#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vyy s VAL 1 N 0.00 2.13 -1.36 2.03 1.01 -1.26 -4.87 120.40 118.08 2vyy s VAL 1 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 2vyy s VAL 1 Cb 0.00 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.40 2vyy s VAL 1 CO 0.00 0.02 1.96 -3.20 0.00 0.00 0.00 175.10 173.88 2vyy n ASN 2 N 2.28 4.52 0.23 3.32 2.85 -1.26 -4.74 115.26 122.46 2vyy n ASN 2 Ca 0.08 -2.93 0.07 0.00 -0.11 0.00 0.00 54.58 51.69 2vyy n ASN 2 Cb 0.38 -1.63 0.54 0.00 1.24 0.00 0.00 39.78 40.31 2vyy n ASN 2 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2vyy h TRP 3 N 6.41 0.00 -0.79 1.20 4.06 -1.99 -2.01 115.95 122.82 2vyy h TRP 3 Ca 0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.43 2vyy h TRP 3 Cb 0.71 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.83 2vyy h TRP 3 CO 1.37 0.20 0.50 0.00 -3.56 0.00 0.00 178.44 176.95 2vyy h ALA 4 N 1.80 1.01 -0.31 1.49 0.00 -1.97 0.34 119.26 121.62 2vyy h ALA 4 Ca -0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2vyy h ALA 4 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2vyy h ALA 4 CO 0.03 0.45 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 2vyy h ALA 5 N 1.27 0.62 -0.08 0.00 0.00 -1.81 -1.41 119.26 117.86 2vyy h ALA 5 Ca 0.29 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2vyy h ALA 5 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2vyy h ALA 5 CO -0.06 0.68 0.05 0.28 0.00 0.00 0.00 179.25 180.19 2vyy h VAL 6 N 0.64 1.01 -0.65 0.00 2.07 -1.03 -1.66 116.25 116.62 2vyy h VAL 6 Ca 0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2vyy h VAL 6 Cb 1.03 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2vyy h VAL 6 CO 0.10 0.02 0.40 0.58 0.02 0.00 0.00 177.57 178.69 2vyy h VAL 7 N 0.10 1.19 -0.38 2.57 2.07 -0.84 0.27 116.25 121.22 2vyy h VAL 7 Ca 0.03 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.21 2vyy h VAL 7 Cb -0.00 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 2vyy h VAL 7 CO -0.01 0.19 0.11 0.44 0.02 0.00 0.00 177.57 178.31 2vyy h ASP 8 N 0.89 0.08 -0.34 0.57 3.32 -1.06 -0.57 116.42 119.31 2vyy h ASP 8 Ca 0.24 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2vyy h ASP 8 Cb -0.04 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2vyy h ASP 8 CO -0.05 0.08 0.01 0.44 -1.72 0.00 0.00 179.24 178.00 2vyy h ASP 9 N 0.25 0.66 -0.03 6.45 3.32 -0.75 -1.87 116.42 124.44 2vyy h ASP 9 Ca 0.18 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2vyy h ASP 9 Cb 0.19 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2vyy h ASP 9 CO -0.21 0.72 -0.21 0.15 -1.72 0.00 0.00 179.24 177.97 2vyy h PHE 10 N 0.66 -0.56 -0.33 4.55 3.57 0.27 -0.72 116.94 124.38 2vyy h PHE 10 Ca 0.13 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2vyy h PHE 10 Cb 0.40 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2vyy h PHE 10 CO 0.02 -0.30 -0.10 1.88 -2.23 0.00 0.00 178.31 177.58 2vyy h TYR 11 N -0.32 0.59 -0.08 0.41 0.05 -0.87 0.68 116.97 117.43 2vyy h TYR 11 Ca 0.07 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.77 2vyy h TYR 11 Cb 0.42 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 2vyy h TYR 11 CO -0.27 0.64 0.03 1.96 -1.05 0.00 0.00 178.16 179.46 2vyy h GLN 12 N 0.51 0.06 -0.40 4.88 1.08 -0.97 -0.91 115.11 119.36 2vyy h GLN 12 Ca 0.10 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2vyy h GLN 12 Cb 0.48 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2vyy h GLN 12 CO 0.03 0.04 0.22 0.93 -0.95 0.00 0.00 178.83 179.10 2vyy h GLU 13 N 0.07 0.56 -0.15 1.46 4.39 -0.74 -1.54 114.58 118.63 2vyy h GLU 13 Ca 0.03 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2vyy h GLU 13 Cb 0.02 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2vyy h GLU 13 CO -0.04 0.45 0.07 1.25 -1.16 0.00 0.00 179.01 179.59 2vyy h LEU 14 N 0.52 0.20 0.00 1.33 5.85 -0.68 -2.09 115.31 120.43 2vyy h LEU 14 Ca 0.14 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2vyy h LEU 14 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2vyy h LEU 14 CO -0.02 0.26 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.89 2vyy h PHE 15 N 0.12 0.00 -0.39 1.25 0.04 -1.18 0.00 116.94 116.79 2vyy h PHE 15 Ca 0.05 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 2vyy h PHE 15 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2vyy h PHE 15 CO -0.03 0.17 -0.08 0.87 -0.60 0.00 0.00 178.31 178.64 2vyy h LYS 16 N 0.00 0.74 0.03 1.51 1.57 -1.12 -2.45 116.57 116.85 2vyy h LYS 16 Ca -0.00 -0.28 -0.23 0.00 -1.87 0.00 0.00 60.65 58.27 2vyy h LYS 16 Cb 1.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2vyy h LYS 16 CO 0.02 0.87 -1.11 0.00 -0.57 0.00 0.00 179.45 178.66 2vyy h ALA 17 N 0.84 0.32 -2.13 3.86 0.00 -1.28 -3.40 119.26 117.48 2vyy h ALA 17 Ca 0.10 -0.95 -0.57 0.00 0.00 0.00 0.00 54.91 53.49 2vyy h ALA 17 Cb 0.59 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 17.92 2vyy h ALA 17 CO 0.04 1.21 -1.01 0.72 0.00 0.00 0.00 179.25 180.21 2vyy n HIS 18 N -3.37 0.07 0.10 0.00 8.25 -0.02 -4.99 115.22 115.26 2vyy n HIS 18 Ca -0.03 -3.60 0.12 0.00 -0.26 0.00 0.00 57.72 53.95 2vyy n HIS 18 Cb 0.97 -0.25 0.61 0.00 1.12 0.00 0.00 29.99 32.44 2vyy n HIS 18 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2vyy h PRO 19 N 4.40 0.12 0.00 -0.41 0.11 -1.66 -1.10 132.00 133.46 2vyy h PRO 19 Ca 0.13 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2vyy h PRO 19 Cb 0.86 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 2vyy h PRO 19 CO 0.49 0.08 -0.11 1.05 -0.21 0.00 0.00 178.00 179.30 2vyy h GLU 20 N 0.12 0.00 -0.07 1.05 9.09 -1.94 -1.71 114.58 121.12 2vyy h GLU 20 Ca 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.52 2vyy h GLU 20 Cb 0.38 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.48 2vyy h GLU 20 CO -0.02 0.11 -0.08 1.88 0.05 0.00 0.00 179.01 180.96 2vyy h TYR 21 N 0.00 0.10 0.00 2.06 0.05 -1.56 -2.00 116.97 115.62 2vyy h TYR 21 Ca -0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2vyy h TYR 21 Cb 0.49 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 2vyy h TYR 21 CO 0.00 0.18 -0.14 0.37 -1.05 0.00 0.00 178.16 177.53 2vyy h GLN 22 N 0.10 0.00 0.00 4.88 4.15 -1.45 -2.69 115.11 120.10 2vyy h GLN 22 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2vyy h GLN 22 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2vyy h GLN 22 CO 0.01 0.14 0.00 -0.91 -1.93 0.00 0.00 178.83 176.14 2vyy h ASN 23 N 0.00 0.00 0.30 -0.69 2.35 -1.49 -2.25 115.58 113.80 2vyy h ASN 23 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2vyy h ASN 23 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2vyy h ASN 23 CO 0.02 0.00 -0.04 0.29 -1.65 0.00 0.00 177.43 176.05 2vyy n LYS 24 N -2.88 0.76 -4.00 0.81 5.02 -1.01 -4.80 118.16 112.06 2vyy n LYS 24 Ca -0.01 -0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 55.91 2vyy n LYS 24 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 2vyy n LYS 24 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2vyy s PHE 25 N -2.34 2.72 -0.99 2.13 0.40 -0.85 -5.01 117.98 114.05 2vyy s PHE 25 Ca 0.35 -0.41 0.19 0.00 -0.60 0.00 0.00 56.93 56.45 2vyy s PHE 25 Cb 0.21 -1.76 0.79 0.00 0.51 0.00 0.00 43.02 42.76 2vyy s PHE 25 CO 0.43 0.24 1.60 0.41 0.70 0.00 0.00 175.22 178.60 2vyy n GLY 26 N -1.24 -1.14 1.57 4.36 0.00 -1.26 -1.77 105.19 105.71 2vyy n GLY 26 Ca -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2vyy n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2vyy n PHE 27 N -1.52 1.85 -1.56 1.61 1.16 -1.26 -4.88 117.46 112.85 2vyy n PHE 27 Ca 0.04 -1.23 -0.50 0.00 -1.87 0.00 0.00 57.45 53.89 2vyy n PHE 27 Cb 0.22 -0.57 -0.05 0.00 -1.61 0.00 0.00 39.48 37.47 2vyy n PHE 27 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2vyy n LYS 28 N -0.48 0.96 -0.19 3.97 4.81 -0.73 -2.30 118.16 124.21 2vyy n LYS 28 Ca 0.35 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 2vyy n LYS 28 Cb 1.21 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 34.43 2vyy n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vyy n GLY 29 N 2.04 1.80 3.72 3.14 0.00 -1.26 -5.01 105.19 109.62 2vyy n GLY 29 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2vyy n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vyy s VAL 30 N -2.90 4.68 0.32 1.61 1.01 -0.97 -4.98 120.40 119.17 2vyy s VAL 30 Ca 0.00 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 2vyy s VAL 30 Cb 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 2vyy s VAL 30 CO 0.00 0.27 1.40 0.00 0.00 0.00 0.00 175.10 176.77 2vyy n ALA 31 N 3.18 1.62 -0.27 5.51 0.00 -1.26 -4.87 120.51 124.42 2vyy n ALA 31 Ca 0.02 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.94 2vyy n ALA 31 Cb 0.50 -2.32 0.35 0.00 0.00 0.00 0.00 19.45 17.98 2vyy n ALA 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2vyy h LEU 32 N 3.36 0.71 0.00 0.00 3.38 -1.99 -0.49 115.31 120.28 2vyy h LEU 32 Ca -0.47 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2vyy h LEU 32 Cb 1.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2vyy h LEU 32 CO 0.69 0.38 0.00 0.61 0.09 0.00 0.00 178.44 180.21 2vyy n GLY 33 N -1.42 -1.09 0.45 0.83 0.00 -1.26 -2.73 105.19 99.98 2vyy n GLY 33 Ca 0.16 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2vyy n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vyy n SER 34 N -1.49 1.89 -0.34 1.61 3.41 -0.21 -4.72 113.62 113.77 2vyy n SER 34 Ca 0.04 -1.44 0.09 0.00 -0.26 0.00 0.00 58.87 57.30 2vyy n SER 34 Cb 0.20 0.12 0.28 0.00 -0.26 0.00 0.00 64.21 64.55 2vyy n SER 34 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2vyy h LEU 35 N 2.22 0.85 -1.56 1.04 3.38 -1.34 -0.82 115.31 119.09 2vyy h LEU 35 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vyy h LEU 35 Cb 0.50 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2vyy h LEU 35 CO 0.00 0.43 0.00 0.11 0.09 0.00 0.00 178.44 179.07 2vyy h LYS 36 N 0.90 0.00 -0.64 1.13 1.57 -1.84 -0.52 116.57 117.17 2vyy h LYS 36 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2vyy h LYS 36 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2vyy h LYS 36 CO -0.27 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.02 2vyy n GLY 37 N -0.54 2.06 3.58 3.86 0.00 -0.32 -4.87 105.19 108.97 2vyy n GLY 37 Ca -0.00 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 2vyy n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vyy s ASN 38 N -1.03 5.51 0.20 1.61 3.84 -0.20 -5.01 114.94 119.85 2vyy s ASN 38 Ca 0.44 0.00 -0.09 0.00 0.21 0.00 0.00 52.86 53.42 2vyy s ASN 38 Cb 0.23 -1.96 0.12 0.00 -0.55 0.00 0.00 41.25 39.09 2vyy s ASN 38 CO 0.30 0.11 1.73 0.00 -2.79 0.00 0.00 177.10 176.45 2vyy h ALA 39 N 7.17 0.94 -0.61 1.71 0.00 -1.91 -0.91 119.26 125.66 2vyy h ALA 39 Ca -0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2vyy h ALA 39 Cb 1.17 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2vyy h ALA 39 CO 0.66 0.65 0.32 0.00 0.00 0.00 0.00 179.25 180.87 2vyy h ALA 40 N 1.10 0.78 -0.43 0.00 0.00 -1.94 -2.46 119.26 116.31 2vyy h ALA 40 Ca 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2vyy h ALA 40 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2vyy h ALA 40 CO -0.00 0.31 0.14 -0.92 0.00 0.00 0.00 179.25 178.78 2vyy h TYR 41 N 0.82 0.68 -0.71 0.00 3.20 -1.74 -2.32 116.97 116.90 2vyy h TYR 41 Ca 0.21 -0.06 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2vyy h TYR 41 Cb 0.07 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.08 2vyy h TYR 41 CO -0.01 0.61 0.39 0.87 -1.64 0.00 0.00 178.16 178.39 2vyy h LYS 42 N 0.55 0.68 -0.32 1.82 1.57 -0.91 0.13 116.57 120.10 2vyy h LYS 42 Ca 0.14 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2vyy h LYS 42 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2vyy h LYS 42 CO -0.01 0.45 0.09 1.15 -0.57 0.00 0.00 179.45 180.57 2vyy h THR 43 N 0.70 1.21 -0.32 -0.16 2.02 -1.28 -1.90 112.91 113.19 2vyy h THR 43 Ca 0.33 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 2vyy h THR 43 Cb 0.26 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2vyy h THR 43 CO -0.21 0.23 0.01 1.56 0.37 0.00 0.00 175.52 177.47 2vyy h GLN 44 N 0.35 0.55 -0.88 6.66 1.08 -0.82 -2.00 115.11 120.05 2vyy h GLN 44 Ca 0.10 -0.17 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2vyy h GLN 44 Cb 0.26 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.58 2vyy h GLN 44 CO -0.00 0.68 0.56 0.00 -0.95 0.00 0.00 178.83 179.12 2vyy h ALA 45 N 0.85 1.18 -0.72 3.87 0.00 -0.75 -1.24 119.26 122.45 2vyy h ALA 45 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2vyy h ALA 45 Cb 0.43 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2vyy h ALA 45 CO 0.02 0.37 0.35 0.78 0.00 0.00 0.00 179.25 180.77 2vyy h GLY 46 N 1.06 1.10 1.41 0.00 0.00 -1.12 -0.12 103.07 105.40 2vyy h GLY 46 Ca 0.36 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 2vyy h GLY 46 CO -0.14 0.50 -0.30 0.50 0.00 0.00 0.00 176.54 177.11 2vyy h LYS 47 N 1.03 0.67 -0.27 4.80 1.57 -0.64 -0.65 116.57 123.08 2vyy h LYS 47 Ca 0.25 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2vyy h LYS 47 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2vyy h LYS 47 CO -0.03 0.89 0.05 1.15 -0.57 0.00 0.00 179.45 180.94 2vyy h THR 48 N 0.57 1.23 -0.31 -0.16 2.02 -0.77 -0.50 112.91 115.00 2vyy h THR 48 Ca 0.07 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.54 2vyy h THR 48 Cb 0.80 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 2vyy h THR 48 CO 0.07 0.25 0.03 0.58 0.37 0.00 0.00 175.52 176.82 2vyy h VAL 49 N 0.27 0.82 -0.62 3.16 2.07 -0.88 -1.30 116.25 119.77 2vyy h VAL 49 Ca 0.08 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.63 2vyy h VAL 49 Cb 0.32 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2vyy h VAL 49 CO 0.00 0.02 0.29 0.44 0.02 0.00 0.00 177.57 178.35 2vyy h ASP 50 N 0.13 0.38 -0.59 0.57 3.32 -0.87 -0.38 116.42 118.98 2vyy h ASP 50 Ca 0.15 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2vyy h ASP 50 Cb 0.17 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2vyy h ASP 50 CO -0.21 0.24 0.37 0.22 -1.72 0.00 0.00 179.24 178.14 2vyy h TYR 51 N 0.53 0.70 -0.40 4.55 3.20 -0.56 0.17 116.97 125.16 2vyy h TYR 51 Ca 0.29 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2vyy h TYR 51 Cb 0.27 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2vyy h TYR 51 CO -0.12 0.42 0.20 0.82 -1.64 0.00 0.00 178.16 177.84 2vyy h ILE 52 N 0.75 1.17 -0.39 1.81 2.04 -0.57 0.66 117.51 122.97 2vyy h ILE 52 Ca 0.23 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2vyy h ILE 52 Cb -0.03 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2vyy h ILE 52 CO -0.08 0.18 0.02 0.78 0.00 0.00 0.00 178.15 179.06 2vyy h ASN 53 N 0.51 0.58 -0.52 1.72 -0.26 -0.75 -1.48 115.58 115.39 2vyy h ASN 53 Ca 0.14 -0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 2vyy h ASN 53 Cb 0.10 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 2vyy h ASN 53 CO -0.02 0.63 0.10 0.00 -1.06 0.00 0.00 177.43 177.08 2vyy h ALA 54 N 1.44 0.68 -0.30 -0.83 0.00 -0.14 -0.15 119.26 119.97 2vyy h ALA 54 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2vyy h ALA 54 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2vyy h ALA 54 CO 0.01 0.40 0.12 2.35 0.00 0.00 0.00 179.25 182.13 2vyy h TRP 55 N 0.73 0.46 -0.87 0.00 7.01 -0.45 0.31 115.95 123.14 2vyy h TRP 55 Ca 0.16 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 2vyy h TRP 55 Cb 0.37 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 2vyy h TRP 55 CO 0.03 0.45 0.49 0.82 -2.79 0.00 0.00 178.44 177.43 2vyy h ILE 56 N 0.34 1.25 0.00 2.65 2.04 -1.24 -2.70 117.51 119.86 2vyy h ILE 56 Ca 0.10 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2vyy h ILE 56 Cb 0.18 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2vyy h ILE 56 CO -0.01 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.03 2vyy n GLY 57 N -1.15 -1.29 0.50 5.37 0.00 -0.07 -4.91 105.19 103.64 2vyy n GLY 57 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2vyy n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vyy n GLY 58 N 1.03 0.78 0.33 -0.02 0.00 -0.24 -4.97 105.19 102.09 2vyy n GLY 58 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 2vyy n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vyy n SER 59 N 0.00 2.21 -4.76 1.61 3.41 -0.07 -5.01 113.62 111.02 2vyy n SER 59 Ca 0.00 -1.77 -0.41 0.00 -0.26 0.00 0.00 58.87 56.43 2vyy n SER 59 Cb 0.00 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 2vyy n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vyy s ALA 60 N -0.85 3.56 -1.07 7.33 0.00 -1.09 -4.89 121.76 124.74 2vyy s ALA 60 Ca 0.11 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 2vyy s ALA 60 Cb 0.06 -3.53 0.28 0.00 0.00 0.00 0.00 23.12 19.93 2vyy s ALA 60 CO 0.09 -0.75 1.15 -3.47 0.00 0.00 0.00 175.76 172.77 2vyy n ASP 61 N 1.29 5.51 -0.28 0.00 2.03 -1.26 -4.89 116.55 118.95 2vyy n ASP 61 Ca 0.03 -3.15 -0.06 0.00 0.52 0.00 0.00 54.79 52.12 2vyy n ASP 61 Cb 0.41 -1.29 0.06 0.00 -0.72 0.00 0.00 41.12 39.58 2vyy n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2vyy h ALA 62 N 6.21 1.01 -0.45 -1.67 0.00 -1.92 -0.16 119.26 122.29 2vyy h ALA 62 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2vyy h ALA 62 Cb 0.80 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2vyy h ALA 62 CO 1.06 0.67 0.27 0.00 0.00 0.00 0.00 179.25 181.25 2vyy h ALA 63 N 1.15 0.57 -0.37 0.00 0.00 -1.90 0.51 119.26 119.22 2vyy h ALA 63 Ca 0.25 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2vyy h ALA 63 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2vyy h ALA 63 CO -0.01 -0.04 -0.16 0.78 0.00 0.00 0.00 179.25 179.82 2vyy h GLY 64 N 0.54 0.83 0.94 0.00 0.00 -1.85 -0.02 103.07 103.50 2vyy h GLY 64 Ca 0.18 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 2vyy h GLY 64 CO -0.08 0.66 0.16 -2.00 0.00 0.00 0.00 176.54 175.29 2vyy h LEU 65 N 0.56 0.51 -0.25 3.11 5.85 -0.89 -1.46 115.31 122.74 2vyy h LEU 65 Ca 0.09 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2vyy h LEU 65 Cb 0.70 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2vyy h LEU 65 CO 0.05 0.53 -0.01 0.00 -0.34 0.00 0.00 178.44 178.68 2vyy h ALA 66 N 1.00 0.22 -0.99 1.25 0.00 -0.74 -1.55 119.26 118.45 2vyy h ALA 66 Ca 0.13 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2vyy h ALA 66 Cb 0.17 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2vyy h ALA 66 CO -0.01 -0.42 0.65 1.03 0.00 0.00 0.00 179.25 180.50 2vyy h SER 67 N 0.07 1.11 -0.30 0.00 0.87 -0.77 -0.17 113.55 114.37 2vyy h SER 67 Ca 0.12 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2vyy h SER 67 Cb 0.16 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2vyy h SER 67 CO -0.21 0.79 -0.23 0.03 -0.53 0.00 0.00 176.83 176.69 2vyy h ARG 68 N 1.31 0.79 -0.42 2.24 3.08 -1.02 -1.05 114.38 119.31 2vyy h ARG 68 Ca 0.37 -0.32 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 2vyy h ARG 68 Cb -0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2vyy h ARG 68 CO -0.09 0.94 -0.25 0.45 -1.07 0.00 0.00 179.97 179.95 2vyy h HIS 69 N 0.69 1.00 -0.56 3.04 3.86 -0.72 -2.42 115.15 120.03 2vyy h HIS 69 Ca 0.09 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2vyy h HIS 69 Cb 0.75 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 2vyy h HIS 69 CO 0.04 1.02 0.37 0.87 0.86 0.00 0.00 177.93 181.09 2vyy h LYS 70 N 0.74 0.63 0.00 2.45 1.57 -0.73 0.76 116.57 121.99 2vyy h LYS 70 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2vyy h LYS 70 Cb 0.80 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2vyy h LYS 70 CO 0.07 0.41 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 2vyy n GLY 71 N -1.47 -0.80 0.57 3.86 0.00 -0.42 -1.28 105.19 105.65 2vyy n GLY 71 Ca 0.07 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2vyy n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vyy n ARG 72 N -1.69 2.55 -4.03 1.61 5.12 0.10 -4.97 116.66 115.35 2vyy n ARG 72 Ca 0.01 -2.50 -0.32 0.00 -1.93 0.00 0.00 57.85 53.12 2vyy n ARG 72 Cb 0.09 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 2vyy n ARG 72 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2vyy n ASN 73 N -0.52 -3.49 -4.47 0.55 3.02 -0.40 -5.00 115.26 104.94 2vyy n ASN 73 Ca 0.16 -0.90 -0.35 0.00 -0.03 0.00 0.00 54.58 53.46 2vyy n ASN 73 Cb 0.68 -3.35 -0.12 0.00 -0.61 0.00 0.00 39.78 36.38 2vyy n ASN 73 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vyy s VAL 74 N -3.39 4.06 0.00 2.41 1.01 -0.27 -5.01 120.40 119.20 2vyy s VAL 74 Ca 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2vyy s VAL 74 Cb -0.31 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2vyy s VAL 74 CO 0.88 0.43 0.00 0.61 0.00 0.00 0.00 175.10 177.02 2vyy n GLY 75 N 4.14 5.99 0.34 4.51 0.00 -1.26 -3.16 105.19 115.75 2vyy n GLY 75 Ca -0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 2vyy n GLY 75 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vyy h SER 76 N 0.00 1.07 -0.34 1.61 4.64 -1.97 -2.01 113.55 116.55 2vyy h SER 76 Ca 0.00 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2vyy h SER 76 Cb 0.00 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 2vyy h SER 76 CO 0.00 0.96 0.21 0.00 -0.87 0.00 0.00 176.83 177.12 2vyy h ALA 77 N 1.19 0.43 -0.56 5.18 0.00 -1.96 0.29 119.26 123.84 2vyy h ALA 77 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2vyy h ALA 77 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2vyy h ALA 77 CO -0.02 -0.14 0.18 0.93 0.00 0.00 0.00 179.25 180.21 2vyy h GLU 78 N 0.43 0.86 -0.20 0.00 3.07 -1.89 -1.72 114.58 115.13 2vyy h GLU 78 Ca 0.13 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.70 2vyy h GLU 78 Cb -0.01 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 2vyy h GLU 78 CO -0.05 0.77 -0.36 0.74 -1.40 0.00 0.00 179.01 178.71 2vyy h PHE 79 N 0.77 0.49 -0.49 4.33 0.04 -0.93 0.15 116.94 121.31 2vyy h PHE 79 Ca 0.18 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 2vyy h PHE 79 Cb 0.27 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 2vyy h PHE 79 CO 0.02 0.73 0.30 0.45 -0.60 0.00 0.00 178.31 179.21 2vyy h HIS 80 N 0.36 0.64 -0.85 -0.55 3.86 -0.24 0.02 115.15 118.38 2vyy h HIS 80 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2vyy h HIS 80 Cb 0.81 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2vyy h HIS 80 CO 0.02 0.43 0.53 -0.91 0.86 0.00 0.00 177.93 178.86 2vyy h ASN 81 N 0.66 1.01 -0.70 2.45 -0.26 -0.78 -2.85 115.58 115.10 2vyy h ASN 81 Ca 0.18 -0.05 -0.07 0.00 -0.56 0.00 0.00 56.30 55.80 2vyy h ASN 81 Cb -0.03 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 36.95 2vyy h ASN 81 CO -0.03 0.76 0.16 0.00 -1.06 0.00 0.00 177.43 177.25 2vyy h ALA 82 N 1.41 0.92 -0.49 -0.83 0.00 -0.30 -2.77 119.26 117.21 2vyy h ALA 82 Ca 0.31 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2vyy h ALA 82 Cb -0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.36 2vyy h ALA 82 CO -0.06 0.66 -0.06 -0.22 0.00 0.00 0.00 179.25 179.57 2vyy h LYS 83 N 1.06 0.05 -0.58 0.00 3.64 -0.76 0.14 116.57 120.13 2vyy h LYS 83 Ca 0.22 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2vyy h LYS 83 Cb 0.39 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 2vyy h LYS 83 CO 0.00 0.03 0.31 0.00 -2.27 0.00 0.00 179.45 177.53 2vyy h ALA 84 N 1.46 0.74 -0.44 5.00 0.00 -1.46 -1.33 119.26 123.24 2vyy h ALA 84 Ca 0.24 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2vyy h ALA 84 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2vyy h ALA 84 CO -0.46 0.26 -0.16 0.00 0.00 0.00 0.00 179.25 178.89 2vyy h LEU 86 N 0.74 0.49 -0.56 0.00 5.85 -0.58 -1.30 115.31 119.95 2vyy h LEU 86 Ca 0.11 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2vyy h LEU 86 Cb 0.68 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2vyy h LEU 86 CO 0.05 0.91 0.19 0.00 -0.34 0.00 0.00 178.44 179.25 2vyy h ALA 87 N 1.10 0.73 -0.12 1.25 0.00 -1.15 0.64 119.26 121.73 2vyy h ALA 87 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2vyy h ALA 87 Cb 1.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2vyy h ALA 87 CO 0.09 0.38 -0.03 0.87 0.00 0.00 0.00 179.25 180.55 2vyy h LYS 88 N 0.78 -0.01 -0.80 0.00 1.57 -1.22 -1.26 116.57 115.62 2vyy h LYS 88 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2vyy h LYS 88 Cb 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2vyy h LYS 88 CO -0.01 -0.00 0.51 0.00 -0.57 0.00 0.00 179.45 179.38 2vyy h ALA 89 N 1.11 1.02 -0.08 3.86 0.00 -0.94 -0.80 119.26 123.43 2vyy h ALA 89 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2vyy h ALA 89 Cb 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2vyy h ALA 89 CO -0.12 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.60 2vyy h SER 91 N -0.11 1.00 0.33 0.00 0.87 -1.04 -0.28 113.55 114.33 2vyy h SER 91 Ca 0.02 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2vyy h SER 91 Cb 0.27 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2vyy h SER 91 CO 0.00 0.70 -0.01 0.00 -0.53 0.00 0.00 176.83 176.98 2vyy h ALA 92 N 1.46 1.06 -0.14 6.23 0.00 -1.03 -2.61 119.26 124.23 2vyy h ALA 92 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2vyy h ALA 92 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2vyy h ALA 92 CO -0.10 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.89 2vyy n HIS 93 N -3.19 0.18 -3.02 0.00 8.25 -0.35 -4.98 115.22 112.12 2vyy n HIS 93 Ca -0.02 -0.26 -0.22 0.00 -0.26 0.00 0.00 57.72 56.96 2vyy n HIS 93 Cb 0.16 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.28 2vyy n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vyy n GLY 94 N 0.37 -0.52 3.93 -1.41 0.00 -0.69 -4.99 105.19 101.87 2vyy n GLY 94 Ca 0.07 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2vyy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vyy s ALA 95 N -3.17 3.95 0.44 4.61 0.00 -0.26 -5.02 121.76 122.30 2vyy s ALA 95 Ca 0.30 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 2vyy s ALA 95 Cb -0.13 -1.87 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 2vyy s ALA 95 CO 0.37 0.66 1.11 -2.30 0.00 0.00 0.00 175.76 175.60 2vyy n PRO 96 N -0.14 1.52 -2.26 0.00 -0.02 -1.26 -4.44 135.00 128.39 2vyy n PRO 96 Ca -0.05 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 2vyy n PRO 96 Cb 0.52 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 2vyy n PRO 96 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2vyy s ASP 97 N -0.72 6.71 -0.17 2.55 -1.08 -1.26 -4.90 116.67 117.79 2vyy s ASP 97 Ca 0.64 2.45 0.16 0.00 -0.52 0.00 0.00 52.55 55.28 2vyy s ASP 97 Cb -0.52 -2.63 0.58 0.00 -1.46 0.00 0.00 42.92 38.89 2vyy s ASP 97 CO 0.56 -0.55 1.48 0.18 0.52 0.00 0.00 175.17 177.36 2vyy n LEU 98 N 0.49 4.22 -0.18 -1.34 4.77 -1.26 -4.70 117.00 118.99 2vyy n LEU 98 Ca 0.02 -2.88 0.09 0.00 -0.03 0.00 0.00 56.01 53.21 2vyy n LEU 98 Cb 0.45 -0.55 0.40 0.00 -2.33 0.00 0.00 43.42 41.39 2vyy n LEU 98 CO 0.54 0.68 1.21 1.23 -1.33 0.00 0.00 177.39 179.72 2vyy h GLY 99 N 2.37 0.91 1.60 -0.72 0.00 -1.92 -0.54 103.07 104.77 2vyy h GLY 99 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2vyy h GLY 99 CO 0.26 0.16 -0.20 0.45 0.00 0.00 0.00 176.54 177.21 2vyy h HIS 100 N 0.65 0.51 -0.37 5.60 3.86 -1.99 0.17 115.15 123.58 2vyy h HIS 100 Ca 0.33 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 2vyy h HIS 100 Cb 0.44 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2vyy h HIS 100 CO -0.00 0.64 0.16 0.00 0.86 0.00 0.00 177.93 179.59 2vyy h ALA 101 N 1.37 0.48 -0.56 2.45 0.00 -1.47 -0.44 119.26 121.09 2vyy h ALA 101 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2vyy h ALA 101 Cb 0.59 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2vyy h ALA 101 CO 0.04 0.07 0.01 0.82 0.00 0.00 0.00 179.25 180.18 2vyy h ILE 102 N 0.46 1.26 -0.95 0.00 1.08 -1.13 -2.32 117.51 115.91 2vyy h ILE 102 Ca 0.13 -1.11 0.04 0.00 -0.39 0.00 0.00 64.86 63.53 2vyy h ILE 102 Cb 0.16 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 34.73 2vyy h ILE 102 CO -0.01 0.40 0.62 0.44 -0.69 0.00 0.00 178.15 178.91 2vyy h ASP 103 N 0.86 1.02 -0.64 1.72 3.32 -0.42 0.75 116.42 123.03 2vyy h ASP 103 Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2vyy h ASP 103 Cb 0.53 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 2vyy h ASP 103 CO 0.03 0.68 0.41 0.44 -1.72 0.00 0.00 179.24 179.08 2vyy h ASP 104 N 1.17 0.75 -0.41 6.45 3.32 -0.76 -0.13 116.42 126.82 2vyy h ASP 104 Ca 0.39 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 2vyy h ASP 104 Cb 0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2vyy h ASP 104 CO -0.13 0.57 -0.01 0.40 -1.72 0.00 0.00 179.24 178.35 2vyy h ILE 105 N 0.87 1.26 -0.30 0.35 2.04 -0.87 -2.93 117.51 117.93 2vyy h ILE 105 Ca 0.23 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 65.12 2vyy h ILE 105 Cb -0.06 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2vyy h ILE 105 CO -0.05 0.35 0.21 -0.07 0.00 0.00 0.00 178.15 178.59 2vyy h LEU 106 N 0.56 0.15 -0.62 1.44 3.38 -0.42 -1.46 115.31 118.34 2vyy h LEU 106 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2vyy h LEU 106 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2vyy h LEU 106 CO 0.02 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 2vyy n SER 107 N -4.48 0.41 -0.63 -0.43 3.41 -0.10 -1.38 113.62 110.42 2vyy n SER 107 Ca 0.03 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.33 2vyy n SER 107 Cb 0.26 -0.71 0.13 0.00 -0.26 0.00 0.00 64.21 63.63 2vyy n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2vyy n HIS 108 N -1.99 0.33 0.50 7.33 8.25 -0.56 -5.12 115.22 123.97 2vyy n HIS 108 Ca 0.01 -0.32 0.06 0.00 -0.26 0.00 0.00 57.72 57.21 2vyy n HIS 108 Cb 0.14 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.29 2vyy n HIS 108 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26