#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3s s GLN 2 N 0.00 3.64 0.11 0.00 0.74 -1.26 -4.93 119.66 117.96 1b3s s GLN 2 Ca 0.00 1.65 -0.32 0.00 0.05 0.00 0.00 55.36 56.74 1b3s s GLN 2 Cb 0.00 -2.23 -0.11 0.00 1.10 0.00 0.00 33.01 31.77 1b3s s GLN 2 CO 0.00 -0.62 1.83 0.28 -0.55 0.00 0.00 175.29 176.22 1b3s n VAL 3 N -0.82 0.36 -3.81 1.34 0.31 -1.26 -4.96 118.33 109.49 1b3s n VAL 3 Ca 0.09 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 63.99 1b3s n VAL 3 Cb 0.50 -2.07 -0.13 0.00 -0.91 0.00 0.00 33.84 31.23 1b3s n VAL 3 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b3s s ILE 4 N 2.71 3.51 0.00 2.52 1.01 -1.26 -4.93 121.20 124.76 1b3s s ILE 4 Ca 0.83 -1.22 0.09 0.00 0.00 0.00 0.00 60.65 60.35 1b3s s ILE 4 Cb -0.51 -3.00 0.15 0.00 0.01 0.00 0.00 42.46 39.11 1b3s s ILE 4 CO 0.38 -0.15 1.00 -0.46 0.00 0.00 0.00 174.94 175.72 1b3s n ASN 5 N 4.75 0.26 -4.81 3.58 6.94 -1.26 -4.79 115.26 119.93 1b3s n ASN 5 Ca -0.13 -1.89 -0.29 0.00 -0.02 0.00 0.00 54.58 52.25 1b3s n ASN 5 Cb 0.44 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.64 1b3s n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b3s s THR 6 N 0.00 4.69 0.17 5.53 -4.23 -1.26 -0.78 115.64 119.76 1b3s s THR 6 Ca 0.12 -0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 59.65 1b3s s THR 6 Cb 0.14 -3.30 0.10 0.00 1.34 0.00 0.00 72.50 70.77 1b3s s THR 6 CO -0.06 0.07 1.61 -0.26 -0.54 0.00 0.00 174.62 175.43 1b3s h PHE 7 N 3.01 -0.73 -0.32 3.99 0.04 -1.98 0.14 116.94 121.09 1b3s h PHE 7 Ca -0.47 0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.28 1b3s h PHE 7 Cb 1.17 0.39 -0.01 0.00 2.20 0.00 0.00 35.95 39.70 1b3s h PHE 7 CO 0.60 -0.34 -0.11 -0.44 -0.60 0.00 0.00 178.31 177.41 1b3s h ASP 8 N -0.19 0.66 -0.22 2.17 3.32 -1.98 0.18 116.42 120.37 1b3s h ASP 8 Ca 0.20 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1b3s h ASP 8 Cb 0.51 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1b3s h ASP 8 CO -0.55 0.89 0.11 1.23 -1.72 0.00 0.00 179.24 179.21 1b3s h GLY 9 N 0.42 0.33 0.90 2.75 0.00 -1.82 0.32 103.07 105.97 1b3s h GLY 9 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 1b3s h GLY 9 CO 0.04 0.15 -0.02 -2.08 0.00 0.00 0.00 176.54 174.63 1b3s h VAL 10 N 0.24 1.26 -0.31 4.60 2.07 -0.69 -1.66 116.25 121.76 1b3s h VAL 10 Ca 0.08 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1b3s h VAL 10 Cb 0.09 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1b3s h VAL 10 CO -0.01 0.32 0.20 0.00 0.02 0.00 0.00 177.57 178.10 1b3s h ALA 11 N 0.84 0.39 -0.02 1.67 0.00 -0.46 0.35 119.26 122.03 1b3s h ALA 11 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1b3s h ALA 11 Cb 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1b3s h ALA 11 CO 0.02 -0.16 -0.06 -0.44 0.00 0.00 0.00 179.25 178.61 1b3s h ASP 12 N 0.40 -0.17 -0.43 0.00 3.32 -0.91 -1.51 116.42 117.13 1b3s h ASP 12 Ca 0.12 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.25 1b3s h ASP 12 Cb -0.03 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1b3s h ASP 12 CO -0.04 -0.08 0.16 0.22 -1.72 0.00 0.00 179.24 177.78 1b3s h TYR 13 N -0.09 0.29 -0.33 4.55 5.03 -0.72 0.23 116.97 125.93 1b3s h TYR 13 Ca 0.03 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.39 1b3s h TYR 13 Cb 0.13 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.32 1b3s h TYR 13 CO -0.14 0.12 0.16 -0.07 -1.32 0.00 0.00 178.16 176.91 1b3s h LEU 14 N 0.34 0.23 -0.42 2.82 3.38 0.05 0.14 115.31 121.84 1b3s h LEU 14 Ca 0.20 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 1b3s h LEU 14 Cb 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1b3s h LEU 14 CO -0.19 0.17 -0.74 1.56 0.09 0.00 0.00 178.44 179.33 1b3s h GLN 15 N 0.33 0.34 0.03 1.13 4.20 -0.99 0.63 115.11 120.78 1b3s h GLN 15 Ca 0.14 -0.28 -0.18 0.00 0.06 0.00 0.00 58.65 58.38 1b3s h GLN 15 Cb 0.06 0.06 0.02 0.00 0.30 0.00 0.00 27.48 27.91 1b3s h GLN 15 CO -0.10 0.93 -0.72 1.15 -0.67 0.00 0.00 178.83 179.42 1b3s h THR 16 N 0.23 1.41 -0.01 -0.54 2.02 -0.38 -3.38 112.91 112.26 1b3s h THR 16 Ca -0.03 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1b3s h THR 16 Cb 1.31 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1b3s h THR 16 CO 0.12 0.64 -0.24 -1.22 0.37 0.00 0.00 175.52 175.19 1b3s n TYR 17 N -4.14 0.00 -3.64 3.16 4.01 0.48 -5.01 117.16 112.01 1b3s n TYR 17 Ca -0.11 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.40 1b3s n TYR 17 Cb 0.74 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.83 1b3s n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b3s n HIS 18 N -0.20 -2.42 -3.72 -0.72 8.25 0.21 -4.97 115.22 111.66 1b3s n HIS 18 Ca 0.05 0.94 -0.04 0.00 -0.26 0.00 0.00 57.72 58.41 1b3s n HIS 18 Cb 0.25 -4.71 -0.01 0.00 1.12 0.00 0.00 29.99 26.63 1b3s n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b3s s LYS 19 N -6.08 1.16 0.32 -0.41 -2.85 -1.25 -5.07 119.74 105.56 1b3s s LYS 19 Ca 0.35 -0.62 -0.11 0.00 -1.00 0.00 0.00 55.97 54.60 1b3s s LYS 19 Cb -0.16 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 1b3s s LYS 19 CO 0.77 -0.53 0.68 -0.51 0.10 0.00 0.00 175.35 175.86 1b3s s LEU 20 N -2.88 4.01 0.85 2.77 1.43 -1.26 -3.80 118.68 119.80 1b3s s LEU 20 Ca 0.11 1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 1b3s s LEU 20 Cb -0.01 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1b3s s LEU 20 CO 0.01 -0.24 0.53 -2.65 0.23 0.00 0.00 176.35 174.23 1b3s n PRO 21 N -0.69 -0.01 0.32 1.29 -0.02 -1.26 -4.88 135.00 129.75 1b3s n PRO 21 Ca 0.02 0.05 0.20 0.00 -2.02 0.00 0.00 63.50 61.74 1b3s n PRO 21 Cb 0.53 -1.90 1.09 0.00 -0.02 0.00 0.00 33.50 33.20 1b3s n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b3s h ASP 22 N -1.03 0.00 -0.03 2.55 3.32 -1.95 -3.03 116.42 116.25 1b3s h ASP 22 Ca -0.44 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1b3s h ASP 22 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1b3s h ASP 22 CO 0.39 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.45 1b3s n ASN 23 N -3.38 1.25 -4.40 6.45 6.94 -1.26 -4.81 115.26 116.05 1b3s n ASN 23 Ca -0.03 -2.05 -0.33 0.00 -0.02 0.00 0.00 54.58 52.16 1b3s n ASN 23 Cb 0.09 -0.51 -0.14 0.00 -2.36 0.00 0.00 39.78 36.86 1b3s n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b3s s TYR 24 N -1.09 2.73 0.00 -2.53 2.02 -1.15 0.11 117.35 117.44 1b3s s TYR 24 Ca 0.03 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1b3s s TYR 24 Cb 0.02 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1b3s s TYR 24 CO 0.01 -0.07 -0.06 0.96 -1.57 0.00 0.00 175.55 174.82 1b3s s ILE 25 N -0.10 0.49 1.04 2.71 -4.36 0.53 -4.87 121.20 116.63 1b3s s ILE 25 Ca -0.02 -0.41 -0.14 0.00 -0.26 0.00 0.00 60.65 59.82 1b3s s ILE 25 Cb -0.14 -0.44 0.21 0.00 1.25 0.00 0.00 42.46 43.34 1b3s s ILE 25 CO 0.04 0.04 1.11 0.42 0.24 0.00 0.00 174.94 176.78 1b3s s THR 26 N -0.37 1.90 0.16 8.37 -4.23 -1.19 -1.73 115.64 118.56 1b3s s THR 26 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1b3s s THR 26 Cb -0.04 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.32 1b3s s THR 26 CO -0.00 0.00 1.71 0.11 -0.54 0.00 0.00 174.62 175.89 1b3s h LYS 27 N -2.03 0.83 0.29 3.99 1.57 -1.97 -1.68 116.57 117.57 1b3s h LYS 27 Ca -0.52 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.09 1b3s h LYS 27 Cb 1.32 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1b3s h LYS 27 CO 0.52 0.74 -0.17 0.77 -0.57 0.00 0.00 179.45 180.74 1b3s h SER 28 N 0.75 -0.42 -0.34 0.86 0.02 -1.99 -0.11 113.55 112.33 1b3s h SER 28 Ca 0.18 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1b3s h SER 28 Cb 0.23 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1b3s h SER 28 CO -0.01 -0.27 0.08 -0.33 -1.14 0.00 0.00 176.83 175.15 1b3s h GLU 29 N -0.43 0.20 -0.63 3.45 5.08 -1.92 0.36 114.58 120.68 1b3s h GLU 29 Ca -0.03 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1b3s h GLU 29 Cb 0.36 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1b3s h GLU 29 CO 0.04 0.13 0.25 0.00 -1.00 0.00 0.00 179.01 178.42 1b3s h ALA 30 N 1.24 0.82 -0.67 3.43 0.00 -1.14 0.33 119.26 123.28 1b3s h ALA 30 Ca 0.16 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1b3s h ALA 30 Cb 0.17 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1b3s h ALA 30 CO -0.20 -0.18 0.16 1.96 0.00 0.00 0.00 179.25 181.00 1b3s h GLN 31 N 0.43 1.06 0.00 0.00 4.20 -0.00 -0.47 115.11 120.33 1b3s h GLN 31 Ca 0.32 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1b3s h GLN 31 Cb 0.39 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1b3s h GLN 31 CO -0.31 0.94 -0.02 0.00 -0.67 0.00 0.00 178.83 178.77 1b3s h ALA 32 N 1.16 1.42 -0.07 3.87 0.00 0.18 0.13 119.26 125.94 1b3s h ALA 32 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1b3s h ALA 32 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1b3s h ALA 32 CO 0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1b3s n LEU 33 N -3.72 2.59 0.00 0.00 4.77 -0.79 -4.97 117.00 114.88 1b3s n LEU 33 Ca -0.03 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1b3s n LEU 33 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1b3s n LEU 33 CO 0.27 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1b3s n GLY 34 N 1.31 0.98 3.71 -0.72 0.00 0.44 -4.84 105.19 106.07 1b3s n GLY 34 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1b3s n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b3s s TRP 35 N -2.00 2.73 -0.30 1.61 -0.00 -0.22 -4.96 118.94 115.80 1b3s s TRP 35 Ca 0.00 0.38 0.02 0.00 -0.00 0.00 0.00 56.10 56.50 1b3s s TRP 35 Cb 0.00 -4.03 0.09 0.00 -0.00 0.00 0.00 33.47 29.52 1b3s s TRP 35 CO 0.00 -3.99 0.02 0.08 -0.00 0.00 0.00 176.95 173.06 1b3s s VAL 36 N 1.73 1.74 0.28 5.86 1.01 -1.26 -4.41 120.40 125.34 1b3s s VAL 36 Ca 0.74 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1b3s s VAL 36 Cb -0.45 -2.17 0.26 0.00 0.00 0.00 0.00 36.38 34.02 1b3s s VAL 36 CO 0.32 -0.43 1.74 0.00 0.00 0.00 0.00 175.10 176.73 1b3s h ALA 37 N 7.83 1.36 0.00 5.51 0.00 -1.99 0.13 119.26 132.09 1b3s h ALA 37 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b3s h ALA 37 Cb 1.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1b3s h ALA 37 CO 0.47 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 1b3s n SER 38 N -4.92 0.32 0.09 0.00 3.41 -1.26 -2.30 113.62 108.96 1b3s n SER 38 Ca 0.19 0.55 0.03 0.00 -0.26 0.00 0.00 58.87 59.38 1b3s n SER 38 Cb 0.52 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 1b3s n SER 38 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1b3s h LYS 39 N 0.00 0.00 -5.74 4.33 1.57 -1.20 -3.48 116.57 112.05 1b3s h LYS 39 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1b3s h LYS 39 Cb 0.47 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.94 1b3s h LYS 39 CO 0.00 0.31 -0.74 0.41 -0.57 0.00 0.00 179.45 178.86 1b3s n GLY 40 N 1.29 -0.42 1.33 3.86 0.00 -0.94 -4.92 105.19 105.39 1b3s n GLY 40 Ca -0.04 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1b3s n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b3s n ASN 41 N -3.09 4.52 -0.22 1.61 6.94 -1.26 -3.94 115.26 119.82 1b3s n ASN 41 Ca -0.19 -2.70 -0.01 0.00 -0.02 0.00 0.00 54.58 51.66 1b3s n ASN 41 Cb 0.63 -0.55 0.10 0.00 -2.36 0.00 0.00 39.78 37.60 1b3s n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b3s h LEU 42 N 3.09 0.42 -1.48 -4.53 5.85 -1.89 -1.46 115.31 115.30 1b3s h LEU 42 Ca 0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1b3s h LEU 42 Cb 1.50 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1b3s h LEU 42 CO 0.27 0.26 -0.21 0.00 -0.34 0.00 0.00 178.44 178.42 1b3s h ALA 43 N 1.38 1.57 0.29 1.25 0.00 -1.83 0.84 119.26 122.75 1b3s h ALA 43 Ca 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1b3s h ALA 43 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1b3s h ALA 43 CO -0.23 0.32 -0.14 -0.44 0.00 0.00 0.00 179.25 178.75 1b3s h ASP 44 N 0.07 -0.33 0.95 0.00 3.32 -1.64 -2.86 116.42 115.93 1b3s h ASP 44 Ca 0.01 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1b3s h ASP 44 Cb 0.41 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1b3s h ASP 44 CO 0.03 -0.03 -0.29 1.33 -1.72 0.00 0.00 179.24 178.55 1b3s n VAL 45 N -5.15 0.23 -2.94 -1.35 0.24 -0.92 -4.48 118.33 103.95 1b3s n VAL 45 Ca -0.10 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.34 61.92 1b3s n VAL 45 Cb 0.24 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1b3s n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b3s n ALA 46 N -1.66 0.27 -1.59 2.33 0.00 0.28 -4.90 120.51 115.24 1b3s n ALA 46 Ca 0.05 -2.27 -0.48 0.00 0.00 0.00 0.00 53.44 50.74 1b3s n ALA 46 Cb 0.39 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1b3s n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b3s n PRO 47 N 1.40 1.24 -1.25 0.00 -0.02 -1.08 -1.54 135.00 133.76 1b3s n PRO 47 Ca 0.14 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1b3s n PRO 47 Cb 0.60 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1b3s n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b3s n GLY 48 N 1.99 0.94 3.80 -1.23 0.00 -1.26 -4.98 105.19 104.46 1b3s n GLY 48 Ca 0.15 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1b3s n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3s s LYS 49 N -2.48 2.95 0.08 1.61 -0.14 -0.59 -4.75 119.74 116.43 1b3s s LYS 49 Ca 0.00 -0.77 0.06 0.00 -1.36 0.00 0.00 55.97 53.90 1b3s s LYS 49 Cb 0.00 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.41 1b3s s LYS 49 CO 0.00 0.52 -0.15 -1.12 -0.76 0.00 0.00 175.35 173.84 1b3s s SER 50 N -2.83 1.82 0.05 2.83 0.01 0.12 -4.81 113.70 110.90 1b3s s SER 50 Ca 0.31 -0.65 -0.31 0.00 1.31 0.00 0.00 55.95 56.62 1b3s s SER 50 Cb -0.11 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 1b3s s SER 50 CO 0.23 -0.07 1.37 -0.63 0.41 0.00 0.00 173.24 174.56 1b3s s ILE 51 N -1.35 3.60 -0.21 1.44 -1.09 -1.26 -0.35 121.20 121.99 1b3s s ILE 51 Ca 0.00 1.08 -0.34 0.00 -2.23 0.00 0.00 60.65 59.17 1b3s s ILE 51 Cb -0.09 -3.70 0.15 0.00 -1.58 0.00 0.00 42.46 37.24 1b3s s ILE 51 CO 0.03 0.04 1.23 -0.83 -1.23 0.00 0.00 174.94 174.18 1b3s s GLY 52 N 1.47 -0.21 0.00 6.18 0.00 -0.70 -0.79 107.32 113.26 1b3s s GLY 52 Ca 0.63 1.89 0.00 0.00 0.00 0.00 0.00 44.72 47.24 1b3s s GLY 52 CO 0.28 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.68 1b3s n GLY 53 N 0.10 2.36 3.79 0.20 0.00 -0.08 -3.16 105.19 108.40 1b3s n GLY 53 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1b3s n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b3s s ASP 54 N -1.61 5.92 0.23 1.61 1.01 -1.25 -4.79 116.67 117.78 1b3s s ASP 54 Ca 0.00 1.99 -0.32 0.00 0.71 0.00 0.00 52.55 54.93 1b3s s ASP 54 Cb 0.00 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.24 1b3s s ASP 54 CO 0.00 -1.08 1.53 -0.38 0.21 0.00 0.00 175.17 175.45 1b3s n ILE 55 N -1.43 0.60 -4.21 0.77 5.41 -1.26 -1.93 119.36 117.31 1b3s n ILE 55 Ca 0.10 -0.15 -0.34 0.00 1.00 0.00 0.00 62.75 63.36 1b3s n ILE 55 Cb 0.52 -1.65 -0.12 0.00 -0.71 0.00 0.00 39.64 37.68 1b3s n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1b3s s PHE 56 N 0.35 3.05 -2.41 1.39 5.36 0.96 -4.78 117.98 121.91 1b3s s PHE 56 Ca 0.71 -0.34 0.27 0.00 -0.96 0.00 0.00 56.93 56.61 1b3s s PHE 56 Cb -0.61 -2.03 0.87 0.00 -0.34 0.00 0.00 43.02 40.91 1b3s s PHE 56 CO 0.44 -0.11 1.64 0.43 -1.46 0.00 0.00 175.22 176.16 1b3s n SER 57 N 3.88 1.60 -3.92 6.13 7.64 -1.26 -4.02 113.62 123.67 1b3s n SER 57 Ca -0.17 -1.45 -0.27 0.00 1.01 0.00 0.00 58.87 57.99 1b3s n SER 57 Cb 0.52 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1b3s n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1b3s n ASN 58 N 0.16 -1.06 -0.11 6.43 5.15 -1.26 -4.82 115.26 119.75 1b3s n ASN 58 Ca 0.17 -1.02 0.02 0.00 -0.60 0.00 0.00 54.58 53.16 1b3s n ASN 58 Cb 0.38 -3.07 0.33 0.00 -0.53 0.00 0.00 39.78 36.90 1b3s n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b3s h ARG 59 N -1.87 0.77 -0.00 1.20 3.08 -2.01 -0.82 114.38 114.73 1b3s h ARG 59 Ca -0.64 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.36 1b3s h ARG 59 Cb 1.37 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1b3s h ARG 59 CO 0.60 0.51 -0.26 0.39 -1.07 0.00 0.00 179.97 180.14 1b3s n GLU 60 N -4.44 0.30 -2.84 0.04 -0.58 -1.26 -4.96 120.64 106.89 1b3s n GLU 60 Ca 0.06 -0.13 -0.17 0.00 -0.42 0.00 0.00 57.16 56.50 1b3s n GLU 60 Cb 0.05 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1b3s n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b3s n GLY 61 N 1.42 -0.21 0.10 0.62 0.00 -0.32 -4.93 105.19 101.88 1b3s n GLY 61 Ca 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1b3s n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b3s h LYS 62 N -1.08 0.00 -6.65 1.61 1.57 -1.93 -3.45 116.57 106.63 1b3s h LYS 62 Ca -0.40 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.88 1b3s h LYS 62 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1b3s h LYS 62 CO 0.42 0.53 0.03 -0.51 -0.57 0.00 0.00 179.45 179.35 1b3s s LEU 63 N -6.20 4.05 0.19 2.94 1.43 -1.26 -5.01 118.68 114.81 1b3s s LEU 63 Ca -0.01 1.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.89 1b3s s LEU 63 Cb 0.09 -3.92 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 1b3s s LEU 63 CO 0.80 -0.21 1.53 -2.16 0.23 0.00 0.00 176.35 176.55 1b3s s PRO 64 N -3.14 4.22 0.15 1.29 0.04 -1.26 -5.03 135.00 131.27 1b3s s PRO 64 Ca 0.51 2.35 0.03 0.00 0.04 0.00 0.00 61.00 63.93 1b3s s PRO 64 Cb -0.11 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1b3s s PRO 64 CO 0.22 -0.56 0.25 0.20 0.04 0.00 0.00 177.00 177.15 1b3s s GLY 65 N 0.92 1.73 -0.22 0.56 0.00 -1.26 -5.08 107.32 103.97 1b3s s GLY 65 Ca 0.67 -1.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.06 1b3s s GLY 65 CO 0.35 -1.06 0.76 1.25 0.00 0.00 0.00 173.10 174.40 1b3s s LYS 66 N -3.16 0.83 -0.23 2.90 2.20 -1.26 -5.06 119.74 115.96 1b3s s LYS 66 Ca 0.34 0.77 -0.41 0.00 -0.36 0.00 0.00 55.97 56.30 1b3s s LYS 66 Cb -0.11 0.40 -0.18 0.00 -1.51 0.00 0.00 37.83 36.44 1b3s s LYS 66 CO 0.27 -0.14 1.53 0.43 -0.36 0.00 0.00 175.35 177.08 1b3s n SER 67 N 2.20 1.57 0.00 1.43 7.64 -1.26 -0.25 113.62 124.95 1b3s n SER 67 Ca -0.15 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1b3s n SER 67 Cb 0.56 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1b3s n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b3s n GLY 68 N 3.45 1.16 3.63 0.23 0.00 -1.26 -5.04 105.19 107.36 1b3s n GLY 68 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1b3s n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b3s s ARG 69 N -0.41 4.04 0.28 1.61 3.52 0.65 -4.93 118.95 123.72 1b3s s ARG 69 Ca 0.00 -0.11 0.12 0.00 -0.13 0.00 0.00 55.73 55.61 1b3s s ARG 69 Cb 0.00 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 1b3s s ARG 69 CO 0.00 -0.12 -0.17 0.95 -0.81 0.00 0.00 175.30 175.15 1b3s s THR 70 N 1.58 2.59 0.25 4.11 -4.23 -1.26 -4.68 115.64 114.00 1b3s s THR 70 Ca 0.12 -2.34 0.11 0.00 -1.18 0.00 0.00 61.69 58.39 1b3s s THR 70 Cb -0.15 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1b3s s THR 70 CO 0.08 -0.39 -0.19 0.26 -0.54 0.00 0.00 174.62 173.85 1b3s s TRP 71 N -2.49 2.12 0.06 3.99 0.52 -1.26 -1.41 118.94 120.47 1b3s s TRP 71 Ca 0.30 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.03 1b3s s TRP 71 Cb -0.05 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 1b3s s TRP 71 CO 0.16 0.59 -0.05 1.03 0.02 0.00 0.00 176.95 178.70 1b3s s ARG 72 N -3.44 0.63 0.16 4.98 0.52 -0.24 -0.03 118.95 121.52 1b3s s ARG 72 Ca 0.27 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1b3s s ARG 72 Cb -0.04 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.38 1b3s s ARG 72 CO 0.12 -0.05 -0.09 -1.83 0.02 0.00 0.00 175.30 173.48 1b3s s GLU 73 N -3.21 1.10 -0.00 3.54 -1.05 -0.81 -1.51 118.70 116.76 1b3s s GLU 73 Ca 0.03 -1.48 -0.13 0.00 -0.15 0.00 0.00 54.97 53.24 1b3s s GLU 73 Cb 0.02 -0.61 0.02 0.00 -0.44 0.00 0.00 34.13 33.11 1b3s s GLU 73 CO -0.06 0.05 0.26 0.00 0.95 0.00 0.00 175.26 176.46 1b3s s ALA 74 N -3.35 -0.64 0.18 -0.84 0.00 -0.41 -0.90 121.76 115.80 1b3s s ALA 74 Ca 0.18 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 1b3s s ALA 74 Cb 0.03 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.19 1b3s s ALA 74 CO 0.02 -0.27 1.06 -0.51 0.00 0.00 0.00 175.76 176.06 1b3s s ASP 75 N -1.45 7.35 0.08 0.00 1.11 0.03 -0.96 116.67 122.84 1b3s s ASP 75 Ca -0.13 2.04 0.09 0.00 0.18 0.00 0.00 52.55 54.74 1b3s s ASP 75 Cb -0.05 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1b3s s ASP 75 CO 0.03 -0.15 -0.24 -0.63 1.18 0.00 0.00 175.17 175.36 1b3s s ILE 76 N -0.38 2.42 -1.45 0.77 -1.09 -0.16 -4.67 121.20 116.63 1b3s s ILE 76 Ca 0.48 -1.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1b3s s ILE 76 Cb -0.28 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1b3s s ILE 76 CO 0.34 0.24 0.15 0.59 -1.23 0.00 0.00 174.94 175.03 1b3s n ASN 77 N 1.33 -5.23 -4.79 3.58 3.02 0.04 -4.50 115.26 108.72 1b3s n ASN 77 Ca -0.17 -0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 53.94 1b3s n ASN 77 Cb 0.52 -4.24 -0.08 0.00 -0.61 0.00 0.00 39.78 35.38 1b3s n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b3s s TYR 78 N -2.94 3.41 0.10 3.10 5.04 -1.26 -4.98 117.35 119.82 1b3s s TYR 78 Ca 0.07 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1b3s s TYR 78 Cb -0.03 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.38 1b3s s TYR 78 CO 0.09 0.60 0.00 2.41 -1.34 0.00 0.00 175.55 177.31 1b3s n THR 79 N 2.16 0.55 -3.82 4.34 -1.04 -1.26 -4.91 114.28 110.29 1b3s n THR 79 Ca -0.19 0.18 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 1b3s n THR 79 Cb 0.54 -1.25 -0.01 0.00 -1.82 0.00 0.00 70.33 67.80 1b3s n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b3s s SER 80 N -5.44 -0.17 0.00 8.00 1.04 -1.26 -4.68 113.70 111.18 1b3s s SER 80 Ca 0.00 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1b3s s SER 80 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1b3s s SER 80 CO 0.00 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1b3s n GLY 81 N -0.49 -1.59 3.75 7.32 0.00 -1.25 -4.87 105.19 108.06 1b3s n GLY 81 Ca -0.05 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1b3s n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b3s s PHE 82 N 0.00 2.38 0.86 1.61 0.08 -1.26 -4.70 117.98 116.95 1b3s s PHE 82 Ca 0.00 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.48 1b3s s PHE 82 Cb 0.00 -3.42 0.11 0.00 -0.57 0.00 0.00 43.02 39.14 1b3s s PHE 82 CO 0.00 -2.16 1.10 1.03 -0.10 0.00 0.00 175.22 175.09 1b3s s ARG 83 N -3.54 1.52 0.00 0.44 0.52 -1.26 -5.03 118.95 111.59 1b3s s ARG 83 Ca 0.75 1.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.10 1b3s s ARG 83 Cb -0.28 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1b3s s ARG 83 CO 0.36 -2.15 0.00 0.27 0.02 0.00 0.00 175.30 173.80 1b3s n ASN 84 N -3.87 0.79 -1.36 0.23 0.23 -1.26 -5.06 115.26 104.96 1b3s n ASN 84 Ca 0.09 -0.31 0.09 0.00 -0.53 0.00 0.00 54.58 53.91 1b3s n ASN 84 Cb 0.53 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.55 1b3s n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1b3s n SER 85 N -0.68 4.46 -4.46 0.53 7.64 -1.26 -4.97 113.62 114.87 1b3s n SER 85 Ca 0.00 -2.54 -0.35 0.00 1.01 0.00 0.00 58.87 56.99 1b3s n SER 85 Cb 0.00 -0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 62.54 1b3s n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1b3s s ASP 86 N -1.10 4.98 0.06 6.43 1.01 -1.26 -2.58 116.67 124.21 1b3s s ASP 86 Ca 0.46 -0.19 0.02 0.00 0.71 0.00 0.00 52.55 53.55 1b3s s ASP 86 Cb 0.31 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 1b3s s ASP 86 CO 0.20 0.04 -0.07 -0.13 0.21 0.00 0.00 175.17 175.42 1b3s s ARG 87 N 1.16 0.61 -0.13 8.23 1.81 -0.91 -0.99 118.95 128.73 1b3s s ARG 87 Ca 0.03 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.07 1b3s s ARG 87 Cb -0.14 -0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.16 1b3s s ARG 87 CO 0.02 0.01 -0.14 -1.50 -0.68 0.00 0.00 175.30 173.01 1b3s s ILE 88 N -2.33 2.94 -0.16 1.52 2.07 -0.13 -1.59 121.20 123.51 1b3s s ILE 88 Ca -0.02 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 1b3s s ILE 88 Cb -0.04 -2.23 -0.01 0.00 0.13 0.00 0.00 42.46 40.31 1b3s s ILE 88 CO -0.02 0.52 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.67 1b3s s LEU 89 N 0.41 2.79 -0.03 8.50 2.01 0.18 -1.29 118.68 131.26 1b3s s LEU 89 Ca -0.11 -0.34 0.01 0.00 0.01 0.00 0.00 54.13 53.71 1b3s s LEU 89 Cb -0.16 -1.66 0.02 0.00 0.01 0.00 0.00 46.19 44.40 1b3s s LEU 89 CO 0.05 0.11 -0.04 -0.72 1.01 0.00 0.00 176.35 176.77 1b3s s TYR 90 N 0.69 0.58 0.52 0.29 1.13 -0.57 0.13 117.35 120.13 1b3s s TYR 90 Ca -0.05 -0.13 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 1b3s s TYR 90 Cb -0.15 -0.53 0.03 0.00 -1.10 0.00 0.00 41.96 40.21 1b3s s TYR 90 CO 0.02 -0.14 0.73 -1.54 -2.51 0.00 0.00 175.55 172.12 1b3s s SER 91 N 0.73 5.33 0.55 -0.18 1.04 -0.91 -1.08 113.70 119.19 1b3s s SER 91 Ca -0.09 -0.14 0.32 0.00 0.48 0.00 0.00 55.95 56.52 1b3s s SER 91 Cb -0.12 -0.76 1.60 0.00 0.10 0.00 0.00 66.02 66.84 1b3s s SER 91 CO -0.00 -1.08 2.10 0.77 0.98 0.00 0.00 173.24 176.01 1b3s h SER 92 N 0.19 0.00 -0.52 7.02 4.64 -1.60 -1.11 113.55 122.17 1b3s h SER 92 Ca -0.41 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.79 1b3s h SER 92 Cb 1.29 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.31 1b3s h SER 92 CO 0.50 0.08 0.11 -0.90 -0.87 0.00 0.00 176.83 175.75 1b3s n ASP 93 N -3.41 4.33 -2.81 4.97 5.75 -1.26 -4.98 116.55 119.14 1b3s n ASP 93 Ca -0.01 -3.21 -0.19 0.00 -0.01 0.00 0.00 54.79 51.36 1b3s n ASP 93 Cb 0.23 -0.66 0.05 0.00 -1.03 0.00 0.00 41.12 39.70 1b3s n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b3s n TRP 94 N -0.32 -2.04 -3.12 2.11 7.02 -0.42 -5.02 117.44 115.65 1b3s n TRP 94 Ca 0.33 0.65 -0.39 0.00 -1.02 0.00 0.00 57.50 57.07 1b3s n TRP 94 Cb 1.17 -4.14 -0.05 0.00 -2.42 0.00 0.00 31.31 25.87 1b3s n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b3s s LEU 95 N -5.93 4.36 -0.13 -0.99 1.43 -1.26 -4.83 118.68 111.33 1b3s s LEU 95 Ca 0.38 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 1b3s s LEU 95 Cb -0.17 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 1b3s s LEU 95 CO 0.47 -0.02 -0.17 -0.63 0.23 0.00 0.00 176.35 176.23 1b3s s ILE 96 N 0.37 2.60 0.38 -0.59 -1.09 -0.69 -2.13 121.20 120.05 1b3s s ILE 96 Ca 0.34 -0.81 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 1b3s s ILE 96 Cb -0.18 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 1b3s s ILE 96 CO 0.17 0.53 0.09 -0.31 -1.23 0.00 0.00 174.94 174.19 1b3s s TYR 97 N 0.55 1.88 0.20 3.97 1.51 0.12 -0.42 117.35 125.16 1b3s s TYR 97 Ca -0.11 -1.10 -0.11 0.00 -1.01 0.00 0.00 57.07 54.74 1b3s s TYR 97 Cb -0.16 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1b3s s TYR 97 CO 0.04 -0.11 0.36 -1.59 -1.11 0.00 0.00 175.55 173.15 1b3s s LYS 98 N -3.81 1.32 0.00 -0.62 -2.85 -0.65 0.49 119.74 113.63 1b3s s LYS 98 Ca 0.28 -1.20 -0.03 0.00 -1.00 0.00 0.00 55.97 54.01 1b3s s LYS 98 Cb 0.05 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1b3s s LYS 98 CO 0.14 -0.51 0.06 -0.08 0.10 0.00 0.00 175.35 175.05 1b3s s THR 99 N -3.99 0.07 0.00 3.79 -1.32 -0.62 -1.09 115.64 112.48 1b3s s THR 99 Ca 0.20 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1b3s s THR 99 Cb 0.02 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.72 1b3s s THR 99 CO 0.04 -0.33 0.74 0.35 -2.21 0.00 0.00 174.62 173.20 1b3s n THR 100 N 1.90 0.51 -2.53 5.08 -2.24 -1.26 -2.13 114.28 113.61 1b3s n THR 100 Ca -0.21 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 60.90 1b3s n THR 100 Cb 0.56 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 69.60 1b3s n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b3s n ASP 101 N -0.26 2.94 -3.73 3.42 5.68 -1.22 -4.71 116.55 118.67 1b3s n ASP 101 Ca 0.00 -2.96 -0.32 0.00 -0.50 0.00 0.00 54.79 51.02 1b3s n ASP 101 Cb 0.34 -0.46 0.03 0.00 -1.14 0.00 0.00 41.12 39.89 1b3s n ASP 101 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b3s n ALA 102 N -0.44 -2.60 -1.14 2.12 0.00 -1.06 -2.61 120.51 114.77 1b3s n ALA 102 Ca 0.22 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1b3s n ALA 102 Cb 0.81 -3.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 1b3s n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b3s n TYR 103 N -3.99 0.00 0.01 0.00 4.01 -1.26 -4.87 117.16 111.05 1b3s n TYR 103 Ca -0.12 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.45 1b3s n TYR 103 Cb 0.59 -2.14 -0.11 0.00 -0.31 0.00 0.00 39.34 37.37 1b3s n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b3s h GLN 104 N 0.08 0.46 -4.55 -0.72 4.20 -1.93 -3.46 115.11 109.20 1b3s h GLN 104 Ca -0.10 -0.48 -0.24 0.00 0.06 0.00 0.00 58.65 57.89 1b3s h GLN 104 Cb 0.97 0.13 -0.18 0.00 0.30 0.00 0.00 27.48 28.70 1b3s h GLN 104 CO 0.15 1.13 -0.71 0.95 -0.67 0.00 0.00 178.83 179.68 1b3s s THR 105 N -3.27 0.56 0.06 -0.54 -4.23 -1.26 -5.12 115.64 101.84 1b3s s THR 105 Ca -0.13 -1.45 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1b3s s THR 105 Cb 0.04 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.79 1b3s s THR 105 CO 0.84 -0.62 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.79 1b3s s PHE 106 N -2.41 1.29 -0.07 3.99 0.40 -1.26 -4.44 117.98 115.48 1b3s s PHE 106 Ca -0.01 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1b3s s PHE 106 Cb -0.03 -0.74 0.01 0.00 0.51 0.00 0.00 43.02 42.77 1b3s s PHE 106 CO -0.02 0.07 -0.15 0.99 0.70 0.00 0.00 175.22 176.81 1b3s s THR 107 N -1.11 1.33 -0.11 0.64 2.01 -0.25 -4.95 115.64 113.20 1b3s s THR 107 Ca 0.00 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1b3s s THR 107 Cb -0.09 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1b3s s THR 107 CO 0.02 0.40 1.35 -0.75 -0.69 0.00 0.00 174.62 174.94 1b3s s LYS 108 N 0.60 4.24 -0.00 4.92 2.20 -1.26 -1.64 119.74 128.81 1b3s s LYS 108 Ca -0.15 1.80 0.05 0.00 -0.36 0.00 0.00 55.97 57.30 1b3s s LYS 108 Cb -0.16 -3.76 -0.06 0.00 -1.51 0.00 0.00 37.83 32.34 1b3s s LYS 108 CO 0.05 -0.69 0.21 0.44 -0.36 0.00 0.00 175.35 175.00 1b3s n ILE 109 N 5.22 0.00 -1.28 5.43 -5.35 0.44 -4.98 119.36 118.84 1b3s n ILE 109 Ca 0.14 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1b3s n ILE 109 Cb 0.44 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 1b3s n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33