#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1y s ILE 4 N 0.00 4.62 0.00 2.52 1.01 -1.26 -4.88 121.20 123.20 1x1y s ILE 4 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1x1y s ILE 4 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1x1y s ILE 4 CO 0.00 -0.35 0.93 -0.46 0.00 0.00 0.00 174.94 175.07 1x1y n ASN 5 N 5.02 0.00 -4.87 3.58 6.94 -1.26 -4.78 115.26 119.88 1x1y n ASN 5 Ca -0.11 -1.87 -0.21 0.00 -0.02 0.00 0.00 54.58 52.36 1x1y n ASN 5 Cb 0.45 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.66 1x1y n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1y s THR 6 N 0.00 4.32 0.11 5.53 -4.23 -1.26 -0.35 115.64 119.76 1x1y s THR 6 Ca 0.00 -1.30 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 1x1y s THR 6 Cb 0.00 -3.42 -0.10 0.00 1.34 0.00 0.00 72.50 70.32 1x1y s THR 6 CO 0.00 -0.29 1.61 -0.26 -0.54 0.00 0.00 174.62 175.14 1x1y h PHE 7 N 1.33 -0.92 -0.69 3.99 0.04 -1.98 -0.23 116.94 118.48 1x1y h PHE 7 Ca -0.48 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.25 1x1y h PHE 7 Cb 1.24 0.38 -0.03 0.00 2.20 0.00 0.00 35.95 39.74 1x1y h PHE 7 CO 0.52 -0.46 0.20 0.22 -0.60 0.00 0.00 178.31 178.20 1x1y h ASP 8 N -0.61 1.02 -0.14 2.17 -0.00 -1.98 -1.31 116.42 115.56 1x1y h ASP 8 Ca 0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.03 56.81 1x1y h ASP 8 Cb 0.61 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.67 1x1y h ASP 8 CO -0.15 0.97 0.01 1.23 -0.00 0.00 0.00 179.24 181.29 1x1y h GLY 9 N 1.02 0.26 1.49 -0.78 0.00 -1.94 -1.02 103.07 102.11 1x1y h GLY 9 Ca 0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1x1y h GLY 9 CO -0.00 0.17 -0.44 -2.08 0.00 0.00 0.00 176.54 174.19 1x1y h VAL 10 N -0.01 1.31 -0.23 4.60 2.07 -1.05 -1.28 116.25 121.67 1x1y h VAL 10 Ca 0.04 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1x1y h VAL 10 Cb 0.35 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1x1y h VAL 10 CO 0.01 0.51 0.11 0.00 0.02 0.00 0.00 177.57 178.22 1x1y h ALA 11 N 1.07 0.29 -0.77 1.67 0.00 -1.20 0.15 119.26 120.47 1x1y h ALA 11 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1x1y h ALA 11 Cb 0.95 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1x1y h ALA 11 CO 0.08 -0.15 0.47 0.22 0.00 0.00 0.00 179.25 179.87 1x1y h ASP 12 N 0.23 0.92 -0.15 0.00 1.82 -1.08 -0.49 116.42 117.68 1x1y h ASP 12 Ca 0.08 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.63 1x1y h ASP 12 Cb 0.12 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.89 1x1y h ASP 12 CO -0.01 0.71 -0.02 0.22 -1.61 0.00 0.00 179.24 178.54 1x1y h TYR 13 N 1.05 0.30 -0.36 0.28 5.03 -0.91 -1.49 116.97 120.86 1x1y h TYR 13 Ca 0.28 -0.06 0.05 0.00 2.58 0.00 0.00 58.73 61.57 1x1y h TYR 13 Cb -0.04 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.12 1x1y h TYR 13 CO -0.01 0.52 0.11 -0.07 -1.32 0.00 0.00 178.16 177.39 1x1y h LEU 14 N -0.01 0.09 -0.92 2.82 3.38 -0.49 0.19 115.31 120.37 1x1y h LEU 14 Ca 0.04 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1x1y h LEU 14 Cb 0.41 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1x1y h LEU 14 CO 0.01 0.09 0.60 1.56 0.09 0.00 0.00 178.44 180.79 1x1y h GLN 15 N 0.25 1.13 0.01 1.13 4.20 -0.99 0.50 115.11 121.33 1x1y h GLN 15 Ca 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1x1y h GLN 15 Cb 0.16 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1x1y h GLN 15 CO -0.19 0.75 -0.00 1.15 -0.67 0.00 0.00 178.83 179.87 1x1y h THR 16 N 1.16 1.60 0.00 -0.54 2.02 -0.69 -3.38 112.91 113.08 1x1y h THR 16 Ca 0.37 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1x1y h THR 16 Cb 0.00 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1x1y h THR 16 CO -0.12 0.51 -1.16 -1.22 0.37 0.00 0.00 175.52 173.90 1x1y n TYR 17 N -4.67 0.36 -3.51 3.16 4.01 0.62 -4.98 117.16 112.14 1x1y n TYR 17 Ca -0.09 0.11 -0.21 0.00 -0.16 0.00 0.00 57.90 57.54 1x1y n TYR 17 Cb 0.41 -0.54 0.08 0.00 -0.31 0.00 0.00 39.34 38.98 1x1y n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1y n HIS 18 N -2.14 -2.61 -3.55 -0.72 8.25 0.17 -4.98 115.22 109.65 1x1y n HIS 18 Ca 0.01 0.97 -0.07 0.00 -0.26 0.00 0.00 57.72 58.37 1x1y n HIS 18 Cb 0.48 -4.96 -0.02 0.00 1.12 0.00 0.00 29.99 26.60 1x1y n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1y s LYS 19 N -5.98 0.56 0.66 -0.41 -2.85 -1.25 -5.07 119.74 105.40 1x1y s LYS 19 Ca 0.39 -0.16 -0.11 0.00 -1.00 0.00 0.00 55.97 55.10 1x1y s LYS 19 Cb -0.17 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.84 1x1y s LYS 19 CO 0.71 -0.24 1.05 -0.51 0.10 0.00 0.00 175.35 176.46 1x1y s LEU 20 N -2.13 3.16 0.98 2.77 1.43 -1.26 -3.95 118.68 119.67 1x1y s LEU 20 Ca 0.06 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 1x1y s LEU 20 Cb -0.01 -4.45 0.18 0.00 0.03 0.00 0.00 46.19 41.94 1x1y s LEU 20 CO -0.06 -1.15 1.09 -2.84 0.23 0.00 0.00 176.35 173.62 1x1y s PRO 21 N -5.13 0.55 0.43 1.29 0.02 -1.26 -4.89 135.00 126.01 1x1y s PRO 21 Ca 0.56 1.13 0.30 0.00 0.02 0.00 0.00 61.00 63.01 1x1y s PRO 21 Cb -0.12 -1.70 1.50 0.00 0.02 0.00 0.00 34.50 34.19 1x1y s PRO 21 CO 0.54 -2.81 1.90 0.22 -0.33 0.00 0.00 177.00 176.52 1x1y h ASP 22 N -1.98 0.00 -0.07 2.53 3.58 -1.96 -2.97 116.42 115.56 1x1y h ASP 22 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1x1y h ASP 22 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1x1y h ASP 22 CO 0.48 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.38 1x1y n ASN 23 N -2.58 0.37 -4.59 2.28 6.94 -1.26 -4.84 115.26 111.56 1x1y n ASN 23 Ca -0.01 -1.98 -0.32 0.00 -0.02 0.00 0.00 54.58 52.25 1x1y n ASN 23 Cb 0.12 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 1x1y n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1y s TYR 24 N -1.91 2.89 -0.02 -2.53 2.02 -1.12 -0.94 117.35 115.74 1x1y s TYR 24 Ca 0.06 -0.03 -0.04 0.00 -0.37 0.00 0.00 57.07 56.68 1x1y s TYR 24 Cb 0.03 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1x1y s TYR 24 CO 0.04 0.37 0.10 0.96 -1.57 0.00 0.00 175.55 175.44 1x1y s ILE 25 N -0.98 0.04 1.07 2.71 -4.36 -0.55 -4.90 121.20 114.22 1x1y s ILE 25 Ca 0.17 -0.29 -0.12 0.00 -0.26 0.00 0.00 60.65 60.14 1x1y s ILE 25 Cb -0.11 -0.24 0.23 0.00 1.25 0.00 0.00 42.46 43.59 1x1y s ILE 25 CO 0.07 -0.16 1.06 0.42 0.24 0.00 0.00 174.94 176.57 1x1y s THR 26 N -0.50 2.08 0.17 8.37 -4.23 -1.15 -1.14 115.64 119.24 1x1y s THR 26 Ca -0.06 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.35 1x1y s THR 26 Cb -0.04 -2.30 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1x1y s THR 26 CO 0.00 -0.04 1.76 0.11 -0.54 0.00 0.00 174.62 175.92 1x1y h LYS 27 N -2.23 0.84 -0.45 3.99 1.57 -1.97 -0.93 116.57 117.40 1x1y h LYS 27 Ca -0.57 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.03 1x1y h LYS 27 Cb 1.33 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1x1y h LYS 27 CO 0.53 0.67 0.02 0.66 -0.57 0.00 0.00 179.45 180.77 1x1y h SER 28 N 0.80 0.68 0.04 0.86 4.64 -1.98 0.99 113.55 119.57 1x1y h SER 28 Ca 0.20 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1x1y h SER 28 Cb 0.10 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1x1y h SER 28 CO -0.03 0.74 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.32 1x1y h GLU 29 N 0.68 -0.05 -0.75 4.77 5.08 -1.79 -1.23 114.58 121.29 1x1y h GLU 29 Ca 0.14 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1x1y h GLU 29 Cb 0.39 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1x1y h GLU 29 CO 0.01 0.16 0.48 0.00 -1.00 0.00 0.00 179.01 178.66 1x1y h ALA 30 N 0.71 0.98 -0.57 3.43 0.00 -0.94 -2.08 119.26 120.80 1x1y h ALA 30 Ca -0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1x1y h ALA 30 Cb 0.22 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1x1y h ALA 30 CO 0.01 0.31 0.22 0.37 0.00 0.00 0.00 179.25 180.15 1x1y h GLN 31 N 0.96 0.40 -0.84 0.00 -0.00 -0.56 -1.36 115.11 113.71 1x1y h GLN 31 Ca 0.29 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.95 1x1y h GLN 31 Cb -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 27.48 27.31 1x1y h GLN 31 CO -0.09 0.26 0.55 0.00 0.00 0.00 0.00 178.83 179.55 1x1y h ALA 32 N 1.38 1.47 0.00 3.38 0.00 -0.53 -0.60 119.26 124.36 1x1y h ALA 32 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x1y h ALA 32 Cb 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1x1y h ALA 32 CO -0.27 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1x1y n LEU 33 N -4.44 0.00 0.00 0.00 7.99 -0.61 -4.82 117.00 115.13 1x1y n LEU 33 Ca 0.11 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.31 1x1y n LEU 33 Cb 0.10 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1x1y n LEU 33 CO 0.35 -0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.76 1x1y n GLY 34 N 0.28 1.36 3.72 -0.72 0.00 -0.24 -4.83 105.19 104.75 1x1y n GLY 34 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1x1y n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1y s TRP 35 N -2.00 3.61 -0.30 1.61 -0.00 -0.63 -4.95 118.94 116.28 1x1y s TRP 35 Ca 0.00 1.58 -0.01 0.00 -0.00 0.00 0.00 56.10 57.67 1x1y s TRP 35 Cb 0.00 -3.23 0.09 0.00 -0.00 0.00 0.00 33.47 30.33 1x1y s TRP 35 CO 0.00 -0.49 0.08 0.08 -0.00 0.00 0.00 176.95 176.63 1x1y s VAL 36 N 0.48 0.90 0.21 5.86 1.01 -1.26 -4.52 120.40 123.07 1x1y s VAL 36 Ca 0.52 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1x1y s VAL 36 Cb -0.26 -1.63 0.20 0.00 0.00 0.00 0.00 36.38 34.69 1x1y s VAL 36 CO 0.31 -0.60 1.42 0.00 0.00 0.00 0.00 175.10 176.22 1x1y n ALA 37 N 4.85 -0.15 0.04 5.51 0.00 -1.26 0.57 120.51 130.08 1x1y n ALA 37 Ca -0.03 0.90 0.01 0.00 0.00 0.00 0.00 53.44 54.32 1x1y n ALA 37 Cb 0.43 -0.39 0.03 0.00 0.00 0.00 0.00 19.45 19.51 1x1y n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x1y n SER 38 N -5.33 0.00 -0.46 0.00 3.41 -1.26 -0.61 113.62 109.36 1x1y n SER 38 Ca 0.09 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 1x1y n SER 38 Cb 0.36 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1x1y n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x1y n LYS 39 N -1.45 1.58 -4.22 4.33 5.02 0.19 -5.00 118.16 118.62 1x1y n LYS 39 Ca 0.00 -1.00 -0.34 0.00 -2.02 0.00 0.00 58.31 54.95 1x1y n LYS 39 Cb 0.01 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1x1y n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1y n GLY 40 N 1.16 -0.30 0.67 0.72 0.00 0.22 -4.86 105.19 102.80 1x1y n GLY 40 Ca 0.08 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.36 1x1y n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1y n ASN 41 N -2.74 2.55 -0.04 1.61 6.94 -1.26 -3.66 115.26 118.66 1x1y n ASN 41 Ca -0.28 -3.46 -0.08 0.00 -0.02 0.00 0.00 54.58 50.74 1x1y n ASN 41 Cb 0.67 -0.54 -0.03 0.00 -2.36 0.00 0.00 39.78 37.53 1x1y n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1y h LEU 42 N 0.89 -0.25 -1.82 -4.53 5.85 -1.89 0.33 115.31 113.89 1x1y h LEU 42 Ca 0.06 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1x1y h LEU 42 Cb 1.28 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1x1y h LEU 42 CO 0.15 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.16 1x1y h ALA 43 N 1.16 1.00 0.24 1.25 0.00 -1.85 0.64 119.26 121.69 1x1y h ALA 43 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 1x1y h ALA 43 Cb 0.19 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.01 1x1y h ALA 43 CO -0.23 0.00 -1.55 -0.44 0.00 0.00 0.00 179.25 177.04 1x1y h ASP 44 N 0.00 0.79 0.53 0.00 3.32 -1.31 -2.91 116.42 116.85 1x1y h ASP 44 Ca 0.00 -0.91 -0.10 0.00 0.02 0.00 0.00 57.03 56.03 1x1y h ASP 44 Cb 0.18 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1x1y h ASP 44 CO 0.00 1.73 -1.56 1.33 -1.72 0.00 0.00 179.24 179.02 1x1y n VAL 45 N -3.69 0.76 -3.26 -1.35 0.24 -0.71 -4.64 118.33 105.69 1x1y n VAL 45 Ca -0.19 -0.62 -0.24 0.00 -2.04 0.00 0.00 64.34 61.25 1x1y n VAL 45 Cb 1.10 -0.41 -0.08 0.00 -1.47 0.00 0.00 33.84 32.98 1x1y n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1y n ALA 46 N -2.34 2.31 -1.71 2.33 0.00 0.22 -4.98 120.51 116.35 1x1y n ALA 46 Ca -0.08 -3.05 -0.43 0.00 0.00 0.00 0.00 53.44 49.88 1x1y n ALA 46 Cb 0.73 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 1x1y n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1y n PRO 47 N 2.27 2.23 -1.06 0.00 -0.02 -1.10 -2.06 135.00 135.26 1x1y n PRO 47 Ca 0.25 0.78 -0.02 0.00 -2.02 0.00 0.00 63.50 62.50 1x1y n PRO 47 Cb 0.51 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1x1y n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1y n GLY 48 N 1.02 0.49 3.72 -1.23 0.00 -1.26 -5.01 105.19 102.91 1x1y n GLY 48 Ca 0.05 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1x1y n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1y s LYS 49 N -1.26 2.57 0.04 1.61 -0.14 -0.88 -4.76 119.74 116.93 1x1y s LYS 49 Ca 0.00 -1.18 0.02 0.00 -1.36 0.00 0.00 55.97 53.45 1x1y s LYS 49 Cb 0.00 -2.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 1x1y s LYS 49 CO 0.00 0.41 -0.07 -1.12 -0.76 0.00 0.00 175.35 173.81 1x1y s SER 50 N -3.48 0.79 0.14 2.83 0.01 -0.11 -4.78 113.70 109.10 1x1y s SER 50 Ca 0.31 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 1x1y s SER 50 Cb -0.08 0.05 -0.08 0.00 0.21 0.00 0.00 66.02 66.13 1x1y s SER 50 CO 0.21 -0.25 1.25 -0.63 0.41 0.00 0.00 173.24 174.23 1x1y s ILE 51 N -1.66 3.58 0.00 1.44 -1.09 -1.26 -1.48 121.20 120.73 1x1y s ILE 51 Ca -0.08 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1x1y s ILE 51 Cb -0.08 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1x1y s ILE 51 CO -0.01 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.47 1x1y n GLY 52 N 2.70 0.90 0.00 6.18 0.00 -0.29 -0.57 105.19 114.11 1x1y n GLY 52 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1x1y n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1y n GLY 53 N -0.01 0.49 3.78 -0.02 0.00 0.89 -2.94 105.19 107.38 1x1y n GLY 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x1y n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1y s ASP 54 N -1.98 5.69 0.34 1.61 1.01 -1.21 -4.73 116.67 117.40 1x1y s ASP 54 Ca 0.00 2.14 -0.29 0.00 0.71 0.00 0.00 52.55 55.11 1x1y s ASP 54 Cb 0.00 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.25 1x1y s ASP 54 CO 0.00 -1.24 1.37 -0.63 0.21 0.00 0.00 175.17 174.88 1x1y s ILE 55 N -1.86 2.48 -0.26 0.77 1.01 -1.26 -1.44 121.20 120.63 1x1y s ILE 55 Ca 0.72 0.48 -0.01 0.00 0.00 0.00 0.00 60.65 61.84 1x1y s ILE 55 Cb -0.23 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 38.97 1x1y s ILE 55 CO 0.28 0.11 -0.05 0.12 0.00 0.00 0.00 174.94 175.41 1x1y s PHE 56 N -1.10 3.14 0.30 3.97 5.36 0.95 -4.77 117.98 125.84 1x1y s PHE 56 Ca 0.51 -1.74 -0.01 0.00 -0.96 0.00 0.00 56.93 54.72 1x1y s PHE 56 Cb -0.42 -2.06 0.46 0.00 -0.34 0.00 0.00 43.02 40.67 1x1y s PHE 56 CO 0.56 -0.77 1.95 0.66 -1.46 0.00 0.00 175.22 176.16 1x1y h SER 57 N 7.98 0.88 -3.81 6.13 4.64 -1.95 -3.34 113.55 124.09 1x1y h SER 57 Ca -0.28 -0.05 -0.34 0.00 -0.47 0.00 0.00 61.79 60.65 1x1y h SER 57 Cb 1.09 -0.22 0.05 0.00 -0.31 0.00 0.00 62.40 63.01 1x1y h SER 57 CO 0.55 0.68 -0.51 -3.20 -0.87 0.00 0.00 176.83 173.48 1x1y n ASN 58 N -4.39 -5.40 -0.31 4.97 5.15 -1.26 -4.89 115.26 109.13 1x1y n ASN 58 Ca 0.08 -0.24 0.10 0.00 -0.60 0.00 0.00 54.58 53.92 1x1y n ASN 58 Cb 0.07 -4.23 0.32 0.00 -0.53 0.00 0.00 39.78 35.40 1x1y n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1y h ARG 59 N -1.17 0.79 -0.03 1.20 3.08 -2.00 -0.87 114.38 115.38 1x1y h ARG 59 Ca -0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1x1y h ARG 59 Cb 1.31 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1x1y h ARG 59 CO 0.48 0.52 0.00 0.39 -1.07 0.00 0.00 179.97 180.29 1x1y n GLU 60 N -4.59 1.19 -2.02 0.04 1.02 -1.26 -4.92 120.64 110.10 1x1y n GLU 60 Ca 0.18 -0.29 -0.19 0.00 -0.02 0.00 0.00 57.16 56.84 1x1y n GLU 60 Cb 0.43 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.43 1x1y n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x1y n GLY 61 N 0.93 0.57 0.15 0.62 0.00 -0.33 -4.88 105.19 102.25 1x1y n GLY 61 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1x1y n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1y h LYS 62 N 0.00 0.02 -6.32 1.61 1.57 -1.91 -3.44 116.57 108.10 1x1y h LYS 62 Ca -0.43 -0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 57.78 1x1y h LYS 62 Cb 1.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1x1y h LYS 62 CO 0.56 0.59 -0.21 -0.51 -0.57 0.00 0.00 179.45 179.30 1x1y s LEU 63 N -7.74 4.20 0.11 2.94 1.43 -1.26 -4.97 118.68 113.38 1x1y s LEU 63 Ca -0.02 0.73 -0.31 0.00 -1.03 0.00 0.00 54.13 53.50 1x1y s LEU 63 Cb 0.13 -3.48 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 1x1y s LEU 63 CO 0.76 -0.04 1.62 -2.16 0.23 0.00 0.00 176.35 176.76 1x1y s PRO 64 N -2.88 4.21 0.32 1.29 0.04 -1.26 -5.00 135.00 131.72 1x1y s PRO 64 Ca 0.44 2.34 0.08 0.00 0.04 0.00 0.00 61.00 63.90 1x1y s PRO 64 Cb -0.11 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1x1y s PRO 64 CO 0.24 -0.68 0.17 0.20 0.04 0.00 0.00 177.00 176.98 1x1y s GLY 65 N 1.87 1.78 -0.17 0.56 0.00 -1.26 -5.09 107.32 105.01 1x1y s GLY 65 Ca 0.72 -1.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 1x1y s GLY 65 CO 0.32 -1.66 1.05 -1.59 0.00 0.00 0.00 173.10 171.22 1x1y s LYS 66 N -3.87 0.52 -0.04 2.90 -2.85 -1.26 -5.08 119.74 110.07 1x1y s LYS 66 Ca 0.37 0.10 -0.37 0.00 -1.00 0.00 0.00 55.97 55.07 1x1y s LYS 66 Cb -0.05 0.25 -0.15 0.00 -2.06 0.00 0.00 37.83 35.82 1x1y s LYS 66 CO 0.24 -0.17 1.59 0.43 0.10 0.00 0.00 175.35 177.54 1x1y n SER 67 N 0.62 2.40 0.00 0.03 7.64 -1.26 -0.93 113.62 122.12 1x1y n SER 67 Ca -0.08 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1x1y n SER 67 Cb 0.58 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1x1y n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1y n GLY 68 N 3.49 2.15 3.72 0.23 0.00 -1.26 -5.02 105.19 108.49 1x1y n GLY 68 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1x1y n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1y s ARG 69 N -0.37 4.48 0.13 1.61 3.52 -0.11 -4.96 118.95 123.26 1x1y s ARG 69 Ca 0.00 1.04 0.11 0.00 -0.13 0.00 0.00 55.73 56.75 1x1y s ARG 69 Cb 0.00 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1x1y s ARG 69 CO 0.00 0.04 -0.25 0.95 -0.81 0.00 0.00 175.30 175.23 1x1y s THR 70 N 0.81 2.17 0.16 4.11 -4.23 -1.26 -4.74 115.64 112.66 1x1y s THR 70 Ca 0.42 -1.77 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1x1y s THR 70 Cb -0.19 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1x1y s THR 70 CO 0.21 0.02 -0.16 0.26 -0.54 0.00 0.00 174.62 174.42 1x1y s TRP 71 N -1.19 2.52 0.06 3.99 0.52 -1.25 -0.41 118.94 123.18 1x1y s TRP 71 Ca 0.14 -0.27 -0.00 0.00 0.02 0.00 0.00 56.10 55.99 1x1y s TRP 71 Cb -0.10 -1.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.92 1x1y s TRP 71 CO 0.06 0.47 -0.04 1.03 0.02 0.00 0.00 176.95 178.49 1x1y s ARG 72 N -2.57 0.67 0.24 4.98 0.52 -0.19 -0.04 118.95 122.57 1x1y s ARG 72 Ca 0.22 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1x1y s ARG 72 Cb -0.09 0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.39 1x1y s ARG 72 CO 0.12 -0.08 0.03 -1.83 0.02 0.00 0.00 175.30 173.56 1x1y s GLU 73 N -3.74 1.37 -0.18 3.54 -1.05 -0.52 -1.43 118.70 116.69 1x1y s GLU 73 Ca 0.07 -1.71 -0.28 0.00 -0.15 0.00 0.00 54.97 52.90 1x1y s GLU 73 Cb 0.06 -0.54 0.07 0.00 -0.44 0.00 0.00 34.13 33.29 1x1y s GLU 73 CO -0.08 -0.16 0.73 0.00 0.95 0.00 0.00 175.26 176.71 1x1y s ALA 74 N -3.50 -1.79 0.40 -0.84 0.00 -0.64 -0.08 121.76 115.31 1x1y s ALA 74 Ca 0.31 1.72 -0.25 0.00 0.00 0.00 0.00 51.96 53.74 1x1y s ALA 74 Cb 0.07 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 1x1y s ALA 74 CO 0.10 -0.35 1.20 -0.51 0.00 0.00 0.00 175.76 176.21 1x1y s ASP 75 N -0.32 6.48 0.00 0.00 1.11 0.27 -0.59 116.67 123.62 1x1y s ASP 75 Ca -0.04 2.42 0.07 0.00 0.18 0.00 0.00 52.55 55.18 1x1y s ASP 75 Cb -0.03 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 1x1y s ASP 75 CO 0.04 -0.71 -0.21 -0.63 1.18 0.00 0.00 175.17 174.84 1x1y s ILE 76 N -1.37 1.70 -1.33 0.77 -1.09 -0.51 -4.73 121.20 114.63 1x1y s ILE 76 Ca 0.57 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1x1y s ILE 76 Cb -0.33 -1.43 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 1x1y s ILE 76 CO 0.41 0.41 0.00 0.59 -1.23 0.00 0.00 174.94 175.12 1x1y n ASN 77 N 2.35 -4.49 -4.78 3.58 3.02 0.52 -4.51 115.26 110.96 1x1y n ASN 77 Ca -0.16 0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 54.29 1x1y n ASN 77 Cb 0.53 -3.16 -0.06 0.00 -0.61 0.00 0.00 39.78 36.48 1x1y n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1y s TYR 78 N -2.48 3.81 0.13 3.10 5.04 -1.26 -4.94 117.35 120.74 1x1y s TYR 78 Ca 0.00 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1x1y s TYR 78 Cb 0.00 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 39.62 1x1y s TYR 78 CO 0.00 0.45 0.00 2.41 -1.34 0.00 0.00 175.55 177.07 1x1y n THR 79 N 2.09 1.02 -3.85 4.34 -1.04 -1.26 -4.94 114.28 110.64 1x1y n THR 79 Ca -0.06 0.34 -0.07 0.00 -2.04 0.00 0.00 64.05 62.21 1x1y n THR 79 Cb 0.50 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 1x1y n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x1y s SER 80 N -5.82 -0.22 0.01 8.00 1.04 -1.26 -4.73 113.70 110.71 1x1y s SER 80 Ca 0.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1x1y s SER 80 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1x1y s SER 80 CO 0.00 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1x1y n GLY 81 N -0.47 -0.23 3.82 7.32 0.00 -1.24 -4.85 105.19 109.53 1x1y n GLY 81 Ca -0.05 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1x1y n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1y s PHE 82 N 0.00 3.23 0.74 1.61 0.08 -1.26 -4.41 117.98 117.97 1x1y s PHE 82 Ca 0.00 1.59 -0.13 0.00 0.12 0.00 0.00 56.93 58.51 1x1y s PHE 82 Cb 0.00 -2.90 0.04 0.00 -0.57 0.00 0.00 43.02 39.59 1x1y s PHE 82 CO 0.00 -0.32 1.13 1.03 -0.10 0.00 0.00 175.22 176.96 1x1y s ARG 83 N -3.25 2.26 0.00 0.44 0.52 -1.26 -5.00 118.95 112.66 1x1y s ARG 83 Ca 0.63 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1x1y s ARG 83 Cb -0.11 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1x1y s ARG 83 CO 0.16 -1.68 0.00 0.27 0.02 0.00 0.00 175.30 174.07 1x1y n ASN 84 N -3.03 0.13 -1.15 0.23 0.23 -1.26 -5.04 115.26 105.36 1x1y n ASN 84 Ca 0.11 -0.47 0.11 0.00 -0.53 0.00 0.00 54.58 53.80 1x1y n ASN 84 Cb 0.52 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.47 1x1y n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1y n SER 85 N -1.35 3.58 -4.71 0.53 3.41 -1.26 -4.96 113.62 108.86 1x1y n SER 85 Ca 0.00 -1.98 -0.35 0.00 -0.26 0.00 0.00 58.87 56.28 1x1y n SER 85 Cb 0.00 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 63.51 1x1y n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1y s ASP 86 N -1.15 6.12 0.00 4.04 1.01 -1.26 -2.17 116.67 123.27 1x1y s ASP 86 Ca 0.40 0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.82 1x1y s ASP 86 Cb 0.22 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 42.07 1x1y s ASP 86 CO 0.29 0.17 0.07 -0.13 0.21 0.00 0.00 175.17 175.78 1x1y s ARG 87 N 0.43 0.34 -0.10 8.23 1.81 -0.65 -1.42 118.95 127.59 1x1y s ARG 87 Ca 0.07 -0.36 -0.02 0.00 -1.72 0.00 0.00 55.73 53.71 1x1y s ARG 87 Cb -0.11 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 1x1y s ARG 87 CO -0.01 -0.07 -0.01 -1.50 -0.68 0.00 0.00 175.30 173.03 1x1y s ILE 88 N -1.09 4.20 -0.14 1.52 2.07 0.24 -1.81 121.20 126.20 1x1y s ILE 88 Ca -0.12 -0.28 0.02 0.00 -1.41 0.00 0.00 60.65 58.86 1x1y s ILE 88 Cb -0.07 -2.77 0.01 0.00 0.13 0.00 0.00 42.46 39.75 1x1y s ILE 88 CO 0.00 0.59 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.66 1x1y s LEU 89 N -0.68 2.21 -0.00 8.50 2.01 0.83 -1.62 118.68 129.93 1x1y s LEU 89 Ca 0.11 -0.56 0.03 0.00 0.01 0.00 0.00 54.13 53.72 1x1y s LEU 89 Cb -0.12 -1.48 -0.01 0.00 0.01 0.00 0.00 46.19 44.60 1x1y s LEU 89 CO 0.02 0.09 -0.10 -0.72 1.01 0.00 0.00 176.35 176.65 1x1y s TYR 90 N 0.76 0.87 0.49 0.29 1.13 -0.51 0.45 117.35 120.83 1x1y s TYR 90 Ca -0.08 -0.18 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 1x1y s TYR 90 Cb -0.16 -0.56 0.02 0.00 -1.10 0.00 0.00 41.96 40.17 1x1y s TYR 90 CO -0.00 -0.01 0.68 -1.54 -2.51 0.00 0.00 175.55 172.16 1x1y s SER 91 N -0.30 5.46 0.58 -0.18 1.04 -0.48 -1.02 113.70 118.79 1x1y s SER 91 Ca 0.03 -0.18 0.36 0.00 0.48 0.00 0.00 55.95 56.64 1x1y s SER 91 Cb -0.04 -0.80 1.69 0.00 0.10 0.00 0.00 66.02 66.96 1x1y s SER 91 CO -0.00 -0.96 2.11 0.77 0.98 0.00 0.00 173.24 176.14 1x1y h SER 92 N 0.33 0.00 -0.52 7.02 4.64 -1.08 -0.94 113.55 122.99 1x1y h SER 92 Ca -0.41 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.78 1x1y h SER 92 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.31 1x1y h SER 92 CO 0.49 0.03 0.11 -0.90 -0.87 0.00 0.00 176.83 175.69 1x1y n ASP 93 N -3.18 4.34 -2.68 4.97 5.75 -1.26 -4.97 116.55 119.52 1x1y n ASP 93 Ca -0.01 -3.21 -0.21 0.00 -0.01 0.00 0.00 54.79 51.36 1x1y n ASP 93 Cb 0.23 -0.66 0.02 0.00 -1.03 0.00 0.00 41.12 39.68 1x1y n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1y n TRP 94 N -0.31 -1.58 -2.91 2.11 7.02 -0.36 -5.02 117.44 116.39 1x1y n TRP 94 Ca 0.33 0.34 -0.36 0.00 -1.02 0.00 0.00 57.50 56.79 1x1y n TRP 94 Cb 1.17 -4.19 -0.06 0.00 -2.42 0.00 0.00 31.31 25.81 1x1y n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1y s LEU 95 N -6.16 4.30 -0.06 -0.99 1.43 -1.26 -4.83 118.68 111.11 1x1y s LEU 95 Ca 0.20 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1x1y s LEU 95 Cb -0.09 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1x1y s LEU 95 CO 0.25 -0.06 -0.05 -0.63 0.23 0.00 0.00 176.35 176.08 1x1y s ILE 96 N -1.65 0.66 0.30 -0.59 1.01 -1.26 -1.38 121.20 118.29 1x1y s ILE 96 Ca 0.49 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.04 1x1y s ILE 96 Cb -0.17 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 1x1y s ILE 96 CO 0.22 0.26 -0.05 -0.31 0.00 0.00 0.00 174.94 175.06 1x1y s TYR 97 N 1.07 2.04 0.08 3.97 1.51 0.17 -0.43 117.35 125.77 1x1y s TYR 97 Ca -0.08 -0.68 0.02 0.00 -1.01 0.00 0.00 57.07 55.32 1x1y s TYR 97 Cb -0.14 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1x1y s TYR 97 CO -0.01 0.31 -0.08 -1.59 -1.11 0.00 0.00 175.55 173.08 1x1y s LYS 98 N -3.72 0.76 -0.05 -0.62 -2.85 -0.43 -0.12 119.74 112.71 1x1y s LYS 98 Ca 0.31 -1.14 -0.04 0.00 -1.00 0.00 0.00 55.97 54.10 1x1y s LYS 98 Cb 0.04 -0.32 0.02 0.00 -2.06 0.00 0.00 37.83 35.51 1x1y s LYS 98 CO 0.13 0.03 0.13 -0.08 0.10 0.00 0.00 175.35 175.66 1x1y s THR 99 N -2.72 -0.01 0.00 3.79 -1.32 -0.75 -1.56 115.64 113.06 1x1y s THR 99 Ca 0.04 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1x1y s THR 99 Cb -0.01 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.78 1x1y s THR 99 CO -0.02 0.02 0.57 0.35 -2.21 0.00 0.00 174.62 173.33 1x1y n THR 100 N 3.34 0.20 -2.09 5.08 -2.24 -1.26 -1.64 114.28 115.67 1x1y n THR 100 Ca -0.16 -0.56 -0.25 0.00 -2.27 0.00 0.00 64.05 60.80 1x1y n THR 100 Cb 0.57 0.97 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1x1y n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1y n ASP 101 N -0.10 5.05 -3.64 3.42 5.68 -1.25 -4.58 116.55 121.13 1x1y n ASP 101 Ca 0.00 -3.75 -0.30 0.00 -0.50 0.00 0.00 54.79 50.25 1x1y n ASP 101 Cb 0.08 -0.41 0.04 0.00 -1.14 0.00 0.00 41.12 39.69 1x1y n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1y n HIS 102 N -0.66 -1.98 -1.16 2.11 -0.00 -0.92 -2.58 115.22 110.03 1x1y n HIS 102 Ca 0.44 0.50 -0.05 0.00 -0.00 0.00 0.00 57.72 58.61 1x1y n HIS 102 Cb 0.87 -3.48 -0.02 0.00 -0.00 0.00 0.00 29.99 27.36 1x1y n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1y n TYR 103 N -4.02 0.00 -0.02 1.57 4.02 -1.26 -4.88 117.16 112.57 1x1y n TYR 103 Ca -0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.64 1x1y n TYR 103 Cb 0.59 -1.92 -0.11 0.00 -0.02 0.00 0.00 39.34 37.88 1x1y n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1x1y h GLN 104 N 0.17 0.26 -4.94 -0.72 4.20 -1.91 -3.46 115.11 108.70 1x1y h GLN 104 Ca -0.11 -0.27 -0.33 0.00 0.06 0.00 0.00 58.65 58.00 1x1y h GLN 104 Cb 0.84 0.07 -0.20 0.00 0.30 0.00 0.00 27.48 28.49 1x1y h GLN 104 CO 0.16 0.97 -0.75 0.95 -0.67 0.00 0.00 178.83 179.49 1x1y s THR 105 N -3.21 0.84 0.01 -0.54 -4.23 -1.26 -5.12 115.64 102.14 1x1y s THR 105 Ca -0.15 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1x1y s THR 105 Cb 0.02 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 1x1y s THR 105 CO 0.77 -0.38 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.99 1x1y s PHE 106 N -1.67 0.97 -0.04 3.99 0.08 -1.26 -4.42 117.98 115.64 1x1y s PHE 106 Ca -0.03 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.78 1x1y s PHE 106 Cb -0.08 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.78 1x1y s PHE 106 CO 0.01 -0.00 -0.10 0.95 -0.10 0.00 0.00 175.22 175.97 1x1y s THR 107 N -0.56 0.91 0.21 0.64 -4.23 -0.60 -4.94 115.64 107.07 1x1y s THR 107 Ca 0.02 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 1x1y s THR 107 Cb -0.06 -0.82 -0.09 0.00 1.34 0.00 0.00 72.50 72.87 1x1y s THR 107 CO 0.00 0.29 1.38 -0.75 -0.54 0.00 0.00 174.62 175.00 1x1y s LYS 108 N 0.35 4.33 0.00 3.99 2.20 -1.26 -1.31 119.74 128.04 1x1y s LYS 108 Ca -0.07 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 1x1y s LYS 108 Cb -0.11 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1x1y s LYS 108 CO 0.01 -0.35 0.00 0.44 -0.36 0.00 0.00 175.35 175.09 1x1y n ILE 109 N 2.73 0.00 -1.72 5.43 -5.35 0.43 -4.93 119.36 115.95 1x1y n ILE 109 Ca 0.07 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1x1y n ILE 109 Cb 0.42 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1x1y n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33