#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1w s ILE 4 N 0.00 3.88 -0.00 2.52 1.01 -1.26 -4.93 121.20 122.41 1x1w s ILE 4 Ca 0.00 -1.15 0.16 0.00 0.00 0.00 0.00 60.65 59.66 1x1w s ILE 4 Cb 0.00 -3.22 0.26 0.00 0.01 0.00 0.00 42.46 39.51 1x1w s ILE 4 CO 0.00 -0.22 1.10 -0.46 0.00 0.00 0.00 174.94 175.36 1x1w n ASN 5 N 4.83 0.63 -4.92 3.58 6.94 -1.26 -4.77 115.26 120.29 1x1w n ASN 5 Ca -0.12 -2.03 -0.22 0.00 -0.02 0.00 0.00 54.58 52.20 1x1w n ASN 5 Cb 0.45 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.57 1x1w n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1w s THR 6 N -0.05 4.96 0.14 5.53 -4.23 -1.26 -0.73 115.64 120.00 1x1w s THR 6 Ca 0.21 -1.13 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 1x1w s THR 6 Cb 0.24 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1x1w s THR 6 CO -0.10 -0.33 1.67 -0.26 -0.54 0.00 0.00 174.62 175.06 1x1w h PHE 7 N 1.32 -0.33 0.00 3.99 0.04 -1.98 -1.29 116.94 118.69 1x1w h PHE 7 Ca -0.51 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.16 1x1w h PHE 7 Cb 1.23 0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.54 1x1w h PHE 7 CO 0.49 -0.20 -0.62 -0.44 -0.60 0.00 0.00 178.31 176.94 1x1w h ASP 8 N -0.13 0.00 -0.16 2.17 3.32 -1.98 -1.29 116.42 118.36 1x1w h ASP 8 Ca 0.11 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1x1w h ASP 8 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1x1w h ASP 8 CO -0.27 0.62 -0.06 1.23 -1.72 0.00 0.00 179.24 179.04 1x1w h GLY 9 N 3.04 0.35 1.21 2.75 0.00 -1.92 -1.21 103.07 107.29 1x1w h GLY 9 Ca -0.01 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 1x1w h GLY 9 CO 0.08 0.28 -0.63 -2.08 0.00 0.00 0.00 176.54 174.19 1x1w h VAL 10 N 0.01 1.28 0.04 4.60 2.07 -1.31 -2.39 116.25 120.56 1x1w h VAL 10 Ca 0.04 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.73 1x1w h VAL 10 Cb 0.52 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1x1w h VAL 10 CO 0.02 0.59 -0.02 0.00 0.02 0.00 0.00 177.57 178.18 1x1w h ALA 11 N 0.68 -0.06 -0.73 1.67 0.00 -1.22 0.13 119.26 119.72 1x1w h ALA 11 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1x1w h ALA 11 Cb 1.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1x1w h ALA 11 CO 0.13 -0.53 0.28 -0.44 0.00 0.00 0.00 179.25 178.70 1x1w h ASP 12 N -0.07 1.00 -0.58 0.00 3.32 -1.28 -2.14 116.42 116.66 1x1w h ASP 12 Ca -0.01 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1x1w h ASP 12 Cb 0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1x1w h ASP 12 CO 0.01 0.90 0.15 0.22 -1.72 0.00 0.00 179.24 178.80 1x1w h TYR 13 N 1.06 0.97 -0.76 4.55 5.03 -1.06 -0.87 116.97 125.89 1x1w h TYR 13 Ca 0.24 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1x1w h TYR 13 Cb 0.22 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.18 1x1w h TYR 13 CO 0.02 0.82 0.40 -0.07 -1.32 0.00 0.00 178.16 178.01 1x1w h LEU 14 N 0.84 0.97 -0.56 2.82 3.38 -0.42 0.31 115.31 122.64 1x1w h LEU 14 Ca 0.19 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1x1w h LEU 14 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1x1w h LEU 14 CO -0.00 0.80 -0.35 1.56 0.09 0.00 0.00 178.44 180.55 1x1w h GLN 15 N 1.06 0.78 0.11 1.13 4.20 -1.16 0.50 115.11 121.73 1x1w h GLN 15 Ca 0.27 -0.38 -0.28 0.00 0.06 0.00 0.00 58.65 58.32 1x1w h GLN 15 Cb 0.07 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1x1w h GLN 15 CO -0.04 1.01 -1.30 1.15 -0.67 0.00 0.00 178.83 178.98 1x1w h THR 16 N 0.65 1.42 -0.01 -0.54 2.02 -0.99 -3.38 112.91 112.08 1x1w h THR 16 Ca 0.06 -3.03 0.00 0.00 0.77 0.00 0.00 66.41 64.22 1x1w h THR 16 Cb 0.89 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1x1w h THR 16 CO 0.08 0.87 0.00 -1.22 0.37 0.00 0.00 175.52 175.62 1x1w n TYR 17 N -3.49 0.02 -4.06 3.16 4.01 0.08 -5.01 117.16 111.87 1x1w n TYR 17 Ca -0.10 -0.21 -0.32 0.00 -0.16 0.00 0.00 57.90 57.11 1x1w n TYR 17 Cb 1.02 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1x1w n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1w n HIS 18 N -0.14 -1.94 -3.61 -0.72 8.25 0.17 -4.93 115.22 112.30 1x1w n HIS 18 Ca 0.01 0.83 -0.05 0.00 -0.26 0.00 0.00 57.72 58.25 1x1w n HIS 18 Cb 0.12 -3.46 -0.02 0.00 1.12 0.00 0.00 29.99 27.75 1x1w n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1w s LYS 19 N -6.74 0.80 0.55 -0.41 -2.85 -1.25 -5.06 119.74 104.77 1x1w s LYS 19 Ca 0.60 -0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.08 1x1w s LYS 19 Cb -0.32 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 35.72 1x1w s LYS 19 CO 0.88 -0.36 0.96 -0.51 0.10 0.00 0.00 175.35 176.43 1x1w s LEU 20 N -2.63 3.46 1.09 2.77 1.43 -1.26 -3.88 118.68 119.65 1x1w s LEU 20 Ca 0.09 1.37 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1x1w s LEU 20 Cb -0.00 -4.35 0.24 0.00 0.03 0.00 0.00 46.19 42.10 1x1w s LEU 20 CO -0.04 -0.70 1.06 -2.84 0.23 0.00 0.00 176.35 174.06 1x1w s PRO 21 N -4.66 -0.31 0.40 1.29 0.02 -1.26 -4.90 135.00 125.58 1x1w s PRO 21 Ca 0.55 1.00 0.29 0.00 0.02 0.00 0.00 61.00 62.86 1x1w s PRO 21 Cb -0.11 -1.61 1.25 0.00 0.02 0.00 0.00 34.50 34.06 1x1w s PRO 21 CO 0.44 -3.36 1.86 -0.44 -0.33 0.00 0.00 177.00 175.17 1x1w h ASP 22 N -2.37 0.00 0.00 2.53 3.32 -1.96 -3.09 116.42 114.85 1x1w h ASP 22 Ca -0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1x1w h ASP 22 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1x1w h ASP 22 CO 0.49 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.55 1x1w n ASN 23 N -2.62 0.50 -4.41 6.45 6.94 -1.26 -4.80 115.26 116.05 1x1w n ASN 23 Ca 0.01 -1.87 -0.33 0.00 -0.02 0.00 0.00 54.58 52.37 1x1w n ASN 23 Cb 0.23 -0.25 -0.14 0.00 -2.36 0.00 0.00 39.78 37.26 1x1w n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1w s TYR 24 N -1.47 2.70 0.02 -2.53 2.02 -1.17 -1.08 117.35 115.84 1x1w s TYR 24 Ca 0.00 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1x1w s TYR 24 Cb 0.00 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1x1w s TYR 24 CO 0.00 0.00 -0.05 0.96 -1.57 0.00 0.00 175.55 174.89 1x1w s ILE 25 N -0.30 0.32 1.00 2.71 -0.00 -0.69 -4.91 121.20 119.33 1x1w s ILE 25 Ca 0.02 -0.78 -0.13 0.00 -0.00 0.00 0.00 60.65 59.76 1x1w s ILE 25 Cb -0.13 -0.39 0.19 0.00 -0.00 0.00 0.00 42.46 42.13 1x1w s ILE 25 CO 0.03 -0.31 1.11 0.42 -0.00 0.00 0.00 174.94 176.19 1x1w s THR 26 N -1.07 1.98 0.24 8.37 -4.23 -1.19 -1.58 115.64 118.15 1x1w s THR 26 Ca -0.09 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 1x1w s THR 26 Cb -0.08 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.37 1x1w s THR 26 CO -0.00 0.00 1.80 0.11 -0.54 0.00 0.00 174.62 175.99 1x1w h LYS 27 N -1.88 1.09 -0.25 3.99 1.57 -1.97 -1.31 116.57 117.82 1x1w h LYS 27 Ca -0.53 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 57.90 1x1w h LYS 27 Cb 1.33 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1x1w h LYS 27 CO 0.57 0.90 -0.45 0.66 -0.57 0.00 0.00 179.45 180.56 1x1w h SER 28 N 1.06 0.69 -0.42 0.86 4.64 -1.99 -1.66 113.55 116.74 1x1w h SER 28 Ca 0.24 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1x1w h SER 28 Cb 0.22 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1x1w h SER 28 CO -0.02 1.04 -0.05 -0.33 -0.87 0.00 0.00 176.83 176.60 1x1w h GLU 29 N 0.51 0.77 -0.76 4.77 5.08 -1.86 -0.88 114.58 122.21 1x1w h GLU 29 Ca 0.03 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1x1w h GLU 29 Cb 0.99 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1x1w h GLU 29 CO 0.09 0.87 0.42 0.00 -1.00 0.00 0.00 179.01 179.39 1x1w h ALA 30 N 0.87 0.97 -0.51 3.43 0.00 -1.17 -2.63 119.26 120.23 1x1w h ALA 30 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1x1w h ALA 30 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1x1w h ALA 30 CO 0.03 0.48 0.21 0.37 0.00 0.00 0.00 179.25 180.35 1x1w h GLN 31 N 1.05 0.76 0.00 0.00 4.15 -1.03 -0.89 115.11 119.15 1x1w h GLN 31 Ca 0.27 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1x1w h GLN 31 Cb 0.03 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1x1w h GLN 31 CO -0.04 0.66 0.01 0.00 -1.93 0.00 0.00 178.83 177.53 1x1w h ALA 32 N 1.06 1.01 -0.16 3.38 0.00 -0.82 0.13 119.26 123.86 1x1w h ALA 32 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1x1w h ALA 32 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x1w h ALA 32 CO -0.02 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1x1w n LEU 33 N -2.95 2.43 0.00 0.00 4.77 -0.41 -4.93 117.00 115.91 1x1w n LEU 33 Ca -0.03 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1x1w n LEU 33 Cb 0.08 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1x1w n LEU 33 CO 0.18 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1x1w n GLY 34 N 1.29 0.64 3.73 -0.72 0.00 0.44 -4.84 105.19 105.74 1x1w n GLY 34 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1x1w n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1w s TRP 35 N -2.00 2.96 -0.36 1.61 -0.00 -0.77 -4.98 118.94 115.40 1x1w s TRP 35 Ca 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 56.10 56.87 1x1w s TRP 35 Cb 0.00 -3.95 0.11 0.00 -0.00 0.00 0.00 33.47 29.64 1x1w s TRP 35 CO 0.00 -3.30 0.15 0.08 -0.00 0.00 0.00 176.95 173.88 1x1w s VAL 36 N 0.49 1.08 0.21 5.86 1.01 -1.26 -4.53 120.40 123.26 1x1w s VAL 36 Ca 0.65 -1.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 1x1w s VAL 36 Cb -0.45 -1.79 0.34 0.00 0.00 0.00 0.00 36.38 34.48 1x1w s VAL 36 CO 0.39 -0.76 1.21 0.00 0.00 0.00 0.00 175.10 175.94 1x1w n ALA 37 N 4.34 0.16 0.20 5.51 0.00 -1.26 0.19 120.51 129.65 1x1w n ALA 37 Ca 0.03 0.85 0.08 0.00 0.00 0.00 0.00 53.44 54.39 1x1w n ALA 37 Cb 0.39 -0.50 0.39 0.00 0.00 0.00 0.00 19.45 19.74 1x1w n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x1w n SER 38 N -5.26 0.39 -0.03 0.00 3.41 -1.26 -1.32 113.62 109.55 1x1w n SER 38 Ca 0.12 0.65 -0.02 0.00 -0.26 0.00 0.00 58.87 59.36 1x1w n SER 38 Cb 0.38 -0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 63.49 1x1w n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x1w n LYS 39 N -1.99 0.65 -3.10 4.33 5.02 0.49 -4.99 118.16 118.58 1x1w n LYS 39 Ca 0.00 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 1x1w n LYS 39 Cb 0.08 -1.65 0.05 0.00 -0.02 0.00 0.00 35.03 33.48 1x1w n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1w n GLY 40 N 1.50 -0.14 1.44 0.72 0.00 -0.43 -4.91 105.19 103.37 1x1w n GLY 40 Ca -0.17 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1x1w n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1w n ASN 41 N -1.56 4.34 -0.22 1.61 6.94 -1.26 -3.70 115.26 121.41 1x1w n ASN 41 Ca -0.03 -2.24 0.01 0.00 -0.02 0.00 0.00 54.58 52.31 1x1w n ASN 41 Cb 0.56 -0.53 0.10 0.00 -2.36 0.00 0.00 39.78 37.55 1x1w n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1w h LEU 42 N 4.09 -0.38 -1.66 -4.53 5.85 -1.90 0.16 115.31 116.94 1x1w h LEU 42 Ca 0.00 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1x1w h LEU 42 Cb 1.22 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1x1w h LEU 42 CO 0.12 -0.16 -0.20 0.00 -0.34 0.00 0.00 178.44 177.86 1x1w h ALA 43 N 1.61 1.47 0.02 1.25 0.00 -1.83 0.47 119.26 122.25 1x1w h ALA 43 Ca 0.34 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1x1w h ALA 43 Cb 0.55 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1x1w h ALA 43 CO -0.59 0.25 -0.86 -0.44 0.00 0.00 0.00 179.25 177.61 1x1w h ASP 44 N 0.00 0.72 1.27 0.00 3.32 -1.10 -2.87 116.42 117.76 1x1w h ASP 44 Ca -0.00 -0.76 -0.14 0.00 0.02 0.00 0.00 57.03 56.14 1x1w h ASP 44 Cb 0.40 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1x1w h ASP 44 CO 0.03 1.40 -0.75 -0.37 -1.72 0.00 0.00 179.24 177.83 1x1w h VAL 45 N 0.13 1.03 -1.78 -1.35 -1.51 -0.67 -3.41 116.25 108.69 1x1w h VAL 45 Ca -0.11 -2.50 -0.42 0.00 -1.23 0.00 0.00 66.70 62.44 1x1w h VAL 45 Cb 1.55 2.48 -0.29 0.00 -2.13 0.00 0.00 31.29 32.89 1x1w h VAL 45 CO 0.17 0.59 -0.80 0.00 -1.23 0.00 0.00 177.57 176.30 1x1w n ALA 46 N -2.28 1.02 -1.54 5.19 0.00 0.16 -4.96 120.51 118.09 1x1w n ALA 46 Ca -0.00 -2.33 -0.50 0.00 0.00 0.00 0.00 53.44 50.61 1x1w n ALA 46 Cb 0.80 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1x1w n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1w n PRO 47 N 2.74 0.84 -0.78 0.00 -0.02 -1.08 -1.41 135.00 135.29 1x1w n PRO 47 Ca 0.24 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1x1w n PRO 47 Cb 0.52 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1x1w n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1w n GLY 48 N 1.92 0.61 3.91 -1.23 0.00 -1.26 -4.99 105.19 104.14 1x1w n GLY 48 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1x1w n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1w s LYS 49 N -0.41 3.61 0.03 1.61 -0.14 -0.50 -4.79 119.74 119.15 1x1w s LYS 49 Ca 0.00 -0.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.60 1x1w s LYS 49 Cb 0.00 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 1x1w s LYS 49 CO 0.00 0.17 -0.05 -1.12 -0.76 0.00 0.00 175.35 173.59 1x1w s SER 50 N -3.36 0.53 0.29 2.83 0.01 -0.24 -4.79 113.70 108.97 1x1w s SER 50 Ca 0.44 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 1x1w s SER 50 Cb -0.10 0.06 -0.10 0.00 0.21 0.00 0.00 66.02 66.09 1x1w s SER 50 CO 0.32 -0.22 1.21 -0.63 0.41 0.00 0.00 173.24 174.32 1x1w s ILE 51 N -1.29 3.13 0.00 1.44 -1.09 -1.26 -1.70 121.20 120.43 1x1w s ILE 51 Ca -0.12 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 1x1w s ILE 51 Cb -0.09 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1x1w s ILE 51 CO -0.00 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1x1w n GLY 52 N 1.14 1.67 0.00 6.18 0.00 -0.62 -0.50 105.19 113.06 1x1w n GLY 52 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1x1w n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1w n GLY 53 N -0.34 1.81 3.80 -0.02 0.00 0.10 -3.20 105.19 107.34 1x1w n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1x1w n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1w s ASP 54 N -1.67 6.08 0.29 1.61 1.01 -1.24 -4.75 116.67 118.00 1x1w s ASP 54 Ca 0.00 1.90 -0.30 0.00 0.71 0.00 0.00 52.55 54.86 1x1w s ASP 54 Cb 0.00 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 1x1w s ASP 54 CO 0.00 -0.97 1.56 -0.63 0.21 0.00 0.00 175.17 175.34 1x1w s ILE 55 N -2.15 2.17 -0.28 0.77 1.09 -1.26 -1.43 121.20 120.12 1x1w s ILE 55 Ca 0.66 0.15 -0.08 0.00 -1.10 0.00 0.00 60.65 60.28 1x1w s ILE 55 Cb -0.17 -3.09 -0.02 0.00 -1.06 0.00 0.00 42.46 38.12 1x1w s ILE 55 CO 0.27 0.02 0.11 0.12 -0.10 0.00 0.00 174.94 175.36 1x1w s PHE 56 N -0.09 3.13 -1.47 3.97 5.36 0.25 -4.76 117.98 124.38 1x1w s PHE 56 Ca 0.62 -0.49 0.28 0.00 -0.96 0.00 0.00 56.93 56.38 1x1w s PHE 56 Cb -0.47 -2.29 1.43 0.00 -0.34 0.00 0.00 43.02 41.36 1x1w s PHE 56 CO 0.48 -0.40 1.97 0.43 -1.46 0.00 0.00 175.22 176.24 1x1w n SER 57 N 4.95 0.00 -3.88 6.13 7.64 -1.26 -4.09 113.62 123.10 1x1w n SER 57 Ca -0.15 -0.16 -0.37 0.00 1.01 0.00 0.00 58.87 59.19 1x1w n SER 57 Cb 0.50 -0.27 0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1x1w n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x1w n ASN 58 N -1.27 -4.26 0.25 6.43 5.15 -1.26 -4.84 115.26 115.47 1x1w n ASN 58 Ca 0.14 -1.14 0.12 0.00 -0.60 0.00 0.00 54.58 53.10 1x1w n ASN 58 Cb 0.21 -2.62 0.66 0.00 -0.53 0.00 0.00 39.78 37.50 1x1w n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1w h ARG 59 N -2.19 0.00 -0.02 1.20 3.08 -2.00 -2.44 114.38 112.00 1x1w h ARG 59 Ca -0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.37 1x1w h ARG 59 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1x1w h ARG 59 CO 0.51 0.15 -0.13 0.39 -1.07 0.00 0.00 179.97 179.82 1x1w n GLU 60 N -3.52 1.81 -2.12 0.04 -0.58 -1.26 -4.95 120.64 110.05 1x1w n GLU 60 Ca -0.01 -1.40 -0.17 0.00 -0.42 0.00 0.00 57.16 55.15 1x1w n GLU 60 Cb 0.30 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 1x1w n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x1w n GLY 61 N 1.33 0.16 0.10 0.62 0.00 -0.92 -4.90 105.19 101.57 1x1w n GLY 61 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1x1w n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1w h LYS 62 N 0.00 0.09 -6.40 1.61 1.57 -1.93 -3.45 116.57 108.06 1x1w h LYS 62 Ca -0.39 -0.11 -0.54 0.00 -1.87 0.00 0.00 60.65 57.73 1x1w h LYS 62 Cb 1.26 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 1x1w h LYS 62 CO 0.49 0.94 -0.14 -0.51 -0.57 0.00 0.00 179.45 179.65 1x1w s LEU 63 N -7.14 4.18 -0.19 2.94 1.43 -1.26 -5.00 118.68 113.64 1x1w s LEU 63 Ca -0.01 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 53.67 1x1w s LEU 63 Cb 0.10 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 1x1w s LEU 63 CO 0.82 -0.05 2.17 -0.81 0.23 0.00 0.00 176.35 178.70 1x1w n PRO 64 N -0.10 2.03 -3.64 1.29 -0.04 -1.26 -4.98 135.00 128.29 1x1w n PRO 64 Ca 0.00 0.60 -0.36 0.00 -0.04 0.00 0.00 63.50 63.71 1x1w n PRO 64 Cb 0.52 -3.11 -0.06 0.00 -0.04 0.00 0.00 33.50 30.82 1x1w n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x1w s GLY 65 N 7.45 2.33 -0.13 0.55 0.00 -1.26 -5.09 107.32 111.17 1x1w s GLY 65 Ca 1.00 -0.43 -0.15 0.00 0.00 0.00 0.00 44.72 45.14 1x1w s GLY 65 CO 0.38 -0.18 0.41 1.25 0.00 0.00 0.00 173.10 174.96 1x1w s LYS 66 N -1.58 0.52 0.02 2.90 2.20 -1.26 -5.08 119.74 117.46 1x1w s LYS 66 Ca 0.27 0.46 -0.35 0.00 -0.36 0.00 0.00 55.97 56.00 1x1w s LYS 66 Cb -0.14 0.25 -0.13 0.00 -1.51 0.00 0.00 37.83 36.30 1x1w s LYS 66 CO 0.15 -0.08 1.71 0.43 -0.36 0.00 0.00 175.35 177.19 1x1w n SER 67 N 2.58 3.11 0.00 1.43 7.64 -1.26 -0.83 113.62 126.29 1x1w n SER 67 Ca -0.14 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1x1w n SER 67 Cb 0.57 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1x1w n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1w n GLY 68 N 3.84 0.89 3.67 0.23 0.00 -1.26 -5.05 105.19 107.50 1x1w n GLY 68 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1x1w n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1w s ARG 69 N -0.69 4.12 0.06 1.61 3.52 -0.01 -4.94 118.95 122.61 1x1w s ARG 69 Ca 0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 55.73 55.62 1x1w s ARG 69 Cb 0.00 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1x1w s ARG 69 CO 0.00 0.01 -0.13 -0.08 -0.81 0.00 0.00 175.30 174.29 1x1w s THR 70 N 1.18 3.15 0.11 4.11 -1.32 -1.26 -4.70 115.64 116.91 1x1w s THR 70 Ca 0.13 -1.15 0.06 0.00 -1.21 0.00 0.00 61.69 59.52 1x1w s THR 70 Cb -0.14 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 1x1w s THR 70 CO 0.06 0.26 -0.03 0.26 -2.21 0.00 0.00 174.62 172.97 1x1w s TRP 71 N -1.04 2.90 0.09 9.09 0.52 -1.26 -1.00 118.94 128.24 1x1w s TRP 71 Ca 0.17 -0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.23 1x1w s TRP 71 Cb -0.11 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 1x1w s TRP 71 CO 0.09 0.47 -0.06 1.03 0.02 0.00 0.00 176.95 178.49 1x1w s ARG 72 N -2.38 0.82 0.21 4.98 0.52 0.27 0.86 118.95 124.22 1x1w s ARG 72 Ca 0.25 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.17 1x1w s ARG 72 Cb -0.11 -0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.14 1x1w s ARG 72 CO 0.17 -0.03 -0.03 -1.83 0.02 0.00 0.00 175.30 173.60 1x1w s GLU 73 N -3.84 1.25 -0.12 3.54 -1.05 -0.51 -1.50 118.70 116.47 1x1w s GLU 73 Ca 0.11 -1.61 -0.21 0.00 -0.15 0.00 0.00 54.97 53.12 1x1w s GLU 73 Cb 0.06 -0.61 0.05 0.00 -0.44 0.00 0.00 34.13 33.18 1x1w s GLU 73 CO -0.05 -0.05 0.52 0.00 0.95 0.00 0.00 175.26 176.63 1x1w s ALA 74 N -3.40 -1.30 0.30 -0.84 0.00 -0.70 0.03 121.76 115.85 1x1w s ALA 74 Ca 0.25 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 1x1w s ALA 74 Cb 0.05 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.62 1x1w s ALA 74 CO 0.06 -0.28 1.14 -0.51 0.00 0.00 0.00 175.76 176.17 1x1w s ASP 75 N -0.43 7.13 0.02 0.00 1.11 0.34 -1.05 116.67 123.79 1x1w s ASP 75 Ca -0.06 2.35 0.08 0.00 0.18 0.00 0.00 52.55 55.10 1x1w s ASP 75 Cb -0.03 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 1x1w s ASP 75 CO 0.04 -0.25 -0.23 -0.63 1.18 0.00 0.00 175.17 175.28 1x1w s ILE 76 N -1.18 1.83 -1.50 0.77 -1.09 -0.85 -4.71 121.20 114.48 1x1w s ILE 76 Ca 0.46 -1.14 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1x1w s ILE 76 Cb -0.33 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 1x1w s ILE 76 CO 0.43 0.38 0.00 0.59 -1.23 0.00 0.00 174.94 175.11 1x1w n ASN 77 N 2.14 -4.70 -4.81 3.58 3.02 0.09 -4.52 115.26 110.07 1x1w n ASN 77 Ca -0.16 0.35 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 1x1w n ASN 77 Cb 0.52 -3.44 -0.06 0.00 -0.61 0.00 0.00 39.78 36.20 1x1w n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1w s TYR 78 N -2.52 3.71 0.14 3.10 5.04 -1.26 -4.95 117.35 120.60 1x1w s TYR 78 Ca 0.00 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1x1w s TYR 78 Cb 0.00 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 39.91 1x1w s TYR 78 CO 0.00 0.54 0.00 0.25 -1.34 0.00 0.00 175.55 175.00 1x1w n THR 79 N 2.14 0.92 -3.67 4.34 -2.24 -1.26 -4.91 114.28 109.59 1x1w n THR 79 Ca -0.12 0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1x1w n THR 79 Cb 0.52 -1.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.38 1x1w n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x1w s SER 80 N -5.74 -0.39 0.00 3.42 1.04 -1.26 -4.70 113.70 106.07 1x1w s SER 80 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1x1w s SER 80 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1x1w s SER 80 CO 0.00 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1x1w n GLY 81 N -0.42 0.10 3.82 7.32 0.00 -1.24 -4.89 105.19 109.88 1x1w n GLY 81 Ca -0.10 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1x1w n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1w s PHE 82 N 0.00 3.32 0.56 1.61 0.08 -1.26 -4.51 117.98 117.78 1x1w s PHE 82 Ca 0.00 1.58 -0.19 0.00 0.12 0.00 0.00 56.93 58.44 1x1w s PHE 82 Cb 0.00 -2.85 -0.05 0.00 -0.57 0.00 0.00 43.02 39.55 1x1w s PHE 82 CO 0.00 -0.20 1.16 1.03 -0.10 0.00 0.00 175.22 177.11 1x1w s ARG 83 N -3.37 3.21 0.00 0.44 0.52 -1.26 -5.00 118.95 113.49 1x1w s ARG 83 Ca 0.62 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 57.51 1x1w s ARG 83 Cb -0.10 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1x1w s ARG 83 CO 0.17 -0.98 0.00 0.27 0.02 0.00 0.00 175.30 174.78 1x1w n ASN 84 N -1.42 0.00 -1.30 0.23 0.23 -1.26 -5.03 115.26 106.71 1x1w n ASN 84 Ca 0.12 -0.53 0.08 0.00 -0.53 0.00 0.00 54.58 53.73 1x1w n ASN 84 Cb 0.50 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.52 1x1w n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1w n SER 85 N -1.58 4.50 -4.61 0.53 3.41 -1.26 -4.97 113.62 109.64 1x1w n SER 85 Ca 0.00 -2.76 -0.34 0.00 -0.26 0.00 0.00 58.87 55.51 1x1w n SER 85 Cb 0.00 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.29 1x1w n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1w s ASP 86 N -1.29 5.31 -0.02 4.04 1.01 -1.26 -2.34 116.67 122.12 1x1w s ASP 86 Ca 0.46 0.05 -0.08 0.00 0.71 0.00 0.00 52.55 53.68 1x1w s ASP 86 Cb 0.34 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 42.47 1x1w s ASP 86 CO 0.15 0.23 0.17 -0.13 0.21 0.00 0.00 175.17 175.80 1x1w s ARG 87 N 0.02 0.43 -0.10 8.23 1.81 -0.62 -2.00 118.95 126.73 1x1w s ARG 87 Ca 0.04 -0.20 -0.01 0.00 -1.72 0.00 0.00 55.73 53.84 1x1w s ARG 87 Cb -0.13 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 1x1w s ARG 87 CO 0.02 -0.10 -0.06 -1.50 -0.68 0.00 0.00 175.30 172.98 1x1w s ILE 88 N -0.97 3.77 -0.13 1.52 -1.16 -0.22 -1.45 121.20 122.56 1x1w s ILE 88 Ca -0.11 -0.43 0.02 0.00 -0.51 0.00 0.00 60.65 59.62 1x1w s ILE 88 Cb -0.06 -2.58 0.00 0.00 0.61 0.00 0.00 42.46 40.43 1x1w s ILE 88 CO 0.01 0.56 -0.20 -0.76 -2.81 0.00 0.00 174.94 171.74 1x1w s LEU 89 N -0.35 2.23 0.03 8.50 2.01 0.16 -1.72 118.68 129.53 1x1w s LEU 89 Ca 0.05 -0.54 0.04 0.00 0.01 0.00 0.00 54.13 53.70 1x1w s LEU 89 Cb -0.12 -1.47 -0.02 0.00 0.01 0.00 0.00 46.19 44.59 1x1w s LEU 89 CO 0.02 0.12 -0.12 -0.72 1.01 0.00 0.00 176.35 176.66 1x1w s TYR 90 N 0.61 1.05 0.42 0.29 1.13 -0.56 -0.41 117.35 119.88 1x1w s TYR 90 Ca -0.11 -0.31 0.08 0.00 -1.41 0.00 0.00 57.07 55.31 1x1w s TYR 90 Cb -0.16 -0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 40.04 1x1w s TYR 90 CO 0.03 0.01 0.42 -1.54 -2.51 0.00 0.00 175.55 171.95 1x1w s SER 91 N -0.91 5.18 0.44 -0.18 1.04 -0.88 -0.57 113.70 117.82 1x1w s SER 91 Ca 0.01 -0.68 0.12 0.00 0.48 0.00 0.00 55.95 55.88 1x1w s SER 91 Cb -0.07 -0.59 0.98 0.00 0.10 0.00 0.00 66.02 66.45 1x1w s SER 91 CO 0.01 -0.68 2.02 0.77 0.98 0.00 0.00 173.24 176.34 1x1w h SER 92 N 0.94 0.15 -0.53 7.02 4.64 -1.43 -1.06 113.55 123.29 1x1w h SER 92 Ca -0.41 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1x1w h SER 92 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1x1w h SER 92 CO 0.55 0.22 0.00 -0.90 -0.87 0.00 0.00 176.83 175.83 1x1w n ASP 93 N -4.39 5.36 -2.65 4.97 5.75 -1.26 -4.96 116.55 119.37 1x1w n ASP 93 Ca -0.01 -2.85 -0.18 0.00 -0.01 0.00 0.00 54.79 51.74 1x1w n ASP 93 Cb 0.18 -0.67 0.05 0.00 -1.03 0.00 0.00 41.12 39.64 1x1w n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1w n TRP 94 N 0.58 -1.90 -3.09 2.11 7.02 -0.40 -5.03 117.44 116.73 1x1w n TRP 94 Ca 0.26 0.61 -0.39 0.00 -1.02 0.00 0.00 57.50 56.95 1x1w n TRP 94 Cb 1.12 -3.93 -0.06 0.00 -2.42 0.00 0.00 31.31 26.02 1x1w n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1w s LEU 95 N -5.59 4.55 -0.10 -0.99 1.43 -1.26 -4.84 118.68 111.89 1x1w s LEU 95 Ca 0.35 1.48 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 1x1w s LEU 95 Cb -0.16 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1x1w s LEU 95 CO 0.44 0.21 -0.21 -0.63 0.23 0.00 0.00 176.35 176.39 1x1w s ILE 96 N -1.00 1.81 0.20 -0.59 -1.09 -1.15 -2.07 121.20 117.30 1x1w s ILE 96 Ca 0.33 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 1x1w s ILE 96 Cb -0.21 -1.59 -0.05 0.00 -1.58 0.00 0.00 42.46 39.03 1x1w s ILE 96 CO 0.23 0.50 -0.03 -0.31 -1.23 0.00 0.00 174.94 174.11 1x1w s TYR 97 N 0.49 1.41 0.07 3.97 1.51 0.45 -0.91 117.35 124.34 1x1w s TYR 97 Ca -0.16 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 54.99 1x1w s TYR 97 Cb -0.17 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1x1w s TYR 97 CO 0.06 -0.05 -0.04 -1.59 -1.11 0.00 0.00 175.55 172.82 1x1w s LYS 98 N -3.85 0.67 -0.02 -0.62 -2.85 -0.11 0.35 119.74 113.31 1x1w s LYS 98 Ca 0.25 -1.23 -0.04 0.00 -1.00 0.00 0.00 55.97 53.94 1x1w s LYS 98 Cb 0.05 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 1x1w s LYS 98 CO 0.06 -0.07 0.10 -0.08 0.10 0.00 0.00 175.35 175.46 1x1w s THR 99 N -3.68 0.04 0.00 3.79 -1.32 -0.53 -1.10 115.64 112.83 1x1w s THR 99 Ca 0.07 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1x1w s THR 99 Cb 0.06 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.79 1x1w s THR 99 CO -0.08 -0.18 0.42 0.35 -2.21 0.00 0.00 174.62 172.93 1x1w n THR 100 N 2.37 0.14 -2.21 5.08 -2.24 -1.26 -1.58 114.28 114.59 1x1w n THR 100 Ca -0.17 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.01 1x1w n THR 100 Cb 0.58 1.23 0.02 0.00 -2.10 0.00 0.00 70.33 70.05 1x1w n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1w n ASP 101 N -0.07 4.49 -3.75 3.42 5.68 -1.22 -4.56 116.55 120.55 1x1w n ASP 101 Ca 0.00 -3.56 -0.25 0.00 -0.50 0.00 0.00 54.79 50.48 1x1w n ASP 101 Cb 0.16 -0.38 0.02 0.00 -1.14 0.00 0.00 41.12 39.78 1x1w n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1w n HIS 102 N -0.64 -1.86 -1.05 2.11 -0.00 -0.99 -2.56 115.22 110.23 1x1w n HIS 102 Ca 0.39 0.70 -0.02 0.00 -0.00 0.00 0.00 57.72 58.79 1x1w n HIS 102 Cb 0.89 -3.91 -0.01 0.00 -0.00 0.00 0.00 29.99 26.95 1x1w n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1w n TYR 103 N -4.23 0.00 0.01 1.57 4.02 -1.26 -4.90 117.16 112.37 1x1w n TYR 103 Ca -0.23 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.53 1x1w n TYR 103 Cb 0.65 -1.37 -0.09 0.00 -0.02 0.00 0.00 39.34 38.51 1x1w n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1x1w h GLN 104 N 0.34 -0.03 -4.96 -0.72 4.20 -1.92 -3.46 115.11 108.57 1x1w h GLN 104 Ca -0.04 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.37 1x1w h GLN 104 Cb 0.64 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.27 1x1w h GLN 104 CO 0.05 0.36 -0.71 0.95 -0.67 0.00 0.00 178.83 178.81 1x1w s THR 105 N -4.64 1.04 0.09 -0.54 -4.23 -1.26 -5.12 115.64 100.97 1x1w s THR 105 Ca -0.15 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 1x1w s THR 105 Cb 0.02 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1x1w s THR 105 CO 0.66 -0.76 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.50 1x1w s PHE 106 N -3.32 1.11 -0.06 3.99 0.08 -1.26 -4.52 117.98 114.00 1x1w s PHE 106 Ca 0.15 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.66 1x1w s PHE 106 Cb 0.03 -0.61 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1x1w s PHE 106 CO -0.01 0.03 -0.13 0.99 -0.10 0.00 0.00 175.22 176.00 1x1w s THR 107 N -1.94 1.17 -0.08 0.64 2.01 -0.26 -4.94 115.64 112.24 1x1w s THR 107 Ca 0.02 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1x1w s THR 107 Cb -0.06 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1x1w s THR 107 CO 0.01 0.36 1.04 -0.75 -0.69 0.00 0.00 174.62 174.60 1x1w s LYS 108 N 0.51 4.42 0.00 4.92 2.20 -1.26 -0.94 119.74 129.59 1x1w s LYS 108 Ca -0.12 1.46 0.05 0.00 -0.36 0.00 0.00 55.97 57.00 1x1w s LYS 108 Cb -0.14 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1x1w s LYS 108 CO 0.03 -0.31 0.34 0.44 -0.36 0.00 0.00 175.35 175.49 1x1w n ILE 109 N 4.48 0.00 -1.60 5.43 -5.35 -0.08 -4.97 119.36 117.26 1x1w n ILE 109 Ca 0.09 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1x1w n ILE 109 Cb 0.48 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 1x1w n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33