#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1u s GLN 2 N 0.00 4.31 -0.02 0.00 -0.21 -1.26 -5.05 119.66 117.43 1x1u s GLN 2 Ca 0.00 1.03 0.01 0.00 0.02 0.00 0.00 55.36 56.42 1x1u s GLN 2 Cb 0.00 -3.56 0.02 0.00 1.00 0.00 0.00 33.01 30.46 1x1u s GLN 2 CO 0.00 -0.30 -0.01 0.08 -2.12 0.00 0.00 175.29 172.93 1x1u s VAL 3 N 2.06 0.25 -0.23 1.09 1.01 -1.26 -4.42 120.40 118.90 1x1u s VAL 3 Ca 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 1x1u s VAL 3 Cb -0.17 -0.30 0.08 0.00 0.00 0.00 0.00 36.38 35.99 1x1u s VAL 3 CO 0.13 0.14 0.09 -0.63 0.00 0.00 0.00 175.10 174.83 1x1u s ILE 4 N 0.72 0.13 -0.02 2.22 -1.09 -1.26 -5.03 121.20 116.87 1x1u s ILE 4 Ca -0.07 -0.57 0.03 0.00 -2.23 0.00 0.00 60.65 57.80 1x1u s ILE 4 Cb -0.11 -0.91 0.04 0.00 -1.58 0.00 0.00 42.46 39.90 1x1u s ILE 4 CO -0.01 -0.46 0.83 -0.46 -1.23 0.00 0.00 174.94 173.61 1x1u n ASN 5 N 5.18 0.83 -4.94 3.58 2.04 -1.26 -4.76 115.26 115.93 1x1u n ASN 5 Ca -0.06 -1.78 -0.24 0.00 -0.44 0.00 0.00 54.58 52.06 1x1u n ASN 5 Cb 0.46 -0.11 -0.01 0.00 -2.53 0.00 0.00 39.78 37.58 1x1u n ASN 5 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1x1u s THR 6 N -0.66 5.10 0.14 5.53 -4.23 -1.26 -0.57 115.64 119.68 1x1u s THR 6 Ca 0.05 -0.42 -0.23 0.00 -1.18 0.00 0.00 61.69 59.90 1x1u s THR 6 Cb 0.04 -3.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 1x1u s THR 6 CO 0.00 -0.56 1.63 -0.26 -0.54 0.00 0.00 174.62 174.90 1x1u h PHE 7 N 0.77 -0.64 -0.43 3.99 0.04 -1.98 0.12 116.94 118.81 1x1u h PHE 7 Ca -0.50 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.22 1x1u h PHE 7 Cb 1.22 0.31 -0.01 0.00 2.20 0.00 0.00 35.95 39.66 1x1u h PHE 7 CO 0.51 -0.32 -0.09 -0.44 -0.60 0.00 0.00 178.31 177.38 1x1u h ASP 8 N -0.29 0.83 -0.12 2.17 3.32 -1.97 0.24 116.42 120.59 1x1u h ASP 8 Ca 0.11 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1x1u h ASP 8 Cb 0.45 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1x1u h ASP 8 CO -0.32 0.99 0.08 1.23 -1.72 0.00 0.00 179.24 179.50 1x1u h GLY 9 N 0.65 0.17 1.53 2.75 0.00 -1.91 0.20 103.07 106.47 1x1u h GLY 9 Ca 0.11 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.19 1x1u h GLY 9 CO 0.04 0.06 -0.71 -2.08 0.00 0.00 0.00 176.54 173.85 1x1u h VAL 10 N 0.16 1.36 -0.37 4.60 2.07 -0.95 -1.60 116.25 121.52 1x1u h VAL 10 Ca 0.04 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 65.44 1x1u h VAL 10 Cb -0.01 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1x1u h VAL 10 CO -0.01 0.63 0.04 0.00 0.02 0.00 0.00 177.57 178.25 1x1u h ALA 11 N 0.90 0.49 -0.10 1.67 0.00 -0.31 0.27 119.26 122.18 1x1u h ALA 11 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1x1u h ALA 11 Cb 1.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1x1u h ALA 11 CO 0.13 0.22 0.04 -0.44 0.00 0.00 0.00 179.25 179.20 1x1u h ASP 12 N 0.46 0.14 -0.74 0.00 3.32 -0.58 -2.53 116.42 116.49 1x1u h ASP 12 Ca 0.11 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.05 1x1u h ASP 12 Cb 0.40 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1x1u h ASP 12 CO 0.01 0.27 0.44 0.22 -1.72 0.00 0.00 179.24 178.46 1x1u h TYR 13 N 0.01 0.82 -0.77 4.55 5.03 -1.15 0.19 116.97 125.64 1x1u h TYR 13 Ca 0.03 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.42 1x1u h TYR 13 Cb 0.17 -0.26 -0.05 0.00 1.55 0.00 0.00 36.73 38.14 1x1u h TYR 13 CO -0.02 0.42 0.47 -0.07 -1.32 0.00 0.00 178.16 177.65 1x1u h LEU 14 N 0.83 0.75 0.20 2.82 3.38 -0.24 0.26 115.31 123.31 1x1u h LEU 14 Ca 0.32 0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.96 1x1u h LEU 14 Cb 0.13 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.75 1x1u h LEU 14 CO -0.16 0.50 -1.64 1.56 0.09 0.00 0.00 178.44 178.79 1x1u h GLN 15 N 0.89 0.41 -0.51 1.13 4.20 -1.03 0.11 115.11 120.33 1x1u h GLN 15 Ca 0.33 -0.71 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 1x1u h GLN 15 Cb 0.11 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1x1u h GLN 15 CO -0.15 1.32 0.02 1.15 -0.67 0.00 0.00 178.83 180.51 1x1u h THR 16 N 0.11 1.24 0.00 -0.54 2.02 -0.52 -3.31 112.91 111.92 1x1u h THR 16 Ca -0.30 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1x1u h THR 16 Cb 2.11 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1x1u h THR 16 CO 0.20 0.36 0.00 -1.22 0.37 0.00 0.00 175.52 175.23 1x1u n TYR 17 N -4.22 0.00 -3.72 3.16 4.01 0.89 -5.02 117.16 112.26 1x1u n TYR 17 Ca 0.03 -0.04 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 1x1u n TYR 17 Cb 0.30 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1x1u n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1u n HIS 18 N -0.04 -2.02 -3.49 -0.72 8.25 0.39 -4.93 115.22 112.66 1x1u n HIS 18 Ca 0.00 0.72 -0.09 0.00 -0.26 0.00 0.00 57.72 58.08 1x1u n HIS 18 Cb 0.02 -3.50 -0.02 0.00 1.12 0.00 0.00 29.99 27.61 1x1u n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1u s LYS 19 N -6.41 0.91 0.49 -0.41 -2.85 -1.23 -5.04 119.74 105.20 1x1u s LYS 19 Ca 0.57 -0.31 -0.18 0.00 -1.00 0.00 0.00 55.97 55.05 1x1u s LYS 19 Cb -0.29 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 35.81 1x1u s LYS 19 CO 0.70 -0.39 0.98 -0.51 0.10 0.00 0.00 175.35 176.23 1x1u s LEU 20 N -2.47 3.73 1.13 2.77 1.43 -1.26 -3.96 118.68 120.05 1x1u s LEU 20 Ca 0.04 1.65 -0.13 0.00 -1.03 0.00 0.00 54.13 54.66 1x1u s LEU 20 Cb -0.01 -4.52 0.25 0.00 0.03 0.00 0.00 46.19 41.93 1x1u s LEU 20 CO -0.09 -0.57 0.92 -2.65 0.23 0.00 0.00 176.35 174.19 1x1u n PRO 21 N -1.27 -2.07 0.06 1.29 -0.02 -1.26 -4.87 135.00 126.86 1x1u n PRO 21 Ca 0.07 -0.57 0.10 0.00 -2.02 0.00 0.00 63.50 61.08 1x1u n PRO 21 Cb 0.54 -2.15 0.42 0.00 -0.02 0.00 0.00 33.50 32.29 1x1u n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1x1u n ASP 22 N -4.47 0.33 -0.22 2.55 10.43 -1.26 -3.15 116.55 120.76 1x1u n ASP 22 Ca 0.04 0.57 0.00 0.00 2.57 0.00 0.00 54.79 57.97 1x1u n ASP 22 Cb 0.54 -0.64 0.00 0.00 1.84 0.00 0.00 41.12 42.86 1x1u n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1x1u n ASN 23 N -1.85 0.45 -4.47 -2.24 6.94 -1.26 -4.81 115.26 108.01 1x1u n ASN 23 Ca 0.03 -1.99 -0.32 0.00 -0.02 0.00 0.00 54.58 52.29 1x1u n ASN 23 Cb 0.23 -0.22 -0.13 0.00 -2.36 0.00 0.00 39.78 37.30 1x1u n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1u s TYR 24 N -1.55 2.64 -0.07 -2.53 2.02 -1.19 -1.01 117.35 115.66 1x1u s TYR 24 Ca 0.00 -0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.44 1x1u s TYR 24 Cb 0.00 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1x1u s TYR 24 CO 0.00 0.22 0.18 0.96 -1.57 0.00 0.00 175.55 175.34 1x1u s ILE 25 N -0.84 -0.01 1.02 2.71 -0.00 -0.42 -4.91 121.20 118.75 1x1u s ILE 25 Ca 0.13 0.03 -0.11 0.00 -0.00 0.00 0.00 60.65 60.70 1x1u s ILE 25 Cb -0.11 -0.27 0.20 0.00 -0.00 0.00 0.00 42.46 42.29 1x1u s ILE 25 CO 0.03 0.01 1.09 0.42 -0.00 0.00 0.00 174.94 176.50 1x1u s THR 26 N 0.30 2.09 0.26 8.37 -4.23 -1.15 -2.16 115.64 119.12 1x1u s THR 26 Ca -0.02 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.47 1x1u s THR 26 Cb -0.03 -2.08 0.26 0.00 1.34 0.00 0.00 72.50 71.99 1x1u s THR 26 CO -0.01 -0.04 1.94 0.11 -0.54 0.00 0.00 174.62 176.08 1x1u h LYS 27 N -2.17 1.27 0.99 3.99 1.57 -1.96 -0.80 116.57 119.46 1x1u h LYS 27 Ca -0.51 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.15 1x1u h LYS 27 Cb 1.29 -0.29 0.01 0.00 0.08 0.00 0.00 32.23 33.33 1x1u h LYS 27 CO 0.46 0.84 -0.49 1.03 -0.57 0.00 0.00 179.45 180.72 1x1u h SER 28 N 1.31 -1.17 -0.85 0.86 0.87 -1.98 0.99 113.55 113.58 1x1u h SER 28 Ca 0.36 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 61.10 1x1u h SER 28 Cb -0.14 0.31 -0.09 0.00 -0.44 0.00 0.00 62.40 62.03 1x1u h SER 28 CO -0.08 -0.82 0.45 -0.33 -0.53 0.00 0.00 176.83 175.52 1x1u h GLU 29 N -1.34 0.64 -0.12 2.24 5.08 -1.87 0.14 114.58 119.34 1x1u h GLU 29 Ca -0.13 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1x1u h GLU 29 Cb 1.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1x1u h GLU 29 CO 0.21 0.43 -0.27 0.00 -1.00 0.00 0.00 179.01 178.37 1x1u h ALA 30 N 1.54 1.31 -0.06 3.43 0.00 -0.94 -2.05 119.26 122.50 1x1u h ALA 30 Ca 0.45 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1x1u h ALA 30 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1x1u h ALA 30 CO -0.34 0.47 -0.53 0.37 0.00 0.00 0.00 179.25 179.22 1x1u h GLN 31 N 0.20 0.16 0.00 0.00 4.15 0.17 0.55 115.11 120.35 1x1u h GLN 31 Ca 0.03 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 1x1u h GLN 31 Cb 0.60 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1x1u h GLN 31 CO 0.04 0.65 -0.36 0.00 -1.93 0.00 0.00 178.83 177.24 1x1u h ALA 32 N 1.33 1.09 -0.00 3.38 0.00 -0.31 -2.18 119.26 122.57 1x1u h ALA 32 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1x1u h ALA 32 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x1u h ALA 32 CO 0.08 0.45 -0.09 1.28 0.00 0.00 0.00 179.25 180.97 1x1u n LEU 33 N -3.65 0.47 0.00 0.00 4.77 -0.92 -4.90 117.00 112.77 1x1u n LEU 33 Ca -0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1x1u n LEU 33 Cb 0.47 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1x1u n LEU 33 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1x1u n GLY 34 N 1.25 1.14 3.74 -0.72 0.00 -0.82 -4.78 105.19 105.00 1x1u n GLY 34 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1x1u n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1u s TRP 35 N -2.00 3.09 -0.30 1.61 -0.00 0.15 -4.95 118.94 116.54 1x1u s TRP 35 Ca 0.00 1.11 -0.01 0.00 -0.00 0.00 0.00 56.10 57.20 1x1u s TRP 35 Cb 0.00 -3.75 0.10 0.00 -0.00 0.00 0.00 33.47 29.82 1x1u s TRP 35 CO 0.00 -2.38 0.10 0.08 -0.00 0.00 0.00 176.95 174.75 1x1u s VAL 36 N -0.06 0.77 0.16 5.86 1.01 -1.26 -4.56 120.40 122.32 1x1u s VAL 36 Ca 0.58 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 1x1u s VAL 36 Cb -0.40 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 34.51 1x1u s VAL 36 CO 0.42 -0.65 1.25 0.00 0.00 0.00 0.00 175.10 176.12 1x1u n ALA 37 N 4.90 -0.28 0.16 5.51 0.00 -1.26 0.02 120.51 129.56 1x1u n ALA 37 Ca -0.03 0.75 0.02 0.00 0.00 0.00 0.00 53.44 54.18 1x1u n ALA 37 Cb 0.42 -0.25 0.09 0.00 0.00 0.00 0.00 19.45 19.71 1x1u n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x1u n SER 38 N -5.11 0.00 0.02 0.00 3.41 -1.26 -0.81 113.62 109.87 1x1u n SER 38 Ca 0.05 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.13 1x1u n SER 38 Cb 0.27 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.72 1x1u n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x1u n LYS 39 N -1.38 0.62 -3.52 4.33 5.02 0.10 -4.97 118.16 118.35 1x1u n LYS 39 Ca 0.01 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 55.98 1x1u n LYS 39 Cb 0.04 -1.60 0.08 0.00 -0.02 0.00 0.00 35.03 33.53 1x1u n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1u n GLY 40 N 1.25 -0.46 1.23 0.72 0.00 0.01 -4.92 105.19 103.02 1x1u n GLY 40 Ca -0.03 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1x1u n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1u n ASN 41 N -2.84 4.46 -0.25 1.61 6.94 -1.26 -3.82 115.26 120.10 1x1u n ASN 41 Ca -0.03 -2.91 0.06 0.00 -0.02 0.00 0.00 54.58 51.68 1x1u n ASN 41 Cb 0.57 -0.57 0.18 0.00 -2.36 0.00 0.00 39.78 37.60 1x1u n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1u h LEU 42 N 2.62 -0.05 -2.05 -4.53 5.85 -1.89 0.18 115.31 115.45 1x1u h LEU 42 Ca 0.00 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1x1u h LEU 42 Cb 1.57 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 1x1u h LEU 42 CO 0.29 -0.07 -0.05 0.00 -0.34 0.00 0.00 178.44 178.28 1x1u h ALA 43 N 1.63 1.75 -0.28 1.25 0.00 -1.84 -0.39 119.26 121.37 1x1u h ALA 43 Ca 0.42 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1x1u h ALA 43 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1x1u h ALA 43 CO -0.54 0.06 -0.21 -0.44 0.00 0.00 0.00 179.25 178.12 1x1u h ASP 44 N 0.00 0.68 0.11 0.00 3.45 -0.99 -2.53 116.42 117.14 1x1u h ASP 44 Ca -0.00 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.01 1x1u h ASP 44 Cb 0.09 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1x1u h ASP 44 CO 0.01 0.98 -0.44 1.33 -1.57 0.00 0.00 179.24 179.55 1x1u n VAL 45 N -4.34 0.00 -2.76 -1.35 0.24 -1.05 -4.62 118.33 104.45 1x1u n VAL 45 Ca -0.04 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 62.01 1x1u n VAL 45 Cb 0.42 0.84 0.06 0.00 -1.47 0.00 0.00 33.84 33.69 1x1u n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1u n ALA 46 N -0.48 -1.18 -1.60 2.33 0.00 -0.18 -4.89 120.51 114.51 1x1u n ALA 46 Ca 0.10 -1.47 -0.47 0.00 0.00 0.00 0.00 53.44 51.59 1x1u n ALA 46 Cb 0.40 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1x1u n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1u n PRO 47 N 1.36 1.39 -0.74 0.00 -0.02 -0.95 -0.87 135.00 135.16 1x1u n PRO 47 Ca 0.09 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1x1u n PRO 47 Cb 0.64 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1x1u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1u n GLY 48 N 1.93 0.92 3.95 -1.23 0.00 -1.26 -5.00 105.19 104.49 1x1u n GLY 48 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1x1u n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1u s LYS 49 N -0.24 3.48 0.05 1.61 -0.14 -0.04 -4.78 119.74 119.67 1x1u s LYS 49 Ca 0.00 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 1x1u s LYS 49 Cb 0.00 -2.74 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1x1u s LYS 49 CO 0.00 0.24 -0.05 -1.12 -0.76 0.00 0.00 175.35 173.66 1x1u s SER 50 N -3.93 0.68 0.11 2.83 0.01 -0.18 -4.83 113.70 108.39 1x1u s SER 50 Ca 0.38 -0.73 -0.31 0.00 1.31 0.00 0.00 55.95 56.60 1x1u s SER 50 Cb -0.10 0.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.17 1x1u s SER 50 CO 0.33 -0.37 1.25 -0.63 0.41 0.00 0.00 173.24 174.23 1x1u s ILE 51 N -2.44 3.71 0.00 1.44 -1.09 -1.26 -1.30 121.20 120.26 1x1u s ILE 51 Ca -0.03 1.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.67 1x1u s ILE 51 Cb -0.03 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1x1u s ILE 51 CO -0.03 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 1x1u n GLY 52 N 2.96 1.26 0.00 6.18 0.00 -0.92 -0.25 105.19 114.42 1x1u n GLY 52 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1x1u n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1u n GLY 53 N -0.14 1.67 3.75 -0.02 0.00 0.29 -2.93 105.19 107.80 1x1u n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1x1u n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1u s ASP 54 N -1.70 4.46 0.17 1.61 1.01 -1.22 -4.72 116.67 116.27 1x1u s ASP 54 Ca 0.00 2.04 -0.31 0.00 0.71 0.00 0.00 52.55 55.00 1x1u s ASP 54 Cb 0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1x1u s ASP 54 CO 0.00 -2.07 1.41 -0.63 0.21 0.00 0.00 175.17 174.09 1x1u s ILE 55 N -2.48 3.04 -0.31 0.77 1.09 -1.26 -1.82 121.20 120.23 1x1u s ILE 55 Ca 0.67 0.79 -0.08 0.00 -1.10 0.00 0.00 60.65 60.92 1x1u s ILE 55 Cb -0.21 -3.51 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1x1u s ILE 55 CO 0.49 0.09 0.12 0.12 -0.10 0.00 0.00 174.94 175.66 1x1u s PHE 56 N 0.69 3.17 -1.26 3.97 5.36 0.32 -4.79 117.98 125.44 1x1u s PHE 56 Ca 0.63 -0.79 0.24 0.00 -0.96 0.00 0.00 56.93 56.05 1x1u s PHE 56 Cb -0.39 -2.31 1.13 0.00 -0.34 0.00 0.00 43.02 41.11 1x1u s PHE 56 CO 0.34 -0.53 1.78 0.43 -1.46 0.00 0.00 175.22 175.79 1x1u n SER 57 N 4.93 0.00 -3.95 6.13 7.64 -1.26 -4.18 113.62 122.93 1x1u n SER 57 Ca -0.14 0.17 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 1x1u n SER 57 Cb 0.48 -0.37 -0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1x1u n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x1u n ASN 58 N -1.37 -2.58 0.24 6.43 5.15 -1.26 -4.83 115.26 117.04 1x1u n ASN 58 Ca 0.09 -1.11 0.08 0.00 -0.60 0.00 0.00 54.58 53.04 1x1u n ASN 58 Cb 0.23 -2.64 0.60 0.00 -0.53 0.00 0.00 39.78 37.43 1x1u n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1u h ARG 59 N -2.04 0.00 -0.01 1.20 3.08 -2.01 -1.53 114.38 113.07 1x1u h ARG 59 Ca -0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1x1u h ARG 59 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1x1u h ARG 59 CO 0.57 0.13 -0.00 0.39 -1.07 0.00 0.00 179.97 179.99 1x1u n GLU 60 N -4.18 1.62 -2.18 0.04 -0.58 -1.26 -4.90 120.64 109.20 1x1u n GLU 60 Ca -0.02 -0.91 -0.19 0.00 -0.42 0.00 0.00 57.16 55.61 1x1u n GLU 60 Cb 0.21 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 1x1u n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x1u n GLY 61 N 1.17 0.09 0.17 0.62 0.00 -0.58 -4.87 105.19 101.79 1x1u n GLY 61 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1x1u n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1u h LYS 62 N 0.00 0.06 -6.03 1.61 1.79 -1.91 -3.45 116.57 108.64 1x1u h LYS 62 Ca -0.44 -0.03 -0.58 0.00 -2.18 0.00 0.00 60.65 57.42 1x1u h LYS 62 Cb 1.32 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 1x1u h LYS 62 CO 0.55 0.50 -0.44 -0.51 -1.08 0.00 0.00 179.45 178.47 1x1u s LEU 63 N -8.05 4.32 -0.10 2.94 1.43 -1.26 -5.02 118.68 112.94 1x1u s LEU 63 Ca -0.03 0.31 -0.32 0.00 -1.03 0.00 0.00 54.13 53.06 1x1u s LEU 63 Cb 0.14 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 1x1u s LEU 63 CO 0.75 0.09 2.00 -2.65 0.23 0.00 0.00 176.35 176.76 1x1u n PRO 64 N -0.12 2.22 -3.66 1.29 -0.02 -1.26 -4.98 135.00 128.47 1x1u n PRO 64 Ca -0.05 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 61.99 1x1u n PRO 64 Cb 0.52 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 1x1u n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1x1u s GLY 65 N 5.23 1.88 0.00 -1.23 0.00 -1.26 -5.07 107.32 106.87 1x1u s GLY 65 Ca 0.95 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1x1u s GLY 65 CO 0.46 -1.59 0.00 0.58 0.00 0.00 0.00 173.10 172.55 1x1u n LYS 66 N -1.48 0.00 -1.51 2.90 2.85 -1.26 -5.07 118.16 114.59 1x1u n LYS 66 Ca 0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.85 1x1u n LYS 66 Cb 0.60 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.99 1x1u n LYS 66 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x1u n SER 67 N 0.00 -0.04 0.00 -5.58 2.88 -1.26 -1.20 113.62 108.42 1x1u n SER 67 Ca 0.00 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1x1u n SER 67 Cb 0.00 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1x1u n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1u n GLY 68 N 1.56 2.73 3.81 0.46 0.00 -1.26 -5.00 105.19 107.48 1x1u n GLY 68 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1x1u n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1u s ARG 69 N -0.05 4.29 0.01 1.61 3.52 -0.34 -4.97 118.95 123.01 1x1u s ARG 69 Ca 0.00 0.90 0.02 0.00 -0.13 0.00 0.00 55.73 56.51 1x1u s ARG 69 Cb 0.00 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 1x1u s ARG 69 CO 0.00 0.44 -0.06 0.95 -0.81 0.00 0.00 175.30 175.82 1x1u s THR 70 N -1.44 0.42 0.19 4.11 -4.23 -1.26 -4.79 115.64 108.64 1x1u s THR 70 Ca 0.41 -0.49 0.08 0.00 -1.18 0.00 0.00 61.69 60.51 1x1u s THR 70 Cb -0.18 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 1x1u s THR 70 CO 0.22 -0.06 -0.03 0.26 -0.54 0.00 0.00 174.62 174.46 1x1u s TRP 71 N -0.54 2.75 0.14 3.99 0.52 -1.26 0.16 118.94 124.71 1x1u s TRP 71 Ca -0.02 -0.18 -0.03 0.00 0.02 0.00 0.00 56.10 55.89 1x1u s TRP 71 Cb -0.05 -1.32 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1x1u s TRP 71 CO -0.00 0.53 0.10 1.03 0.02 0.00 0.00 176.95 178.63 1x1u s ARG 72 N -3.01 0.97 0.04 4.98 0.52 0.03 -0.52 118.95 121.96 1x1u s ARG 72 Ca 0.27 -1.38 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 1x1u s ARG 72 Cb -0.09 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 1x1u s ARG 72 CO 0.18 -0.29 -0.00 -1.83 0.02 0.00 0.00 175.30 173.37 1x1u s GLU 73 N -4.03 0.54 -0.01 3.54 -1.05 -0.76 -1.10 118.70 115.83 1x1u s GLU 73 Ca 0.23 -0.99 -0.11 0.00 -0.15 0.00 0.00 54.97 53.95 1x1u s GLU 73 Cb 0.07 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 1x1u s GLU 73 CO 0.01 -0.11 0.22 0.00 0.95 0.00 0.00 175.26 176.34 1x1u s ALA 74 N -3.10 -0.56 0.27 -0.84 0.00 -0.54 -0.55 121.76 116.45 1x1u s ALA 74 Ca -0.01 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 1x1u s ALA 74 Cb 0.02 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 1x1u s ALA 74 CO -0.07 -0.23 1.08 -0.51 0.00 0.00 0.00 175.76 176.04 1x1u s ASP 75 N -1.28 7.30 0.02 0.00 1.11 0.65 -0.45 116.67 124.02 1x1u s ASP 75 Ca -0.13 2.24 0.08 0.00 0.18 0.00 0.00 52.55 54.92 1x1u s ASP 75 Cb -0.06 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.28 1x1u s ASP 75 CO 0.03 -0.12 -0.25 -0.63 1.18 0.00 0.00 175.17 175.39 1x1u s ILE 76 N -1.14 2.25 -1.52 0.77 -1.09 -0.57 -4.66 121.20 115.23 1x1u s ILE 76 Ca 0.44 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 1x1u s ILE 76 Cb -0.31 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 1x1u s ILE 76 CO 0.40 0.45 0.00 0.59 -1.23 0.00 0.00 174.94 175.15 1x1u n ASN 77 N 1.99 -4.72 -4.83 3.58 3.02 0.26 -4.54 115.26 110.02 1x1u n ASN 77 Ca -0.17 0.35 -0.37 0.00 -0.03 0.00 0.00 54.58 54.37 1x1u n ASN 77 Cb 0.52 -3.49 -0.06 0.00 -0.61 0.00 0.00 39.78 36.14 1x1u n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1u s TYR 78 N -2.53 3.69 0.00 3.10 5.04 -1.26 -4.95 117.35 120.43 1x1u s TYR 78 Ca 0.00 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1x1u s TYR 78 Cb 0.00 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.90 1x1u s TYR 78 CO 0.00 0.51 0.00 2.41 -1.34 0.00 0.00 175.55 177.13 1x1u n THR 79 N 1.23 0.00 -3.58 4.34 -1.04 -1.26 -4.93 114.28 109.04 1x1u n THR 79 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.88 1x1u n THR 79 Cb 0.51 -0.54 -0.02 0.00 -1.82 0.00 0.00 70.33 68.47 1x1u n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x1u s SER 80 N -4.22 -0.17 0.00 8.00 1.04 -1.26 -4.70 113.70 112.39 1x1u s SER 80 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1x1u s SER 80 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1x1u s SER 80 CO 0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1x1u n GLY 81 N -0.17 -0.37 3.77 7.32 0.00 -1.25 -4.91 105.19 109.59 1x1u n GLY 81 Ca -0.02 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 1x1u n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1u s PHE 82 N 0.00 3.59 0.60 1.61 0.08 -1.26 -4.53 117.98 118.07 1x1u s PHE 82 Ca 0.00 1.75 -0.19 0.00 0.12 0.00 0.00 56.93 58.60 1x1u s PHE 82 Cb 0.00 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 1x1u s PHE 82 CO 0.00 -0.16 1.29 1.03 -0.10 0.00 0.00 175.22 177.28 1x1u s ARG 83 N -1.91 2.85 0.00 0.44 0.52 -1.26 -5.03 118.95 114.56 1x1u s ARG 83 Ca 0.50 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 1x1u s ARG 83 Cb -0.24 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1x1u s ARG 83 CO 0.30 -1.36 0.00 0.27 0.02 0.00 0.00 175.30 174.53 1x1u n ASN 84 N -1.53 0.00 -0.90 0.23 0.23 -1.26 -5.03 115.26 107.00 1x1u n ASN 84 Ca 0.13 -0.34 0.08 0.00 -0.53 0.00 0.00 54.58 53.93 1x1u n ASN 84 Cb 0.47 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.43 1x1u n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1u n SER 85 N -1.01 3.83 -4.63 0.53 3.41 -1.26 -4.96 113.62 109.53 1x1u n SER 85 Ca 0.00 -2.86 -0.37 0.00 -0.26 0.00 0.00 58.87 55.38 1x1u n SER 85 Cb 0.00 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.34 1x1u n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1u s ASP 86 N -1.74 5.97 0.02 4.04 -0.00 -1.26 -2.56 116.67 121.13 1x1u s ASP 86 Ca 0.40 0.06 -0.00 0.00 -0.00 0.00 0.00 52.55 53.00 1x1u s ASP 86 Cb 0.31 -2.08 -0.02 0.00 -0.00 0.00 0.00 42.92 41.14 1x1u s ASP 86 CO 0.10 0.04 -0.02 -0.13 -0.00 0.00 0.00 175.17 175.17 1x1u s ARG 87 N 1.18 0.29 0.04 8.23 1.81 0.15 -1.52 118.95 129.12 1x1u s ARG 87 Ca 0.07 -0.54 0.04 0.00 -1.72 0.00 0.00 55.73 53.58 1x1u s ARG 87 Cb -0.14 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 1x1u s ARG 87 CO 0.05 -0.05 -0.07 -1.50 -0.68 0.00 0.00 175.30 173.05 1x1u s ILE 88 N -1.32 3.59 -0.10 1.52 2.07 0.41 -1.14 121.20 126.23 1x1u s ILE 88 Ca -0.14 -0.92 0.02 0.00 -1.41 0.00 0.00 60.65 58.19 1x1u s ILE 88 Cb -0.09 -2.60 0.02 0.00 0.13 0.00 0.00 42.46 39.92 1x1u s ILE 88 CO -0.01 0.30 -0.14 -0.76 -1.91 0.00 0.00 174.94 172.43 1x1u s LEU 89 N -1.69 1.64 0.00 8.50 2.01 0.67 -1.47 118.68 128.34 1x1u s LEU 89 Ca 0.19 -0.38 0.03 0.00 0.01 0.00 0.00 54.13 53.97 1x1u s LEU 89 Cb -0.11 -1.00 -0.01 0.00 0.01 0.00 0.00 46.19 45.08 1x1u s LEU 89 CO 0.10 0.00 -0.08 -0.72 1.01 0.00 0.00 176.35 176.66 1x1u s TYR 90 N 1.00 0.74 0.43 0.29 1.13 -0.26 -1.12 117.35 119.56 1x1u s TYR 90 Ca -0.07 -0.17 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 1x1u s TYR 90 Cb -0.15 -0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.25 1x1u s TYR 90 CO -0.01 -0.01 0.62 -1.54 -2.51 0.00 0.00 175.55 172.09 1x1u s SER 91 N -0.35 5.73 0.54 -0.18 1.04 -0.69 -0.79 113.70 119.00 1x1u s SER 91 Ca 0.02 -0.02 0.26 0.00 0.48 0.00 0.00 55.95 56.68 1x1u s SER 91 Cb -0.04 -1.18 1.52 0.00 0.10 0.00 0.00 66.02 66.42 1x1u s SER 91 CO -0.00 -0.72 2.14 0.77 0.98 0.00 0.00 173.24 176.41 1x1u h SER 92 N 0.52 0.00 -0.58 7.02 4.64 -0.64 0.28 113.55 124.78 1x1u h SER 92 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1x1u h SER 92 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1x1u h SER 92 CO 0.53 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1x1u n ASP 93 N -3.89 5.39 -2.85 4.97 5.75 -1.26 -4.95 116.55 119.70 1x1u n ASP 93 Ca -0.02 -2.79 -0.20 0.00 -0.01 0.00 0.00 54.79 51.77 1x1u n ASP 93 Cb 0.17 -0.66 0.05 0.00 -1.03 0.00 0.00 41.12 39.65 1x1u n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1u n TRP 94 N 0.73 -2.05 -2.69 2.11 7.02 0.09 -5.02 117.44 117.63 1x1u n TRP 94 Ca 0.27 0.64 -0.40 0.00 -1.02 0.00 0.00 57.50 56.98 1x1u n TRP 94 Cb 1.10 -4.22 -0.05 0.00 -2.42 0.00 0.00 31.31 25.72 1x1u n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1u s LEU 95 N -6.07 4.60 -0.18 -0.99 1.02 -1.26 -4.80 118.68 111.01 1x1u s LEU 95 Ca 0.37 1.97 0.01 0.00 0.02 0.00 0.00 54.13 56.50 1x1u s LEU 95 Cb -0.16 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.47 1x1u s LEU 95 CO 0.46 0.05 -0.14 -0.63 0.02 0.00 0.00 176.35 176.10 1x1u s ILE 96 N -0.87 1.76 0.27 -0.59 -1.09 -1.26 -1.71 121.20 117.72 1x1u s ILE 96 Ca 0.43 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 58.04 1x1u s ILE 96 Cb -0.26 -1.69 -0.06 0.00 -1.58 0.00 0.00 42.46 38.86 1x1u s ILE 96 CO 0.33 0.37 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.03 1x1u s TYR 97 N 1.39 1.93 0.06 3.97 1.51 -0.27 0.01 117.35 125.95 1x1u s TYR 97 Ca 0.02 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.41 1x1u s TYR 97 Cb -0.14 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1x1u s TYR 97 CO -0.10 0.31 -0.03 -1.59 -1.11 0.00 0.00 175.55 173.03 1x1u s LYS 98 N -3.71 0.65 -0.03 -0.62 -2.85 0.10 -0.24 119.74 113.04 1x1u s LYS 98 Ca 0.29 -1.24 -0.02 0.00 -1.00 0.00 0.00 55.97 54.00 1x1u s LYS 98 Cb 0.03 0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.99 1x1u s LYS 98 CO 0.11 -0.11 0.07 -0.08 0.10 0.00 0.00 175.35 175.44 1x1u s THR 99 N -3.90 -0.02 -0.01 3.79 -1.32 -0.29 -0.62 115.64 113.27 1x1u s THR 99 Ca 0.08 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.66 1x1u s THR 99 Cb 0.08 -0.12 0.03 0.00 -1.51 0.00 0.00 72.50 70.98 1x1u s THR 99 CO -0.09 0.03 0.93 0.35 -2.21 0.00 0.00 174.62 173.63 1x1u n THR 100 N 3.46 0.89 -2.57 5.08 -2.24 -1.25 -0.68 114.28 116.97 1x1u n THR 100 Ca -0.18 -0.93 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 1x1u n THR 100 Cb 0.56 0.51 0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1x1u n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1u n ASP 101 N -0.50 2.65 -3.73 3.42 5.68 -1.21 -4.69 116.55 118.18 1x1u n ASP 101 Ca 0.02 -2.71 -0.25 0.00 -0.50 0.00 0.00 54.79 51.34 1x1u n ASP 101 Cb 0.35 -0.45 0.02 0.00 -1.14 0.00 0.00 41.12 39.90 1x1u n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1u n HIS 102 N -0.53 -1.87 -1.10 2.11 -0.00 -1.06 -2.48 115.22 110.29 1x1u n HIS 102 Ca 0.19 0.69 -0.03 0.00 -0.00 0.00 0.00 57.72 58.57 1x1u n HIS 102 Cb 0.83 -3.90 -0.01 0.00 -0.00 0.00 0.00 29.99 26.91 1x1u n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1u n TYR 103 N -4.21 0.00 0.06 1.57 4.01 -1.26 -4.90 117.16 112.42 1x1u n TYR 103 Ca -0.22 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.39 1x1u n TYR 103 Cb 0.65 -1.48 -0.09 0.00 -0.31 0.00 0.00 39.34 38.11 1x1u n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1x1u h GLN 104 N 0.30 -0.18 -5.87 -0.72 4.20 -1.91 -3.46 115.11 107.48 1x1u h GLN 104 Ca -0.07 0.01 -0.51 0.00 0.06 0.00 0.00 58.65 58.14 1x1u h GLN 104 Cb 0.65 0.04 -0.16 0.00 0.30 0.00 0.00 27.48 28.31 1x1u h GLN 104 CO 0.10 0.24 -0.76 0.95 -0.67 0.00 0.00 178.83 178.69 1x1u s THR 105 N -4.10 1.89 -0.02 -0.54 -4.23 -1.26 -5.12 115.64 102.26 1x1u s THR 105 Ca -0.14 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.32 1x1u s THR 105 Cb 0.01 -1.97 -0.00 0.00 1.34 0.00 0.00 72.50 71.88 1x1u s THR 105 CO 0.57 -0.41 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.79 1x1u s PHE 106 N -2.40 0.94 -0.11 3.99 0.40 -1.26 -4.48 117.98 115.07 1x1u s PHE 106 Ca 0.20 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1x1u s PHE 106 Cb -0.04 -0.64 -0.01 0.00 0.51 0.00 0.00 43.02 42.84 1x1u s PHE 106 CO 0.08 -0.06 -0.19 0.99 0.70 0.00 0.00 175.22 176.74 1x1u s THR 107 N -0.01 2.54 0.17 0.64 2.01 0.21 -4.90 115.64 116.30 1x1u s THR 107 Ca 0.00 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 1x1u s THR 107 Cb -0.06 -2.01 -0.07 0.00 0.01 0.00 0.00 72.50 70.36 1x1u s THR 107 CO 0.00 0.55 1.08 -0.75 -0.69 0.00 0.00 174.62 174.81 1x1u s LYS 108 N 0.23 4.62 0.00 4.92 2.20 -1.26 0.03 119.74 130.47 1x1u s LYS 108 Ca -0.12 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1x1u s LYS 108 Cb -0.16 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1x1u s LYS 108 CO 0.07 0.11 0.13 0.44 -0.36 0.00 0.00 175.35 175.74 1x1u n ILE 109 N 2.37 0.00 -1.02 5.43 -5.35 0.10 -4.93 119.36 115.96 1x1u n ILE 109 Ca 0.02 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1x1u n ILE 109 Cb 0.46 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 1x1u n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33