0.00 0.00 178.44 178.39 2pip h MET 745 N 0.92 0.37 -0.10 1.13 2.86 -0.54 -2.44 114.93 117.13 2pip h MET 745 Ca 0.35 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2pip h MET 745 Cb 0.13 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2pip h MET 745 CO -0.16 0.86 -0.22 0.28 1.06 0.00 0.00 176.91 178.73 2pip h VAL 746 N 0.28 1.39 -0.75 -2.22 2.07 -1.00 -0.41 116.25 115.61 2pip h VAL 746 Ca -0.01 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 2pip h VAL 746 Cb 1.13 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 2pip h VAL 746 CO 0.10 0.44 0.37 0.15 0.02 0.00 0.00 177.57 178.65 2pip h PHE 747 N -0.10 1.05 -0.06 1.57 3.57 -1.20 0.14 116.94 121.91 2pip h PHE 747 Ca 0.00 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.30 2pip h PHE 747 Cb 0.82 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2pip h PHE 747 CO 0.11 0.75 -0.68 0.00 -2.23 0.00 0.00 178.31 176.26 2pip h ALA 748 N 1.35 0.74 -0.13 2.41 0.00 -1.43 -2.51 119.26 119.69 2pip h ALA 748 Ca 0.26 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 2pip h ALA 748 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2pip h ALA 748 CO -0.04 0.78 -0.62 1.98 0.00 0.00 0.00 179.25 181.35 2pip h MET 749 N 0.18 0.47 -0.02 0.00 1.85 -0.29 -2.42 114.93 114.69 2pip h MET 749 Ca -0.02 -0.33 -0.12 0.00 -0.61 0.00 0.00 59.70 58.63 2pip h MET 749 Cb 1.22 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.29 2pip h MET 749 CO 0.11 0.94 -0.54 0.78 -0.40 0.00 0.00 176.91 177.80 2pip h GLY 750 N 1.17 0.05 1.25 1.39 0.00 -0.64 -2.21 103.07 104.07 2pip h GLY 750 Ca -0.01 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 2pip h GLY 750 CO 0.11 0.05 -0.62 -0.25 0.00 0.00 0.00 176.54 175.84 2pip h TRP 751 N 0.04 0.99 -0.52 5.60 2.91 -1.24 -2.67 115.95 121.06 2pip h TRP 751 Ca -0.00 -0.38 -0.08 0.00 1.13 0.00 0.00 58.89 59.56 2pip h TRP 751 Cb 0.96 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.42 2pip h TRP 751 CO 0.00 1.19 0.01 0.00 -1.03 0.00 0.00 178.44 178.61 2pip h ARG 752 N 0.57 0.91 -0.80 2.65 3.08 -1.19 -2.32 114.38 117.29 2pip h ARG 752 Ca -0.01 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 2pip h ARG 752 Cb 1.22 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 2pip h ARG 752 CO 0.13 0.93 0.40 0.77 -1.07 0.00 0.00 179.97 181.13 2pip h SER 753 N 0.78 1.01 -0.32 7.04 0.02 -1.38 0.12 113.55 120.83 2pip h SER 753 Ca 0.15 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 2pip h SER 753 Cb 0.51 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2pip h SER 753 CO 0.02 0.84 -0.25 0.15 -1.14 0.00 0.00 176.83 176.45 2pip h PHE 754 N 1.12 0.87 0.05 3.45 3.57 -1.27 0.12 116.94 124.85 2pip h PHE 754 Ca 0.28 -0.25 -0.24 0.00 3.53 0.00 0.00 57.97 61.30 2pip h PHE 754 Cb 0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2pip h PHE 754 CO 0.01 0.99 -1.10 1.79 -2.23 0.00 0.00 178.31 177.77 2pip h THR 755 N 0.50 1.63 0.05 4.41 1.35 -1.18 -2.31 112.91 117.36 2pip h THR 755 Ca 0.06 -3.28 -0.33 0.00 -0.55 0.00 0.00 66.41 62.30 2pip h THR 755 Cb 0.81 2.88 -0.04 0.00 -1.73 0.00 0.00 68.15 70.08 2pip h THR 755 CO 0.07 0.94 -1.90 0.59 -0.25 0.00 0.00 175.52 174.97 2pip n ASN 756 N -3.42 1.42 -1.27 5.36 3.02 0.40 -4.66 115.26 116.12 2pip n ASN 756 Ca -0.03 0.28 0.03 0.00 -0.03 0.00 0.00 54.58 54.83 2pip n ASN 756 Cb 0.97 -0.37 0.01 0.00 -0.61 0.00 0.00 39.78 39.79 2pip n ASN 756 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2pip n VAL 757 N -3.23 0.00 -4.24 2.41 0.24 -0.69 -5.03 118.33 107.79 2pip n VAL 757 Ca -0.25 -0.76 -0.32 0.00 -2.04 0.00 0.00 64.34 60.97 2pip n VAL 757 Cb 1.05 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 34.22 2pip n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pip n ASN 758 N 0.38 0.12 0.00 -1.34 5.15 -0.74 -0.61 115.26 118.22 2pip n ASN 758 Ca 0.04 -1.25 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 2pip n ASN 758 Cb 1.04 -1.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 2pip n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2pip n SER 759 N -2.80 -2.86 -0.14 1.20 7.64 -0.06 -4.82 113.62 111.78 2pip n SER 759 Ca -0.30 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.61 2pip n SER 759 Cb 0.68 -2.80 0.33 0.00 -1.01 0.00 0.00 64.21 61.41 2pip n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2pip h ARG 760 N 0.14 0.78 -4.03 1.43 2.47 -1.09 -3.44 114.38 110.64 2pip h ARG 760 Ca 0.00 -0.05 -0.11 0.00 -1.26 0.00 0.00 59.98 58.56 2pip h ARG 760 Cb 0.46 -0.18 -0.14 0.00 -1.65 0.00 0.00 29.97 28.46 2pip h ARG 760 CO 0.00 0.51 -0.50 -1.64 0.56 0.00 0.00 179.97 178.90 2pip s MET 761 N -5.69 0.80 -0.46 0.04 -1.94 -1.26 -4.92 119.30 105.87 2pip s MET 761 Ca -0.10 -1.12 -0.28 0.00 -1.71 0.00 0.00 55.69 52.48 2pip s MET 761 Cb 0.18 0.29 0.03 0.00 2.01 0.00 0.00 34.83 37.34 2pip s MET 761 CO 0.76 -0.22 1.10 -0.51 -0.01 0.00 0.00 175.02 176.14 2pip s LEU 762 N -2.91 3.72 -1.30 -0.03 1.43 -1.05 -4.73 118.68 113.82 2pip s LEU 762 Ca 0.09 0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 2pip s LEU 762 Cb 0.06 -3.49 0.14 0.00 0.03 0.00 0.00 46.19 42.93 2pip s LEU 762 CO -0.08 -1.18 1.84 0.00 0.23 0.00 0.00 176.35 177.15 2pip n TYR 763 N 7.64 3.57 -0.14 0.29 4.19 -1.26 -1.53 117.16 129.91 2pip n TYR 763 Ca 0.11 -2.94 -0.07 0.00 3.31 0.00 0.00 57.90 58.31 2pip n TYR 763 Cb 0.49 -2.15 0.02 0.00 0.49 0.00 0.00 39.34 38.18 2pip n TYR 763 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2pip h PHE 764 N 6.19 0.52 -2.61 2.98 0.04 -1.82 -3.42 116.94 118.82 2pip h PHE 764 Ca 0.41 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.26 2pip h PHE 764 Cb 0.70 -0.17 -0.12 0.00 2.20 0.00 0.00 35.95 38.55 2pip h PHE 764 CO 1.27 0.31 0.37 0.00 -0.60 0.00 0.00 178.31 179.66 2pip s ALA 765 N -6.15 -1.67 0.36 2.45 0.00 -1.01 -4.98 121.76 110.75 2pip s ALA 765 Ca -0.13 0.62 0.12 0.00 0.00 0.00 0.00 51.96 52.57 2pip s ALA 765 Cb 0.12 0.65 0.93 0.00 0.00 0.00 0.00 23.12 24.81 2pip s ALA 765 CO 0.73 -0.79 1.79 -1.35 0.00 0.00 0.00 175.76 176.14 2pip h PRO 766 N 2.00 0.55 -0.64 0.00 0.11 -1.90 0.14 132.00 132.26 2pip h PRO 766 Ca -0.26 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.56 2pip h PRO 766 Cb 1.27 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.10 2pip h PRO 766 CO 0.32 0.37 0.24 -0.40 -0.21 0.00 0.00 178.00 178.32 2pip n ASP 767 N -4.68 3.85 -2.82 -2.05 5.75 -1.26 -4.66 116.55 110.69 2pip n ASP 767 Ca 0.23 -3.43 -0.08 0.00 -0.01 0.00 0.00 54.79 51.50 2pip n ASP 767 Cb 0.69 -0.72 0.01 0.00 -1.03 0.00 0.00 41.12 40.08 2pip n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2pip n LEU 768 N -0.69 -2.86 -4.49 -2.12 7.94 0.50 -4.25 117.00 111.04 2pip n LEU 768 Ca 0.41 -3.26 -0.35 0.00 -1.11 0.00 0.00 56.01 51.69 2pip n LEU 768 Cb 1.31 0.77 -0.12 0.00 0.53 0.00 0.00 43.42 45.91 2pip n LEU 768 CO 0.38 1.97 -0.30 -0.69 -1.11 0.00 0.00 177.39 177.63 2pip s VAL 769 N 0.64 4.22 -0.35 1.96 1.01 -1.24 -2.39 120.40 124.24 2pip s VAL 769 Ca 0.31 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 2pip s VAL 769 Cb 0.10 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 2pip s VAL 769 CO -0.14 0.41 0.58 -0.36 0.00 0.00 0.00 175.10 175.59 2pip s PHE 770 N 1.03 3.17 0.47 5.22 0.40 -0.58 -4.98 117.98 122.70 2pip s PHE 770 Ca 0.03 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 2pip s PHE 770 Cb -0.14 -3.03 0.09 0.00 0.51 0.00 0.00 43.02 40.45 2pip s PHE 770 CO 0.02 -0.57 0.65 0.27 0.70 0.00 0.00 175.22 176.29 2pip n ASN 771 N 5.89 1.04 -0.24 1.36 0.23 -1.26 -2.52 115.26 119.77 2pip n ASN 771 Ca -0.03 -1.84 -0.00 0.00 -0.53 0.00 0.00 54.58 52.18 2pip n ASN 771 Cb 0.49 -0.40 0.12 0.00 -2.08 0.00 0.00 39.78 37.90 2pip n ASN 771 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2pip h GLU 772 N 0.00 0.65 -0.03 -3.83 4.39 -1.97 -1.17 114.58 112.63 2pip h GLU 772 Ca -0.21 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.46 2pip h GLU 772 Cb 0.83 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2pip h GLU 772 CO 0.25 0.43 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.57 2pip h TYR 773 N 0.67 -0.11 -0.67 4.33 3.20 -2.00 -2.17 116.97 120.23 2pip h TYR 773 Ca 0.32 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 2pip h TYR 773 Cb 0.25 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2pip h TYR 773 CO -0.09 -0.07 0.17 0.00 -1.64 0.00 0.00 178.16 176.53 2pip h ARG 774 N -0.07 1.06 -0.85 1.82 3.08 -1.86 -0.08 114.38 117.49 2pip h ARG 774 Ca 0.03 -0.24 0.16 0.00 0.07 0.00 0.00 59.98 60.00 2pip h ARG 774 Cb 0.10 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 2pip h ARG 774 CO -0.07 0.94 0.56 0.52 -1.07 0.00 0.00 179.97 180.85 2pip h MET 775 N 1.01 0.50 0.01 0.04 2.86 -0.85 0.23 114.93 118.74 2pip h MET 775 Ca 0.21 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2pip h MET 775 Cb 0.35 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2pip h MET 775 CO 0.00 0.33 -0.01 1.25 1.06 0.00 0.00 176.91 179.55 2pip h HIS 776 N 0.52 -0.02 0.00 -0.22 -0.00 -0.67 -2.94 115.15 111.83 2pip h HIS 776 Ca 0.43 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.79 2pip h HIS 776 Cb 0.89 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2pip h HIS 776 CO -0.00 0.75 -0.05 0.87 -0.00 0.00 0.00 177.93 179.51 2pip h LYS 777 N -0.84 0.00 0.00 5.26 1.57 -0.48 -1.42 116.57 120.66 2pip h LYS 777 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pip h LYS 777 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2pip h LYS 777 CO 0.00 0.05 0.00 -1.13 -0.57 0.00 0.00 179.45 177.80 2pip n SER 778 N -3.49 0.67 -0.85 0.86 3.41 0.02 -4.14 113.62 110.09 2pip n SER 778 Ca -0.02 0.64 -0.11 0.00 -0.26 0.00 0.00 58.87 59.12 2pip n SER 778 Cb 0.16 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.27 2pip n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pip n ARG 779 N -2.21 -0.91 -2.64 4.33 1.74 -0.53 -4.87 116.66 111.57 2pip n ARG 779 Ca 0.03 0.87 -0.09 0.00 -0.77 0.00 0.00 57.85 57.88 2pip n ARG 779 Cb 0.27 -4.88 0.03 0.00 -1.02 0.00 0.00 32.46 26.87 2pip n ARG 779 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pip n MET 780 N -2.40 1.92 -0.05 5.56 0.00 -1.25 -4.91 117.12 115.99 2pip n MET 780 Ca -0.11 -3.60 -0.09 0.00 0.00 0.00 0.00 57.70 53.90 2pip n MET 780 Cb 0.40 -1.62 -0.02 0.00 0.00 0.00 0.00 33.22 31.97 2pip n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2pip h TYR 781 N 2.70 0.21 -0.98 3.17 5.03 -1.81 -0.87 116.97 124.41 2pip h TYR 781 Ca -0.02 0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.40 2pip h TYR 781 Cb 1.23 -0.06 -0.08 0.00 1.55 0.00 0.00 36.73 39.37 2pip h TYR 781 CO 0.58 0.12 0.63 0.66 -1.32 0.00 0.00 178.16 178.82 2pip h SER 782 N 0.24 0.94 0.05 -2.11 4.64 -1.91 0.16 113.55 115.57 2pip h SER 782 Ca 0.09 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2pip h SER 782 Cb 0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2pip h SER 782 CO -0.06 0.54 -0.53 1.56 -0.87 0.00 0.00 176.83 177.47 2pip h GLN 783 N 1.03 0.53 -0.32 4.77 7.50 -1.85 -2.66 115.11 124.10 2pip h GLN 783 Ca 0.46 -0.32 -0.12 0.00 0.50 0.00 0.00 58.65 59.17 2pip h GLN 783 Cb 0.38 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.93 2pip h GLN 783 CO -0.22 0.93 -0.29 0.00 -1.50 0.00 0.00 178.83 177.75 2pip h VAL 785 N 0.58 1.08 -0.50 0.00 2.07 -0.61 -0.42 116.25 118.45 2pip h VAL 785 Ca 0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2pip h VAL 785 Cb 0.79 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2pip h VAL 785 CO 0.06 0.07 0.28 0.03 0.02 0.00 0.00 177.57 178.04 2pip h ARG 786 N 0.20 0.69 -0.64 1.57 3.08 -1.38 -0.12 114.38 117.77 2pip h ARG 786 Ca 0.06 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2pip h ARG 786 Cb 0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2pip h ARG 786 CO -0.01 0.53 0.15 0.52 -1.07 0.00 0.00 179.97 180.09 2pip h MET 787 N 0.66 1.01 -0.02 0.04 2.86 -1.25 -1.28 114.93 116.95 2pip h MET 787 Ca 0.18 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 2pip h MET 787 Cb 0.03 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2pip h MET 787 CO -0.03 0.90 -0.43 -0.09 1.06 0.00 0.00 176.91 178.32 2pip h ARG 788 N 0.96 0.04 -0.18 1.72 2.43 -0.78 -1.17 114.38 117.41 2pip h ARG 788 Ca 0.20 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 2pip h ARG 788 Cb 0.34 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2pip h ARG 788 CO 0.00 0.47 -0.40 1.25 -1.51 0.00 0.00 179.97 179.78 2pip h HIS 789 N 0.04 0.48 -0.47 2.20 2.76 -0.21 -1.93 115.15 118.03 2pip h HIS 789 Ca -0.00 -0.13 -0.07 0.00 -2.20 0.00 0.00 60.37 57.96 2pip h HIS 789 Cb 0.78 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 2pip h HIS 789 CO 0.00 0.75 0.00 1.25 -1.30 0.00 0.00 177.93 178.64 2pip h LEU 790 N 0.34 0.80 -1.09 0.26 5.85 -0.52 -2.39 115.31 118.56 2pip h LEU 790 Ca 0.03 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2pip h LEU 790 Cb 0.86 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2pip h LEU 790 CO 0.07 0.91 0.62 -1.28 -0.34 0.00 0.00 178.44 178.42 2pip h SER 791 N 0.67 1.06 -0.34 1.25 0.87 -0.95 -2.16 113.55 113.95 2pip h SER 791 Ca 0.13 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2pip h SER 791 Cb 0.50 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2pip h SER 791 CO 0.02 0.75 0.04 1.56 -0.53 0.00 0.00 176.83 178.68 2pip h GLN 792 N 1.24 0.67 -0.98 2.24 4.20 -1.04 -2.46 115.11 118.97 2pip h GLN 792 Ca 0.35 -0.15 0.10 0.00 0.06 0.00 0.00 58.65 59.02 2pip h GLN 792 Cb -0.10 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.50 2pip h GLN 792 CO -0.09 0.65 0.61 0.93 -0.67 0.00 0.00 178.83 180.27 2pip h GLU 793 N 0.64 0.98 -0.51 1.46 4.39 -0.88 -0.47 114.58 120.19 2pip h GLU 793 Ca 0.14 -0.06 0.15 0.00 0.34 0.00 0.00 59.36 59.92 2pip h GLU 793 Cb 0.34 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2pip h GLU 793 CO 0.01 0.65 0.39 0.74 -1.16 0.00 0.00 179.01 179.64 2pip h PHE 794 N 1.01 0.00 0.08 4.33 0.04 -1.39 0.65 116.94 121.66 2pip h PHE 794 Ca 0.47 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.96 2pip h PHE 794 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2pip h PHE 794 CO -0.01 0.00 -1.49 0.78 -0.60 0.00 0.00 178.31 176.99 2pip h GLY 795 N 0.00 0.19 1.13 -1.45 0.00 -1.22 -1.58 103.07 100.14 2pip h GLY 795 Ca 0.24 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2pip h GLY 795 CO -0.00 0.42 0.46 1.49 0.00 0.00 0.00 176.54 178.91 2pip h TRP 796 N -0.45 1.11 -0.08 5.60 6.55 -0.75 -1.70 115.95 126.23 2pip h TRP 796 Ca -0.35 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.48 2pip h TRP 796 Cb 1.67 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 29.61 2pip h TRP 796 CO 0.11 0.76 0.00 1.28 -1.05 0.00 0.00 178.44 179.54 2pip n LEU 797 N -4.35 1.50 -3.97 -4.49 4.77 0.17 -4.95 117.00 105.68 2pip n LEU 797 Ca 0.09 -0.56 -0.31 0.00 -0.03 0.00 0.00 56.01 55.19 2pip n LEU 797 Cb 0.09 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2pip n LEU 797 CO 0.38 0.28 -0.23 0.00 -1.33 0.00 0.00 177.39 176.50 2pip n GLN 798 N 0.19 -1.98 -2.15 3.23 6.02 -0.64 -4.87 117.38 117.18 2pip n GLN 798 Ca 0.18 0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 57.07 2pip n GLN 798 Cb 0.33 -3.98 -0.03 0.00 1.02 0.00 0.00 30.24 27.58 2pip n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pip s ILE 799 N -3.85 3.03 0.44 5.09 -1.09 -0.60 -5.02 121.20 119.20 2pip s ILE 799 Ca 0.19 0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 59.42 2pip s ILE 799 Cb -0.08 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2pip s ILE 799 CO 0.91 0.13 0.71 0.42 -1.23 0.00 0.00 174.94 175.88 2pip s THR 800 N 0.10 4.97 0.34 2.92 -4.23 -1.26 -4.94 115.64 113.54 2pip s THR 800 Ca 0.58 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.15 2pip s THR 800 Cb -0.38 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 69.90 2pip s THR 800 CO 0.40 -0.75 1.89 -0.65 -0.54 0.00 0.00 174.62 174.97 2pip h PRO 801 N 0.41 0.78 -0.33 3.99 0.11 -1.99 -1.05 132.00 133.92 2pip h PRO 801 Ca -0.48 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 2pip h PRO 801 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2pip h PRO 801 CO 0.62 0.52 -0.26 1.96 -0.21 0.00 0.00 178.00 180.62 2pip h GLN 802 N 0.80 0.76 -0.61 1.05 7.50 -2.00 -1.57 115.11 121.06 2pip h GLN 802 Ca 0.41 -0.38 -0.04 0.00 0.50 0.00 0.00 58.65 59.15 2pip h GLN 802 Cb 0.49 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.99 2pip h GLN 802 CO -0.17 1.00 0.22 0.93 -1.50 0.00 0.00 178.83 179.31 2pip h GLU 803 N 0.53 0.89 -0.06 1.46 5.08 -1.76 -2.24 114.58 118.48 2pip h GLU 803 Ca 0.06 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2pip h GLU 803 Cb 0.83 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2pip h GLU 803 CO 0.07 0.75 0.01 0.35 -1.00 0.00 0.00 179.01 179.19 2pip h PHE 804 N 0.88 0.10 -0.53 4.33 3.57 -1.08 -2.15 116.94 122.05 2pip h PHE 804 Ca 0.20 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 2pip h PHE 804 Cb 0.20 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2pip h PHE 804 CO 0.01 0.29 0.21 -0.07 -2.23 0.00 0.00 178.31 176.52 2pip h LEU 805 N -0.13 0.22 0.08 0.59 3.38 -1.08 -0.32 115.31 118.06 2pip h LEU 805 Ca 0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pip h LEU 805 Cb 0.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2pip h LEU 805 CO 0.00 0.15 -0.04 0.00 0.09 0.00 0.00 178.44 178.64 2pip h MET 807 N -0.34 0.40 -0.53 0.00 2.86 -1.18 0.03 114.93 116.16 2pip h MET 807 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2pip h MET 807 Cb 0.29 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2pip h MET 807 CO 0.02 0.27 0.30 -0.22 1.06 0.00 0.00 176.91 178.33 2pip h LYS 808 N 0.41 0.74 -1.01 1.72 3.64 -0.93 -1.42 116.57 119.73 2pip h LYS 808 Ca 0.31 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2pip h LYS 808 Cb 0.38 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 2pip h LYS 808 CO -0.30 0.57 0.66 0.00 -2.27 0.00 0.00 179.45 178.10 2pip h ALA 809 N 1.13 1.38 0.00 5.00 0.00 -0.48 -1.66 119.26 124.62 2pip h ALA 809 Ca 0.19 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2pip h ALA 809 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2pip h ALA 809 CO -0.03 0.49 -0.37 1.25 0.00 0.00 0.00 179.25 180.59 2pip h LEU 810 N 1.22 0.00 -1.54 0.00 5.85 -0.36 -2.84 115.31 117.64 2pip h LEU 810 Ca 0.42 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 2pip h LEU 810 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2pip h LEU 810 CO -0.16 0.37 0.05 -0.07 -0.34 0.00 0.00 178.44 178.29 2pip h LEU 811 N 0.00 0.31 -2.40 2.25 3.38 -0.29 -0.75 115.31 117.81 2pip h LEU 811 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pip h LEU 811 Cb 0.65 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2pip h LEU 811 CO 0.05 0.33 -0.02 0.25 0.09 0.00 0.00 178.44 179.14 2pip h LEU 812 N 0.34 0.00 -3.81 1.67 5.85 -1.45 -2.41 115.31 115.51 2pip h LEU 812 Ca 0.08 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.23 2pip h LEU 812 Cb 0.15 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 40.81 2pip h LEU 812 CO -0.00 0.02 -0.29 0.49 -0.34 0.00 0.00 178.44 178.31 2pip n PHE 813 N -3.82 2.83 -0.47 1.25 3.72 -0.30 -4.66 117.46 116.01 2pip n PHE 813 Ca -0.03 -2.44 0.04 0.00 -0.05 0.00 0.00 57.45 54.98 2pip n PHE 813 Cb 0.10 -0.68 0.07 0.00 -0.94 0.00 0.00 39.48 38.03 2pip n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pip n SER 814 N -0.79 2.23 -3.45 4.37 7.64 -0.91 -4.96 113.62 117.76 2pip n SER 814 Ca 0.49 -2.47 -0.04 0.00 1.01 0.00 0.00 58.87 57.86 2pip n SER 814 Cb 0.88 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.82 2pip n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2pip s ILE 815 N -1.82 -0.79 0.09 0.44 2.07 -1.26 0.12 121.20 120.05 2pip s ILE 815 Ca 0.15 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2pip s ILE 815 Cb 0.13 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 2pip s ILE 815 CO 0.02 -0.01 0.04 0.27 -1.91 0.00 0.00 174.94 173.34 2pip s ILE 816 N 2.71 0.16 0.45 2.00 -4.36 -0.90 -4.77 121.20 116.49 2pip s ILE 816 Ca 0.07 -1.78 -0.24 0.00 -0.26 0.00 0.00 60.65 58.44 2pip s ILE 816 Cb -0.14 -1.73 -0.08 0.00 1.25 0.00 0.00 42.46 41.76 2pip s ILE 816 CO -0.17 -0.73 1.21 -2.16 0.24 0.00 0.00 174.94 173.34 2pip s PRO 817 N -3.97 3.79 0.61 0.37 0.04 -1.26 -1.38 135.00 133.20 2pip s PRO 817 Ca 0.14 1.91 0.30 0.00 0.04 0.00 0.00 61.00 63.39 2pip s PRO 817 Cb 0.07 -2.51 1.69 0.00 0.04 0.00 0.00 34.50 33.79 2pip s PRO 817 CO -0.05 -0.56 2.06 -0.39 0.04 0.00 0.00 177.00 178.10 2pip h VAL 818 N 2.03 0.35 -0.49 -0.36 -1.51 -1.71 0.99 116.25 115.55 2pip h VAL 818 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2pip h VAL 818 Cb 1.25 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2pip h VAL 818 CO 0.61 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.42 2pip n ASP 819 N -3.60 3.29 -0.45 4.19 10.43 -1.26 -5.06 116.55 124.08 2pip n ASP 819 Ca 0.02 -2.20 0.06 0.00 2.57 0.00 0.00 54.79 55.23 2pip n ASP 819 Cb 0.37 -0.44 -0.02 0.00 1.84 0.00 0.00 41.12 42.87 2pip n ASP 819 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pip n GLY 820 N 1.06 -1.53 3.12 0.44 0.00 0.34 -5.00 105.19 103.62 2pip n GLY 820 Ca 0.18 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 2pip n GLY 820 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pip n LEU 821 N -2.11 0.00 0.25 0.99 4.77 -1.26 -4.63 117.00 115.01 2pip n LEU 821 Ca 0.00 -2.21 -0.15 0.00 -0.03 0.00 0.00 56.01 53.62 2pip n LEU 821 Cb 0.21 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2pip n LEU 821 CO 0.00 -0.58 0.63 0.11 -1.33 0.00 0.00 177.39 176.22 2pip h LYS 822 N 0.00 -0.59 -2.41 3.23 1.57 -1.96 -3.28 116.57 113.12 2pip h LYS 822 Ca -0.26 0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 57.89 2pip h LYS 822 Cb 1.02 0.13 -0.37 0.00 0.08 0.00 0.00 32.23 33.10 2pip h LYS 822 CO 0.39 -0.33 -0.13 0.09 -0.57 0.00 0.00 179.45 178.90 2pip n ASN 823 N -5.30 4.73 -0.34 0.86 3.02 -1.26 -4.90 115.26 112.08 2pip n ASN 823 Ca -0.11 -3.46 0.07 0.00 -0.03 0.00 0.00 54.58 51.04 2pip n ASN 823 Cb 0.29 -0.86 0.23 0.00 -0.61 0.00 0.00 39.78 38.83 2pip n ASN 823 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2pip h GLN 824 N 4.47 0.86 -0.50 3.52 5.75 -1.97 -2.75 115.11 124.48 2pip h GLN 824 Ca 0.21 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.75 2pip h GLN 824 Cb 0.62 -0.19 -0.08 0.00 1.07 0.00 0.00 27.48 28.90 2pip h GLN 824 CO 1.00 0.57 0.03 0.87 -2.65 0.00 0.00 178.83 178.65 2pip h LYS 825 N 0.88 0.14 -0.36 1.69 1.57 -1.93 -1.39 116.57 117.18 2pip h LYS 825 Ca 0.48 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.21 2pip h LYS 825 Cb 0.52 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2pip h LYS 825 CO -0.28 0.10 0.08 0.74 -0.57 0.00 0.00 179.45 179.51 2pip h PHE 826 N 0.15 0.54 -0.33 -1.35 0.04 -1.82 -2.28 116.94 111.88 2pip h PHE 826 Ca 0.26 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 2pip h PHE 826 Cb 0.38 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2pip h PHE 826 CO -0.29 0.48 0.04 0.35 -0.60 0.00 0.00 178.31 178.29 2pip h PHE 827 N 0.52 0.60 -0.23 -0.55 3.04 -1.29 -1.17 116.94 117.86 2pip h PHE 827 Ca 0.12 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2pip h PHE 827 Cb 0.22 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2pip h PHE 827 CO 0.01 0.65 0.15 -0.44 -2.02 0.00 0.00 178.31 176.66 2pip h ASP 828 N 0.38 0.27 -0.55 0.41 3.32 -0.92 0.21 116.42 119.54 2pip h ASP 828 Ca 0.10 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.17 2pip h ASP 828 Cb 0.38 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2pip h ASP 828 CO 0.01 0.20 0.31 -0.08 -1.72 0.00 0.00 179.24 177.97 2pip h GLU 829 N 0.31 0.59 -0.29 3.56 4.81 -1.37 0.14 114.58 122.34 2pip h GLU 829 Ca 0.09 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2pip h GLU 829 Cb -0.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2pip h GLU 829 CO -0.02 0.39 0.08 1.25 -0.73 0.00 0.00 179.01 179.99 2pip h LEU 830 N 0.61 0.43 -0.67 1.64 5.85 -0.74 -1.40 115.31 121.03 2pip h LEU 830 Ca 0.23 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2pip h LEU 830 Cb 0.07 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2pip h LEU 830 CO -0.12 0.53 0.25 -0.09 -0.34 0.00 0.00 178.44 178.67 2pip h ARG 831 N 0.31 1.02 -0.83 1.25 2.43 -0.31 -2.07 114.38 116.17 2pip h ARG 831 Ca 0.09 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2pip h ARG 831 Cb 0.26 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2pip h ARG 831 CO -0.00 0.86 0.54 1.98 -1.51 0.00 0.00 179.97 181.84 2pip h MET 832 N 0.96 1.03 -0.23 0.20 4.05 -0.54 -2.00 114.93 118.41 2pip h MET 832 Ca 0.22 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.46 2pip h MET 832 Cb 0.24 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2pip h MET 832 CO -0.01 0.68 -0.36 -0.91 0.23 0.00 0.00 176.91 176.54 2pip h ASN 833 N 1.07 0.51 1.10 1.39 2.35 -0.85 -1.99 115.58 119.16 2pip h ASN 833 Ca 0.33 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2pip h ASN 833 Cb -0.03 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2pip h ASN 833 CO -0.10 0.83 -0.23 1.88 -1.65 0.00 0.00 177.43 178.16 2pip h TYR 834 N 0.42 0.00 0.03 1.19 -1.99 -1.08 -1.55 116.97 113.98 2pip h TYR 834 Ca 0.04 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.51 2pip h TYR 834 Cb 0.82 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.57 2pip h TYR 834 CO 0.03 0.23 -1.07 0.82 -0.00 0.00 0.00 178.16 178.17 2pip h ILE 835 N 0.00 1.32 -0.52 -2.88 2.04 -1.10 -2.80 117.51 113.57 2pip h ILE 835 Ca -0.00 -2.38 -0.00 0.00 1.00 0.00 0.00 64.86 63.47 2pip h ILE 835 Cb 0.84 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 2pip h ILE 835 CO 0.03 0.73 0.31 0.50 0.00 0.00 0.00 178.15 179.71 2pip h LYS 836 N 0.31 0.70 -0.94 2.37 3.64 -1.09 -2.03 116.57 119.54 2pip h LYS 836 Ca -0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2pip h LYS 836 Cb 1.73 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.36 2pip h LYS 836 CO 0.20 0.51 0.56 0.93 -2.27 0.00 0.00 179.45 179.39 2pip h GLU 837 N 0.69 1.27 0.00 1.90 4.39 -1.31 -0.98 114.58 120.54 2pip h GLU 837 Ca 0.18 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 2pip h GLU 837 Cb -0.01 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 2pip h GLU 837 CO -0.03 0.89 -0.24 1.25 -1.16 0.00 0.00 179.01 179.71 2pip h LEU 838 N 1.29 0.00 -0.13 1.33 5.85 -1.20 -1.86 115.31 120.59 2pip h LEU 838 Ca 0.34 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 2pip h LEU 838 Cb -0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2pip h LEU 838 CO -0.06 0.24 -0.10 0.44 -0.34 0.00 0.00 178.44 178.61 2pip h ASP 839 N 0.00 0.32 -0.49 1.25 3.32 -0.48 -2.62 116.42 117.72 2pip h ASP 839 Ca -0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2pip h ASP 839 Cb 0.44 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2pip h ASP 839 CO 0.03 0.71 0.27 0.03 -1.72 0.00 0.00 179.24 178.56 2pip h ARG 840 N -0.06 0.71 -0.83 3.56 -0.00 -0.99 0.59 114.38 117.37 2pip h ARG 840 Ca 0.03 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.98 59.39 2pip h ARG 840 Cb 0.61 -0.14 -0.04 0.00 0.00 0.00 0.00 29.97 30.39 2pip h ARG 840 CO 0.03 0.54 0.36 0.82 0.00 0.00 0.00 179.97 181.72 2pip h ILE 841 N 0.72 1.26 -0.18 2.04 1.08 -1.26 0.27 117.51 121.44 2pip h ILE 841 Ca 0.18 -0.78 -0.19 0.00 -0.39 0.00 0.00 64.86 63.68 2pip h ILE 841 Cb 0.04 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2pip h ILE 841 CO -0.03 0.33 -0.66 0.40 -0.69 0.00 0.00 178.15 177.50 2pip h ILE 842 N 1.19 1.31 -0.00 -0.67 2.04 -0.91 -3.27 117.51 117.18 2pip h ILE 842 Ca 0.28 -1.91 -0.20 0.00 1.00 0.00 0.00 64.86 64.03 2pip h ILE 842 Cb 0.17 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2pip h ILE 842 CO -0.03 0.60 -0.88 0.00 0.00 0.00 0.00 178.15 177.84 2pip h ALA 843 N 0.77 0.49 0.00 1.87 0.00 -0.63 -3.31 119.26 118.45 2pip h ALA 843 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2pip h ALA 843 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pip h ALA 843 CO 0.13 0.87 0.00 0.00 0.00 0.00 0.00 179.25 180.25 2pip n LYS 845 N 1.06 0.02 -3.72 0.00 3.00 -1.25 -5.03 118.16 112.24 2pip n LYS 845 Ca 0.00 -0.21 -0.12 0.00 -0.00 0.00 0.00 58.31 57.98 2pip n LYS 845 Cb 0.29 0.47 -0.11 0.00 0.00 0.00 0.00 35.03 35.68 2pip n LYS 845 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2pip s ARG 846 N 0.00 0.34 -0.20 1.64 0.52 -0.99 -5.05 118.95 115.21 2pip s ARG 846 Ca 0.00 0.64 0.05 0.00 -0.52 0.00 0.00 55.73 55.89 2pip s ARG 846 Cb 0.01 -0.00 -0.21 0.00 0.52 0.00 0.00 34.95 35.27 2pip s ARG 846 CO -0.00 -0.13 0.02 1.17 0.02 0.00 0.00 175.30 176.37 2pip n LYS 847 N 3.93 0.68 -2.47 3.54 3.00 -1.26 -4.92 118.16 120.65 2pip n LYS 847 Ca -0.21 0.15 -0.41 0.00 -0.00 0.00 0.00 58.31 57.84 2pip n LYS 847 Cb 0.55 -1.58 -0.04 0.00 0.00 0.00 0.00 35.03 33.96 2pip n LYS 847 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2pip s ASN 848 N -6.37 7.23 0.14 3.14 0.01 -1.26 -4.93 114.94 112.89 2pip s ASN 848 Ca -0.25 2.17 0.24 0.00 -0.71 0.00 0.00 52.86 54.32 2pip s ASN 848 Cb 0.08 -2.61 0.93 0.00 0.41 0.00 0.00 41.25 40.05 2pip s ASN 848 CO 0.70 -0.23 1.75 -0.81 -1.51 0.00 0.00 177.10 177.00 2pip n PRO 849 N 2.05 0.14 0.01 -0.60 -0.04 -1.26 -2.97 135.00 132.33 2pip n PRO 849 Ca 0.02 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 2pip n PRO 849 Cb 0.45 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 2pip n PRO 849 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2pip n THR 850 N -1.95 1.23 -0.05 0.52 -1.04 -1.26 -3.86 114.28 107.87 2pip n THR 850 Ca 0.05 -0.72 -0.11 0.00 -2.04 0.00 0.00 64.05 61.22 2pip n THR 850 Cb 0.32 -0.73 0.02 0.00 -1.82 0.00 0.00 70.33 68.11 2pip n THR 850 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2pip h SER 851 N 0.00 0.80 0.45 8.00 4.64 -1.94 -2.24 113.55 123.27 2pip h SER 851 Ca -0.22 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 60.67 2pip h SER 851 Cb 1.70 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2pip h SER 851 CO 0.05 1.16 -0.22 0.00 -0.87 0.00 0.00 176.83 176.95 2pip h SER 853 N -0.74 0.66 -0.53 0.00 0.02 -1.67 -0.85 113.55 110.45 2pip h SER 853 Ca -0.06 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 2pip h SER 853 Cb 0.53 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2pip h SER 853 CO 0.10 0.45 -0.10 -0.09 -1.14 0.00 0.00 176.83 176.05 2pip h ARG 854 N 0.76 1.00 -0.05 3.45 2.43 -1.20 -2.52 114.38 118.26 2pip h ARG 854 Ca 0.27 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2pip h ARG 854 Cb 0.13 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2pip h ARG 854 CO -0.08 1.05 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.32 2pip h ARG 855 N 0.88 0.09 -0.83 0.20 9.65 -0.21 -2.33 114.38 121.84 2pip h ARG 855 Ca 0.14 -0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.10 2pip h ARG 855 Cb 0.67 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.16 2pip h ARG 855 CO 0.05 0.48 0.45 0.35 2.80 0.00 0.00 179.97 184.09 2pip h PHE 856 N -0.29 0.80 -0.13 2.20 3.57 -1.21 0.94 116.94 122.82 2pip h PHE 856 Ca 0.01 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2pip h PHE 856 Cb 0.45 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2pip h PHE 856 CO 0.07 0.26 -0.00 -0.92 -2.23 0.00 0.00 178.31 175.49 2pip h TYR 857 N 0.70 -0.01 -0.48 0.41 3.20 -1.37 -0.75 116.97 118.68 2pip h TYR 857 Ca 0.43 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.32 2pip h TYR 857 Cb 0.50 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 2pip h TYR 857 CO -0.08 -0.02 0.29 1.96 -1.64 0.00 0.00 178.16 178.68 2pip h GLN 858 N 0.04 0.57 -0.57 1.82 4.20 -0.52 -1.80 115.11 118.86 2pip h GLN 858 Ca 0.06 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 2pip h GLN 858 Cb 0.07 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2pip h GLN 858 CO -0.10 0.38 0.01 -0.07 -0.67 0.00 0.00 178.83 178.37 2pip h LEU 859 N 0.59 0.98 -1.18 1.46 3.38 -0.59 -1.17 115.31 118.79 2pip h LEU 859 Ca 0.19 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2pip h LEU 859 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2pip h LEU 859 CO -0.07 1.04 -0.39 0.71 0.09 0.00 0.00 178.44 179.82 2pip h THR 860 N 0.88 1.28 -0.29 0.22 1.35 -1.05 -0.28 112.91 115.03 2pip h THR 860 Ca 0.16 -1.36 -0.09 0.00 -0.55 0.00 0.00 66.41 64.57 2pip h THR 860 Cb 0.53 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 2pip h THR 860 CO 0.03 0.39 -0.17 0.11 -0.25 0.00 0.00 175.52 175.63 2pip h LYS 861 N 0.04 0.63 -0.54 4.72 1.79 -1.01 -1.84 116.57 120.36 2pip h LYS 861 Ca 0.00 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.15 2pip h LYS 861 Cb 0.70 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2pip h LYS 861 CO 0.05 0.88 0.22 1.25 -1.08 0.00 0.00 179.45 180.76 2pip h LEU 862 N 0.37 0.74 -0.53 2.94 5.85 -0.82 -2.17 115.31 121.69 2pip h LEU 862 Ca 0.06 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2pip h LEU 862 Cb 0.71 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2pip h LEU 862 CO 0.05 0.71 0.34 -0.07 -0.34 0.00 0.00 178.44 179.12 2pip h LEU 863 N 0.73 0.57 -0.68 2.25 3.38 -0.97 -2.78 115.31 117.80 2pip h LEU 863 Ca 0.18 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2pip h LEU 863 Cb 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2pip h LEU 863 CO -0.01 0.41 0.30 0.44 0.09 0.00 0.00 178.44 179.66 2pip h ASP 864 N 0.68 0.92 0.00 -0.43 3.32 -1.13 -2.46 116.42 117.32 2pip h ASP 864 Ca 0.20 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2pip h ASP 864 Cb -0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2pip h ASP 864 CO -0.07 0.82 0.00 0.77 -1.72 0.00 0.00 179.24 179.04 2pip h SER 865 N 0.96 0.00 -0.21 6.45 4.64 -1.11 -2.01 113.55 122.27 2pip h SER 865 Ca 0.23 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 2pip h SER 865 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2pip h SER 865 CO -0.02 0.00 -0.61 0.58 -0.87 0.00 0.00 176.83 175.91 2pip h VAL 866 N 0.00 1.29 -0.30 0.95 2.07 -1.39 -3.35 116.25 115.52 2pip h VAL 866 Ca 0.00 -1.81 0.06 0.00 0.82 0.00 0.00 66.70 65.77 2pip h VAL 866 Cb 0.01 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2pip h VAL 866 CO 0.00 0.58 -0.07 1.56 0.02 0.00 0.00 177.57 179.66 2pip h GLN 867 N 0.53 0.00 -0.62 1.57 1.08 -1.49 -1.04 115.11 115.15 2pip h GLN 867 Ca -0.02 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 2pip h GLN 867 Cb 1.23 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.60 2pip h GLN 867 CO 0.13 0.00 0.31 -1.35 -0.95 0.00 0.00 178.83 176.97 2pip h PRO 868 N 0.00 0.56 -0.81 1.46 0.11 -1.71 -0.40 132.00 131.21 2pip h PRO 868 Ca 0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 2pip h PRO 868 Cb 0.22 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 2pip h PRO 868 CO -0.30 0.37 0.49 0.82 -0.21 0.00 0.00 178.00 179.17 2pip h ILE 869 N 0.57 1.23 -0.22 4.15 2.04 -1.56 -2.32 117.51 121.39 2pip h ILE 869 Ca 0.28 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2pip h ILE 869 Cb 0.22 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2pip h ILE 869 CO -0.21 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.25 2pip h ALA 870 N 1.26 0.29 -0.82 1.87 0.00 -0.41 -2.48 119.26 118.98 2pip h ALA 870 Ca 0.29 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2pip h ALA 870 Cb -0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2pip h ALA 870 CO -0.06 -0.08 0.48 -0.09 0.00 0.00 0.00 179.25 179.50 2pip h ARG 871 N 0.19 0.81 -0.10 0.00 2.43 -0.81 0.51 114.38 117.41 2pip h ARG 871 Ca 0.07 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2pip h ARG 871 Cb 0.23 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2pip h ARG 871 CO -0.00 0.54 -0.23 0.93 -1.51 0.00 0.00 179.97 179.69 2pip h GLU 872 N 0.84 0.17 0.06 0.20 5.08 -1.25 -0.14 114.58 119.53 2pip h GLU 872 Ca 0.38 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.46 2pip h GLU 872 Cb 0.30 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2pip h GLU 872 CO -0.22 0.40 -1.07 -0.07 -1.00 0.00 0.00 179.01 177.05 2pip h LEU 873 N 0.16 0.36 -0.48 1.33 3.38 -0.65 -2.05 115.31 117.36 2pip h LEU 873 Ca 0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2pip h LEU 873 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2pip h LEU 873 CO 0.04 1.21 0.26 0.45 0.09 0.00 0.00 178.44 180.48 2pip h HIS 874 N 0.10 0.65 -0.43 1.13 3.86 0.55 -0.36 115.15 120.66 2pip h HIS 874 Ca -0.09 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 58.98 2pip h HIS 874 Cb 1.76 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 30.01 2pip h HIS 874 CO 0.05 0.49 -0.22 0.37 0.86 0.00 0.00 177.93 179.47 2pip h GLN 875 N 0.63 0.91 -0.20 2.45 5.75 -1.04 -2.36 115.11 121.26 2pip h GLN 875 Ca 0.17 -0.40 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 2pip h GLN 875 Cb 0.05 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 2pip h GLN 875 CO -0.03 1.06 0.04 0.35 -2.65 0.00 0.00 178.83 177.60 2pip h PHE 876 N 0.74 0.34 -0.61 3.99 3.04 -1.24 -1.95 116.94 121.25 2pip h PHE 876 Ca 0.09 -0.05 -0.10 0.00 3.98 0.00 0.00 57.97 61.90 2pip h PHE 876 Cb 0.80 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.19 2pip h PHE 876 CO 0.06 0.46 -0.01 0.00 -2.02 0.00 0.00 178.31 176.80 2pip h THR 877 N 0.12 1.27 0.18 4.41 1.03 -1.10 -0.87 112.91 117.94 2pip h THR 877 Ca 0.06 -1.16 0.01 0.00 -0.01 0.00 0.00 66.41 65.30 2pip h THR 877 Cb 0.30 0.80 -0.02 0.00 -1.07 0.00 0.00 68.15 68.16 2pip h THR 877 CO 0.00 0.42 -0.22 0.15 -0.01 0.00 0.00 175.52 175.87 2pip h PHE 878 N 0.98 -0.58 -0.78 0.00 3.57 -1.36 0.11 116.94 118.89 2pip h PHE 878 Ca 0.17 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2pip h PHE 878 Cb 0.57 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2pip h PHE 878 CO 0.04 -0.32 0.51 -0.44 -2.23 0.00 0.00 178.31 175.87 2pip h ASP 879 N -0.45 0.81 -0.60 0.41 3.32 -1.17 -1.87 116.42 116.87 2pip h ASP 879 Ca 0.01 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 2pip h ASP 879 Cb 0.44 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2pip h ASP 879 CO -0.08 0.55 0.00 0.25 -1.72 0.00 0.00 179.24 178.25 2pip h LEU 880 N 0.94 1.04 -0.95 1.55 5.85 -0.46 -2.60 115.31 120.67 2pip h LEU 880 Ca 0.31 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2pip h LEU 880 Cb 0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2pip h LEU 880 CO -0.09 1.09 0.35 0.25 -0.34 0.00 0.00 178.44 179.69 2pip h LEU 881 N 0.96 1.00 -0.52 2.25 5.85 -0.04 0.34 115.31 125.15 2pip h LEU 881 Ca 0.17 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2pip h LEU 881 Cb 0.56 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2pip h LEU 881 CO 0.03 0.86 0.23 0.40 -0.34 0.00 0.00 178.44 179.62 2pip h ILE 882 N 1.09 1.21 -0.47 4.05 1.08 -1.15 -2.98 117.51 120.33 2pip h ILE 882 Ca 0.26 -0.61 -0.09 0.00 -0.39 0.00 0.00 64.86 64.03 2pip h ILE 882 Cb 0.14 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 2pip h ILE 882 CO -0.03 0.24 0.08 2.29 -0.69 0.00 0.00 178.15 180.03 2pip n LYS 883 N -4.56 3.33 -0.16 2.37 2.85 -1.00 -4.68 118.16 116.30 2pip n LYS 883 Ca 0.02 -3.02 -0.04 0.00 -1.05 0.00 0.00 58.31 54.22 2pip n LYS 883 Cb 0.14 -2.02 0.05 0.00 -0.65 0.00 0.00 35.03 32.54 2pip n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pip h SER 884 N 2.29 0.31 0.32 -5.58 4.64 -0.16 -1.25 113.55 114.12 2pip h SER 884 Ca 0.11 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2pip h SER 884 Cb 1.84 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2pip h SER 884 CO 0.45 0.22 -0.09 0.45 -0.87 0.00 0.00 176.83 176.98 2pip h HIS 885 N 0.45 0.00 0.16 4.77 3.86 -1.82 -1.72 115.15 120.85 2pip h HIS 885 Ca 0.22 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.13 2pip h HIS 885 Cb 0.16 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.65 2pip h HIS 885 CO -0.12 0.09 -1.29 0.52 0.86 0.00 0.00 177.93 177.99 2pip h MET 886 N 0.00 0.49 -0.62 2.45 2.07 -1.60 -3.32 114.93 114.40 2pip h MET 886 Ca -0.00 -0.74 0.00 0.00 -2.07 0.00 0.00 59.70 56.89 2pip h MET 886 Cb 0.28 0.26 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 2pip h MET 886 CO 0.01 1.34 0.00 1.33 1.07 0.00 0.00 176.91 180.66 2pip n VAL 887 N -3.70 2.29 -3.90 -2.22 0.24 -0.90 -4.96 118.33 105.18 2pip n VAL 887 Ca -0.13 -1.30 -0.28 0.00 -2.04 0.00 0.00 64.34 60.59 2pip n VAL 887 Cb 1.02 -0.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.34 2pip n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pip n SER 888 N 0.90 -3.14 -4.45 -1.34 7.64 -0.77 -4.49 113.62 107.98 2pip n SER 888 Ca 0.27 -0.85 -0.35 0.00 1.01 0.00 0.00 58.87 58.95 2pip n SER 888 Cb 1.04 -3.69 -0.12 0.00 -1.01 0.00 0.00 64.21 60.43 2pip n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2pip s VAL 889 N -3.48 4.05 0.00 0.44 1.01 -0.72 -4.71 120.40 117.00 2pip s VAL 889 Ca 0.42 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 2pip s VAL 889 Cb -0.22 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2pip s VAL 889 CO 0.84 0.41 0.69 -1.81 0.00 0.00 0.00 175.10 175.23 2pip s ASP 890 N 1.14 7.07 -0.19 3.32 1.01 -1.26 -4.59 116.67 123.17 2pip s ASP 890 Ca 0.03 1.28 -0.01 0.00 0.71 0.00 0.00 52.55 54.56 2pip s ASP 890 Cb -0.14 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.37 2pip s ASP 890 CO 0.02 0.01 -0.13 -0.36 0.21 0.00 0.00 175.17 174.92 2pip s PHE 891 N 0.10 2.84 1.03 4.23 0.40 -1.26 -4.59 117.98 120.73 2pip s PHE 891 Ca 0.36 -1.26 -0.13 0.00 -0.60 0.00 0.00 56.93 55.30 2pip s PHE 891 Cb -0.19 -1.98 0.14 0.00 0.51 0.00 0.00 43.02 41.51 2pip s PHE 891 CO 0.20 -0.64 0.70 -2.30 0.70 0.00 0.00 175.22 173.88 2pip n PRO 892 N 4.55 -1.10 0.31 0.24 -0.02 -1.26 -4.67 135.00 133.05 2pip n PRO 892 Ca -0.20 -0.28 -0.17 0.00 -2.02 0.00 0.00 63.50 60.83 2pip n PRO 892 Cb 0.51 -2.06 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 2pip n PRO 892 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2pip h GLU 893 N -2.03 -0.89 -0.86 -0.52 4.81 -1.99 -1.68 114.58 111.42 2pip h GLU 893 Ca -0.50 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2pip h GLU 893 Cb 1.30 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.84 2pip h GLU 893 CO 0.41 -0.59 0.55 0.52 -0.73 0.00 0.00 179.01 179.16 2pip h MET 894 N -0.92 1.14 -0.20 1.92 2.86 -2.00 -2.30 114.93 115.43 2pip h MET 894 Ca -0.06 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2pip h MET 894 Cb 0.78 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2pip h MET 894 CO 0.01 0.77 0.08 0.52 1.06 0.00 0.00 176.91 179.35 2pip h MET 895 N 1.17 0.17 -0.51 1.72 2.86 -1.90 -0.71 114.93 117.74 2pip h MET 895 Ca 0.31 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.96 2pip h MET 895 Cb -0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2pip h MET 895 CO -0.06 0.11 0.31 0.00 1.06 0.00 0.00 176.91 178.33 2pip h ALA 896 N 1.12 0.65 -0.07 6.32 0.00 -1.04 -0.59 119.26 125.65 2pip h ALA 896 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pip h ALA 896 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2pip h ALA 896 CO -0.08 0.03 0.02 1.49 0.00 0.00 0.00 179.25 180.71 2pip h GLU 897 N 0.63 0.11 -0.74 0.00 4.81 -1.19 -1.94 114.58 116.26 2pip h GLU 897 Ca 0.20 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2pip h GLU 897 Cb -0.01 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2pip h GLU 897 CO -0.07 0.29 0.26 0.82 -0.73 0.00 0.00 179.01 179.58 2pip h ILE 898 N -0.09 1.26 0.00 2.32 2.04 -0.95 -1.18 117.51 120.91 2pip h ILE 898 Ca 0.02 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 2pip h ILE 898 Cb 0.23 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2pip h ILE 898 CO -0.00 0.34 -0.27 0.40 0.00 0.00 0.00 178.15 178.62 2pip h ILE 899 N 1.08 0.63 -0.00 -0.67 2.04 -1.10 0.25 117.51 119.74 2pip h ILE 899 Ca 0.24 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2pip h ILE 899 Cb 0.27 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2pip h ILE 899 CO -0.01 0.26 -0.77 -1.54 0.00 0.00 0.00 178.15 176.09 2pip n SER 900 N -3.40 1.08 0.00 1.72 3.41 -0.73 -4.08 113.62 111.61 2pip n SER 900 Ca 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 2pip n SER 900 Cb 0.47 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2pip n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pip n VAL 901 N -1.20 0.00 -0.09 -3.33 0.31 -0.47 -4.79 118.33 108.76 2pip n VAL 901 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.22 2pip n VAL 901 Cb 0.36 -0.79 -0.09 0.00 -0.91 0.00 0.00 33.84 32.41 2pip n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pip n GLN 902 N -2.63 0.53 -0.24 5.55 1.13 0.83 -4.32 117.38 118.23 2pip n GLN 902 Ca 0.00 0.56 0.04 0.00 -1.94 0.00 0.00 57.00 55.67 2pip n GLN 902 Cb 0.49 -1.73 0.17 0.00 0.11 0.00 0.00 30.24 29.27 2pip n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2pip h VAL 903 N -1.00 0.61 -0.80 5.09 2.07 -1.54 -1.66 116.25 119.03 2pip h VAL 903 Ca -0.25 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.27 2pip h VAL 903 Cb 1.08 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2pip h VAL 903 CO -0.15 0.06 0.52 -0.65 0.02 0.00 0.00 177.57 177.37 2pip h PRO 904 N 0.35 0.58 -0.56 1.57 0.11 -1.78 -0.27 132.00 132.01 2pip h PRO 904 Ca 0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 2pip h PRO 904 Cb 0.62 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 2pip h PRO 904 CO -0.43 0.39 0.30 0.87 -0.21 0.00 0.00 178.00 178.91 2pip h LYS 905 N 0.60 0.77 0.03 1.05 1.57 -1.49 0.45 116.57 119.56 2pip h LYS 905 Ca 0.38 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2pip h LYS 905 Cb 0.65 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2pip h LYS 905 CO -0.15 0.58 -0.02 0.82 -0.57 0.00 0.00 179.45 180.11 2pip h ILE 906 N 0.78 1.38 0.00 1.86 2.04 -1.09 0.13 117.51 122.61 2pip h ILE 906 Ca 0.20 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2pip h ILE 906 Cb 0.04 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 2pip h ILE 906 CO -0.03 0.37 -0.02 -0.07 0.00 0.00 0.00 178.15 178.39 2pip h LEU 907 N -0.72 0.00 -0.70 1.44 3.38 -1.04 -1.08 115.31 116.59 2pip h LEU 907 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pip h LEU 907 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2pip h LEU 907 CO 0.01 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 2pip n SER 908 N -4.35 1.08 0.00 -0.43 3.41 0.13 -4.92 113.62 108.53 2pip n SER 908 Ca -0.03 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 2pip n SER 908 Cb 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2pip n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pip n GLY 909 N 1.12 0.86 0.21 5.00 0.00 -0.41 -4.92 105.19 107.05 2pip n GLY 909 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 2pip n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pip h LYS 910 N 3.31 0.00 -4.69 1.61 1.57 -0.97 -3.43 116.57 113.97 2pip h LYS 910 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2pip h LYS 910 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 2pip h LYS 910 CO 0.00 0.27 -0.82 0.08 -0.57 0.00 0.00 179.45 178.42 2pip s VAL 911 N -3.65 1.18 0.05 0.50 1.01 -0.77 -2.04 120.40 116.67 2pip s VAL 911 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2pip s VAL 911 Cb 0.11 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2pip s VAL 911 CO 0.65 0.36 -0.08 -0.54 0.00 0.00 0.00 175.10 175.50 2pip s LYS 912 N 0.52 0.55 0.67 2.72 1.02 -0.48 -4.32 119.74 120.43 2pip s LYS 912 Ca -0.12 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 54.94 2pip s LYS 912 Cb -0.15 -0.31 0.01 0.00 -0.52 0.00 0.00 37.83 36.86 2pip s LYS 912 CO 0.03 0.05 1.10 -2.14 -0.92 0.00 0.00 175.35 173.48 2pip s PRO 913 N -1.68 2.76 -0.42 -1.68 0.02 -1.26 -2.11 135.00 130.62 2pip s PRO 913 Ca -0.09 1.33 -0.15 0.00 0.02 0.00 0.00 61.00 62.11 2pip s PRO 913 Cb -0.09 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.51 2pip s PRO 913 CO 0.00 -1.27 0.31 0.42 -0.33 0.00 0.00 177.00 176.13 2pip s ILE 914 N -2.46 5.16 0.11 2.83 1.01 0.12 -4.90 121.20 123.07 2pip s ILE 914 Ca 0.65 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 2pip s ILE 914 Cb -0.19 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2pip s ILE 914 CO 0.44 -0.38 0.53 -0.31 0.00 0.00 0.00 174.94 175.22 2pip s TYR 915 N 1.65 3.66 0.02 3.97 1.51 -1.26 -4.92 117.35 121.98 2pip s TYR 915 Ca 0.04 1.07 -0.17 0.00 -1.01 0.00 0.00 57.07 57.00 2pip s TYR 915 Cb -0.20 -2.37 -0.31 0.00 -0.11 0.00 0.00 41.96 38.97 2pip s TYR 915 CO 0.09 0.49 1.03 0.74 -1.11 0.00 0.00 175.55 176.78 2pip h PHE 916 N 3.87 0.87 -3.38 2.71 -1.00 -1.98 -3.46 116.94 114.57 2pip h PHE 916 Ca -0.49 -0.58 -0.65 0.00 2.81 0.00 0.00 57.97 59.05 2pip h PHE 916 Cb 1.20 -0.06 -0.13 0.00 3.61 0.00 0.00 35.95 40.58 2pip h PHE 916 CO 0.66 1.43 -0.67 -1.01 -1.61 0.00 0.00 178.31 177.12 2pip s HIS 917 N -2.77 2.96 -2.31 -0.55 3.76 -1.26 -5.15 115.29 109.97 2pip s HIS 917 Ca -0.11 -0.04 0.30 0.00 -0.15 0.00 0.00 55.06 55.06 2pip s HIS 917 Cb 0.04 -1.53 1.38 0.00 1.11 0.00 0.00 32.58 33.57 2pip s HIS 917 CO 0.90 0.47 1.93 2.41 -0.85 0.00 0.00 174.74 179.60