#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b27 s ILE 4 N 0.00 4.13 0.00 0.00 -1.09 -1.26 -4.74 121.20 118.24 1b27 s ILE 4 Ca 0.00 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 1b27 s ILE 4 Cb 0.00 -4.67 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1b27 s ILE 4 CO 0.00 -1.30 0.49 -0.46 -1.23 0.00 0.00 174.94 172.44 1b27 n ASN 5 N 8.15 0.00 -4.90 3.58 6.94 -1.26 -4.80 115.26 122.97 1b27 n ASN 5 Ca 0.06 -1.24 -0.21 0.00 -0.02 0.00 0.00 54.58 53.17 1b27 n ASN 5 Cb 0.48 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.83 1b27 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b27 s THR 6 N 0.00 3.91 0.13 5.53 -4.23 -1.26 0.14 115.64 119.87 1b27 s THR 6 Ca 0.00 -1.23 -0.23 0.00 -1.18 0.00 0.00 61.69 59.05 1b27 s THR 6 Cb 0.00 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.50 1b27 s THR 6 CO 0.00 -0.20 1.65 -0.26 -0.54 0.00 0.00 174.62 175.27 1b27 h PHE 7 N 1.16 -0.51 -0.37 3.99 0.04 -1.99 0.10 116.94 119.36 1b27 h PHE 7 Ca -0.46 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.18 1b27 h PHE 7 Cb 1.25 0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.64 1b27 h PHE 7 CO 0.50 -0.27 -0.40 0.22 -0.60 0.00 0.00 178.31 177.75 1b27 h ASP 8 N -0.25 0.98 0.28 2.17 3.58 -1.98 -0.92 116.42 120.28 1b27 h ASP 8 Ca 0.10 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 1b27 h ASP 8 Cb 0.40 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1b27 h ASP 8 CO -0.28 1.25 -0.31 1.23 -2.88 0.00 0.00 179.24 178.25 1b27 h GLY 9 N 0.79 -1.07 1.26 -0.78 0.00 -1.91 -0.74 103.07 100.62 1b27 h GLY 9 Ca 0.06 0.50 -0.11 0.00 0.00 0.00 0.00 47.33 47.77 1b27 h GLY 9 CO 0.10 -0.33 -0.18 -2.08 0.00 0.00 0.00 176.54 174.04 1b27 h VAL 10 N -0.60 1.27 -0.22 4.60 2.07 -0.95 -1.05 116.25 121.36 1b27 h VAL 10 Ca -0.03 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.20 1b27 h VAL 10 Cb 0.53 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1b27 h VAL 10 CO -0.06 0.44 0.07 0.00 0.02 0.00 0.00 177.57 178.05 1b27 h ALA 11 N 1.03 0.25 -0.20 1.67 0.00 -1.13 0.26 119.26 121.14 1b27 h ALA 11 Ca 0.11 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1b27 h ALA 11 Cb 0.71 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1b27 h ALA 11 CO 0.05 -0.34 -0.14 0.22 0.00 0.00 0.00 179.25 179.04 1b27 h ASP 12 N 0.18 -0.44 0.03 0.00 3.58 -0.98 -1.67 116.42 117.12 1b27 h ASP 12 Ca 0.10 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1b27 h ASP 12 Cb 0.06 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1b27 h ASP 12 CO -0.10 -0.17 -0.01 0.22 -2.88 0.00 0.00 179.24 176.29 1b27 h TYR 13 N -0.13 -0.04 -0.48 0.28 5.03 -0.51 -2.46 116.97 118.66 1b27 h TYR 13 Ca 0.12 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.52 1b27 h TYR 13 Cb 0.31 0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.51 1b27 h TYR 13 CO -0.29 0.18 -0.04 -0.07 -1.32 0.00 0.00 178.16 176.62 1b27 h LEU 14 N -0.26 -0.29 -1.34 2.82 3.38 -0.31 0.68 115.31 119.99 1b27 h LEU 14 Ca -0.00 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1b27 h LEU 14 Cb 0.24 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1b27 h LEU 14 CO 0.01 -0.10 -0.19 -0.61 0.09 0.00 0.00 178.44 177.63 1b27 h GLN 15 N 0.07 0.21 0.00 1.13 4.15 -1.36 0.77 115.11 120.08 1b27 h GLN 15 Ca 0.24 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1b27 h GLN 15 Cb 0.36 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1b27 h GLN 15 CO -0.44 0.40 -0.04 1.15 -1.93 0.00 0.00 178.83 177.97 1b27 h THR 16 N 0.19 1.01 0.00 2.39 2.02 -0.72 -3.39 112.91 114.40 1b27 h THR 16 Ca 0.04 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1b27 h THR 16 Cb 0.45 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1b27 h THR 16 CO 0.03 0.34 -0.96 -1.22 0.37 0.00 0.00 175.52 174.08 1b27 n TYR 17 N -4.67 0.31 -3.72 3.16 4.02 0.11 -4.99 117.16 111.38 1b27 n TYR 17 Ca -0.06 0.09 -0.27 0.00 -0.01 0.00 0.00 57.90 57.65 1b27 n TYR 17 Cb 0.29 -0.47 0.03 0.00 -0.02 0.00 0.00 39.34 39.16 1b27 n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1b27 n HIS 18 N -1.99 -1.89 -3.63 -0.72 8.25 0.26 -4.96 115.22 110.55 1b27 n HIS 18 Ca 0.02 0.63 -0.03 0.00 -0.26 0.00 0.00 57.72 58.08 1b27 n HIS 18 Cb 0.44 -3.76 -0.01 0.00 1.12 0.00 0.00 29.99 27.77 1b27 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b27 s LYS 19 N -6.00 0.72 0.50 -0.41 -2.85 -1.25 -5.08 119.74 105.37 1b27 s LYS 19 Ca 0.26 -0.35 -0.06 0.00 -1.00 0.00 0.00 55.97 54.82 1b27 s LYS 19 Cb -0.09 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 1b27 s LYS 19 CO 0.85 -0.33 0.82 -0.51 0.10 0.00 0.00 175.35 176.28 1b27 s LEU 20 N -2.71 3.57 1.01 2.77 1.43 -1.26 -3.95 118.68 119.54 1b27 s LEU 20 Ca 0.11 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 1b27 s LEU 20 Cb 0.01 -3.97 0.20 0.00 0.03 0.00 0.00 46.19 42.46 1b27 s LEU 20 CO -0.03 -0.62 1.08 -2.16 0.23 0.00 0.00 176.35 174.85 1b27 s PRO 21 N -4.80 0.27 0.00 1.29 0.04 -1.26 -4.90 135.00 125.63 1b27 s PRO 21 Ca 0.48 1.01 0.22 0.00 0.04 0.00 0.00 61.00 62.76 1b27 s PRO 21 Cb -0.10 -1.68 1.32 0.00 0.04 0.00 0.00 34.50 34.07 1b27 s PRO 21 CO 0.46 -2.97 1.74 -0.25 0.04 0.00 0.00 177.00 176.02 1b27 n ASP 22 N -4.41 0.00 -0.67 6.66 8.00 -1.26 -2.86 116.55 122.00 1b27 n ASP 22 Ca 0.07 -0.94 0.08 0.00 0.71 0.00 0.00 54.79 54.70 1b27 n ASP 22 Cb 0.54 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.87 1b27 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1b27 n ASN 23 N -0.92 1.97 -4.81 -2.24 6.94 -1.26 -4.89 115.26 110.05 1b27 n ASN 23 Ca 0.17 -1.91 -0.33 0.00 -0.02 0.00 0.00 54.58 52.48 1b27 n ASN 23 Cb 0.08 -0.21 -0.07 0.00 -2.36 0.00 0.00 39.78 37.22 1b27 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b27 s TYR 24 N -1.58 3.35 -0.04 -2.53 2.02 -1.14 -0.96 117.35 116.48 1b27 s TYR 24 Ca 0.28 0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 57.20 1b27 s TYR 24 Cb 0.15 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.95 1b27 s TYR 24 CO 0.20 0.58 0.10 0.96 -1.57 0.00 0.00 175.55 175.82 1b27 s ILE 25 N -1.20 -0.00 1.03 2.71 -4.36 -0.90 -4.90 121.20 113.59 1b27 s ILE 25 Ca 0.23 0.02 -0.12 0.00 -0.26 0.00 0.00 60.65 60.51 1b27 s ILE 25 Cb -0.12 -0.15 0.21 0.00 1.25 0.00 0.00 42.46 43.65 1b27 s ILE 25 CO 0.14 0.01 1.07 0.42 0.24 0.00 0.00 174.94 176.82 1b27 s THR 26 N 0.15 2.13 0.26 8.37 -4.23 -1.12 -1.51 115.64 119.69 1b27 s THR 26 Ca -0.01 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1b27 s THR 26 Cb -0.02 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.54 1b27 s THR 26 CO -0.00 -0.06 1.75 0.11 -0.54 0.00 0.00 174.62 175.88 1b27 h LYS 27 N -2.07 0.73 -0.11 3.99 1.57 -1.97 -0.60 116.57 118.11 1b27 h LYS 27 Ca -0.56 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 57.89 1b27 h LYS 27 Cb 1.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1b27 h LYS 27 CO 0.55 0.78 -0.48 1.03 -0.57 0.00 0.00 179.45 180.76 1b27 h SER 28 N 0.68 0.30 -0.38 0.86 0.87 -1.99 -0.83 113.55 113.06 1b27 h SER 28 Ca 0.13 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 1b27 h SER 28 Cb 0.49 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1b27 h SER 28 CO 0.03 0.73 -0.16 -0.08 -0.53 0.00 0.00 176.83 176.82 1b27 h GLU 29 N 0.22 0.78 -0.17 2.24 4.81 -1.64 -2.84 114.58 117.98 1b27 h GLU 29 Ca 0.01 -0.33 -0.19 0.00 -0.13 0.00 0.00 59.36 58.71 1b27 h GLU 29 Cb 0.93 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1b27 h GLU 29 CO 0.08 0.95 -0.67 0.00 -0.73 0.00 0.00 179.01 178.64 1b27 h ALA 30 N 0.81 0.48 -0.09 2.92 0.00 -0.94 -3.12 119.26 119.32 1b27 h ALA 30 Ca 0.09 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1b27 h ALA 30 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1b27 h ALA 30 CO 0.05 0.70 -0.08 1.96 0.00 0.00 0.00 179.25 181.89 1b27 h GLN 31 N 0.49 0.13 0.00 0.00 4.20 -1.16 -0.03 115.11 118.74 1b27 h GLN 31 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1b27 h GLN 31 Cb 1.27 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1b27 h GLN 31 CO 0.13 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.51 1b27 n ALA 32 N -2.51 1.99 1.02 3.87 0.00 -1.07 -1.88 120.51 121.94 1b27 n ALA 32 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1b27 n ALA 32 Cb 0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 1b27 n ALA 32 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1b27 n LEU 33 N -1.82 1.52 0.00 0.00 -0.00 -0.17 -4.97 117.00 111.56 1b27 n LEU 33 Ca 0.05 -0.60 0.00 0.00 -0.00 0.00 0.00 56.01 55.46 1b27 n LEU 33 Cb 0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1b27 n LEU 33 CO 0.22 0.31 0.00 0.61 -0.00 0.00 0.00 177.39 178.53 1b27 n GLY 34 N 1.45 0.68 3.67 1.47 0.00 -0.79 -4.83 105.19 106.84 1b27 n GLY 34 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 1b27 n GLY 34 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1b27 n TRP 35 N -1.66 2.32 -3.90 1.61 -0.00 -0.34 -4.94 117.44 110.54 1b27 n TRP 35 Ca 0.00 0.20 -0.30 0.00 -0.00 0.00 0.00 57.50 57.40 1b27 n TRP 35 Cb 0.00 -2.58 -0.15 0.00 -0.00 0.00 0.00 31.31 28.59 1b27 n TRP 35 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1b27 s VAL 36 N 1.46 1.84 0.18 5.87 0.11 -1.26 -4.32 120.40 124.28 1b27 s VAL 36 Ca 0.81 -2.24 -0.13 0.00 -2.93 0.00 0.00 61.98 57.49 1b27 s VAL 36 Cb -0.66 -2.35 0.19 0.00 -1.53 0.00 0.00 36.38 32.02 1b27 s VAL 36 CO 0.40 -0.68 1.19 0.00 -3.33 0.00 0.00 175.10 172.68 1b27 n ALA 37 N 4.19 -0.09 1.53 1.54 0.00 -1.26 0.42 120.51 126.83 1b27 n ALA 37 Ca 0.03 0.77 0.12 0.00 0.00 0.00 0.00 53.44 54.35 1b27 n ALA 37 Cb 0.40 -0.34 0.70 0.00 0.00 0.00 0.00 19.45 20.21 1b27 n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b27 n SER 38 N -5.13 0.00 -0.01 0.00 3.41 -1.26 -1.66 113.62 108.96 1b27 n SER 38 Ca 0.08 -0.79 0.11 0.00 -0.26 0.00 0.00 58.87 58.01 1b27 n SER 38 Cb 0.31 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.10 1b27 n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b27 n LYS 39 N -0.98 0.56 -3.84 4.33 4.01 0.17 -5.00 118.16 117.40 1b27 n LYS 39 Ca 0.18 -0.16 -0.26 0.00 -0.51 0.00 0.00 58.31 57.55 1b27 n LYS 39 Cb 0.08 -1.51 0.02 0.00 -0.51 0.00 0.00 35.03 33.12 1b27 n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1b27 n GLY 40 N 1.31 -0.39 1.53 0.72 0.00 -0.67 -4.88 105.19 102.81 1b27 n GLY 40 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 1b27 n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b27 n ASN 41 N -2.93 3.91 -0.07 1.61 6.94 -1.26 -3.80 115.26 119.66 1b27 n ASN 41 Ca -0.12 -3.35 -0.08 0.00 -0.02 0.00 0.00 54.58 51.02 1b27 n ASN 41 Cb 0.60 -0.68 -0.01 0.00 -2.36 0.00 0.00 39.78 37.33 1b27 n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b27 h LEU 42 N 1.88 0.08 -0.52 -4.53 5.85 -1.90 -2.12 115.31 114.05 1b27 h LEU 42 Ca 0.22 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1b27 h LEU 42 Cb 1.99 0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1b27 h LEU 42 CO 0.56 0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.74 1b27 n ALA 43 N -2.29 1.68 -0.06 1.25 0.00 -1.26 -0.43 120.51 119.39 1b27 n ALA 43 Ca -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1b27 n ALA 43 Cb 0.10 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.07 1b27 n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b27 h ASP 44 N 0.00 0.01 1.49 0.00 3.32 -1.75 -2.95 116.42 116.54 1b27 h ASP 44 Ca 0.00 -0.93 -0.07 0.00 0.02 0.00 0.00 57.03 56.05 1b27 h ASP 44 Cb 0.35 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1b27 h ASP 44 CO 0.00 0.94 -0.31 -0.37 -1.72 0.00 0.00 179.24 177.78 1b27 h VAL 45 N -0.91 0.57 -1.40 -1.35 -1.51 -1.17 -3.39 116.25 107.09 1b27 h VAL 45 Ca -0.00 -1.66 -0.36 0.00 -1.23 0.00 0.00 66.70 63.44 1b27 h VAL 45 Cb 0.95 2.17 -0.26 0.00 -2.13 0.00 0.00 31.29 32.02 1b27 h VAL 45 CO 0.00 0.31 -0.73 0.00 -1.23 0.00 0.00 177.57 175.92 1b27 n ALA 46 N -2.19 0.29 -1.71 5.19 0.00 0.42 -4.95 120.51 117.56 1b27 n ALA 46 Ca 0.02 -2.08 -0.43 0.00 0.00 0.00 0.00 53.44 50.96 1b27 n ALA 46 Cb 0.61 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1b27 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b27 n PRO 47 N 2.47 2.26 -0.51 0.00 -0.02 -1.11 -1.52 135.00 136.57 1b27 n PRO 47 Ca 0.21 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1b27 n PRO 47 Cb 0.54 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1b27 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b27 n GLY 48 N 1.12 1.56 3.90 -1.23 0.00 -1.26 -5.01 105.19 104.27 1b27 n GLY 48 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1b27 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b27 s LYS 49 N -0.10 3.64 0.04 1.61 -0.14 -0.57 -4.41 119.74 119.81 1b27 s LYS 49 Ca 0.00 0.08 0.02 0.00 -1.36 0.00 0.00 55.97 54.71 1b27 s LYS 49 Cb 0.00 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 1b27 s LYS 49 CO 0.00 0.11 -0.07 -1.12 -0.76 0.00 0.00 175.35 173.51 1b27 s SER 50 N -3.36 0.82 0.12 2.83 0.01 -0.13 -4.78 113.70 109.20 1b27 s SER 50 Ca 0.45 -0.58 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 1b27 s SER 50 Cb -0.10 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.09 1b27 s SER 50 CO 0.32 -0.24 1.47 -0.63 0.41 0.00 0.00 173.24 174.58 1b27 s ILE 51 N -1.58 3.07 -0.15 1.44 -1.09 -1.26 -2.11 121.20 119.53 1b27 s ILE 51 Ca -0.09 0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 58.77 1b27 s ILE 51 Cb -0.09 -3.47 0.13 0.00 -1.58 0.00 0.00 42.46 37.45 1b27 s ILE 51 CO -0.00 0.05 1.05 -0.83 -1.23 0.00 0.00 174.94 173.97 1b27 s GLY 52 N 1.26 -0.27 0.00 6.18 0.00 -0.57 -0.68 107.32 113.23 1b27 s GLY 52 Ca 0.67 1.84 0.00 0.00 0.00 0.00 0.00 44.72 47.23 1b27 s GLY 52 CO 0.30 0.82 0.00 0.61 0.00 0.00 0.00 173.10 174.83 1b27 n GLY 53 N 0.37 0.24 3.78 0.20 0.00 -0.37 -2.81 105.19 106.60 1b27 n GLY 53 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1b27 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b27 s ASP 54 N -2.01 5.00 0.18 1.61 1.01 -1.21 -4.72 116.67 116.54 1b27 s ASP 54 Ca 0.00 1.84 -0.32 0.00 0.71 0.00 0.00 52.55 54.78 1b27 s ASP 54 Cb 0.00 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.30 1b27 s ASP 54 CO 0.00 -1.70 1.61 -0.63 0.21 0.00 0.00 175.17 174.66 1b27 s ILE 55 N -2.71 2.42 -0.26 0.77 1.01 -1.26 -1.65 121.20 119.52 1b27 s ILE 55 Ca 0.63 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 61.52 1b27 s ILE 55 Cb -0.17 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1b27 s ILE 55 CO 0.49 0.02 0.05 0.12 0.00 0.00 0.00 174.94 175.63 1b27 s PHE 56 N 1.09 3.08 -2.13 3.97 5.36 0.11 -4.75 117.98 124.72 1b27 s PHE 56 Ca 0.71 -0.74 0.18 0.00 -0.96 0.00 0.00 56.93 56.13 1b27 s PHE 56 Cb -0.46 -2.22 0.85 0.00 -0.34 0.00 0.00 43.02 40.85 1b27 s PHE 56 CO 0.32 -0.48 1.58 0.43 -1.46 0.00 0.00 175.22 175.61 1b27 n SER 57 N 4.88 0.86 -4.12 6.13 7.64 -1.26 -4.21 113.62 123.53 1b27 n SER 57 Ca -0.16 -1.61 -0.28 0.00 1.01 0.00 0.00 58.87 57.83 1b27 n SER 57 Cb 0.50 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1b27 n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1b27 n ASN 58 N -0.20 0.19 -0.02 6.43 5.15 -1.26 -4.79 115.26 120.76 1b27 n ASN 58 Ca 0.14 -1.13 0.22 0.00 -0.60 0.00 0.00 54.58 53.22 1b27 n ASN 58 Cb 0.19 -2.41 0.72 0.00 -0.53 0.00 0.00 39.78 37.75 1b27 n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b27 h ARG 59 N -1.80 0.00 -0.08 1.20 3.08 -2.01 -0.04 114.38 114.72 1b27 h ARG 59 Ca -0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1b27 h ARG 59 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1b27 h ARG 59 CO 0.67 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.96 1b27 n GLU 60 N -4.15 2.30 -1.16 0.04 -0.58 -1.26 -4.95 120.64 110.89 1b27 n GLU 60 Ca 0.11 -1.90 -0.06 0.00 -0.42 0.00 0.00 57.16 54.89 1b27 n GLU 60 Cb 0.70 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 30.08 1b27 n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b27 n GLY 61 N 1.36 0.81 0.22 0.62 0.00 -0.03 -4.90 105.19 103.26 1b27 n GLY 61 Ca 0.15 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1b27 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b27 h LYS 62 N 0.01 0.73 -6.98 1.61 1.57 -1.93 -3.43 116.57 108.15 1b27 h LYS 62 Ca -0.11 -0.43 -0.45 0.00 -1.87 0.00 0.00 60.65 57.79 1b27 h LYS 62 Cb 0.36 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1b27 h LYS 62 CO 0.17 1.05 0.32 -0.51 -0.57 0.00 0.00 179.45 179.90 1b27 s LEU 63 N -8.86 4.05 0.19 2.94 1.43 -1.26 -5.00 118.68 112.17 1b27 s LEU 63 Ca -0.12 1.69 -0.31 0.00 -1.03 0.00 0.00 54.13 54.36 1b27 s LEU 63 Cb 0.09 -4.36 -0.09 0.00 0.03 0.00 0.00 46.19 41.85 1b27 s LEU 63 CO 0.85 -0.27 1.45 -2.16 0.23 0.00 0.00 176.35 176.45 1b27 s PRO 64 N -2.87 4.28 0.12 1.29 0.04 -1.26 -5.02 135.00 131.59 1b27 s PRO 64 Ca 0.58 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.87 1b27 s PRO 64 Cb -0.12 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1b27 s PRO 64 CO 0.16 -0.46 0.27 0.20 0.04 0.00 0.00 177.00 177.22 1b27 s GLY 65 N 0.74 1.90 -0.07 0.56 0.00 -1.26 -5.08 107.32 104.11 1b27 s GLY 65 Ca 0.63 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 44.27 1b27 s GLY 65 CO 0.36 -0.92 0.37 0.54 0.00 0.00 0.00 173.10 173.45 1b27 s LYS 66 N -2.98 0.61 -0.09 2.90 3.01 -1.26 -5.06 119.74 116.88 1b27 s LYS 66 Ca 0.35 0.12 -0.37 0.00 -1.01 0.00 0.00 55.97 55.07 1b27 s LYS 66 Cb -0.12 0.28 -0.14 0.00 -1.01 0.00 0.00 37.83 36.84 1b27 s LYS 66 CO 0.28 -0.14 1.69 -1.13 0.51 0.00 0.00 175.35 176.56 1b27 n SER 67 N 1.87 2.68 0.00 2.83 3.41 -1.26 -0.96 113.62 122.19 1b27 n SER 67 Ca -0.18 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1b27 n SER 67 Cb 0.57 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1b27 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b27 n GLY 68 N 3.85 3.02 3.68 5.00 0.00 -1.26 -5.01 105.19 114.47 1b27 n GLY 68 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1b27 n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b27 s ARG 69 N -0.39 4.34 0.23 1.61 3.52 -0.14 -4.96 118.95 123.16 1b27 s ARG 69 Ca 0.00 1.67 0.11 0.00 -0.13 0.00 0.00 55.73 57.38 1b27 s ARG 69 Cb 0.00 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1b27 s ARG 69 CO 0.00 -0.47 -0.14 0.95 -0.81 0.00 0.00 175.30 174.82 1b27 s THR 70 N 2.34 2.84 0.12 4.11 -4.23 -1.26 -4.66 115.64 114.90 1b27 s THR 70 Ca 0.56 -2.03 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1b27 s THR 70 Cb -0.24 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1b27 s THR 70 CO 0.21 -0.26 -0.23 0.26 -0.54 0.00 0.00 174.62 174.07 1b27 s TRP 71 N -2.08 2.42 0.19 3.99 0.52 -1.26 -0.61 118.94 122.11 1b27 s TRP 71 Ca 0.27 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.09 1b27 s TRP 71 Cb -0.07 -1.30 -0.05 0.00 -1.15 0.00 0.00 33.47 30.91 1b27 s TRP 71 CO 0.15 0.36 -0.02 1.03 0.02 0.00 0.00 176.95 178.49 1b27 s ARG 72 N -2.08 1.19 0.05 4.98 0.52 0.52 -0.72 118.95 123.41 1b27 s ARG 72 Ca 0.16 -1.58 -0.02 0.00 -0.52 0.00 0.00 55.73 53.78 1b27 s ARG 72 Cb -0.10 -0.45 -0.03 0.00 0.52 0.00 0.00 34.95 34.88 1b27 s ARG 72 CO 0.08 -0.09 -0.01 -1.83 0.02 0.00 0.00 175.30 173.47 1b27 s GLU 73 N -3.87 0.59 -0.01 3.54 -1.05 -0.66 -1.77 118.70 115.47 1b27 s GLU 73 Ca 0.25 -1.12 -0.13 0.00 -0.15 0.00 0.00 54.97 53.82 1b27 s GLU 73 Cb 0.05 0.21 0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1b27 s GLU 73 CO 0.05 -0.12 0.26 0.00 0.95 0.00 0.00 175.26 176.41 1b27 s ALA 74 N -3.60 -0.66 0.46 -0.84 0.00 -0.23 -1.24 121.76 115.64 1b27 s ALA 74 Ca 0.04 0.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 1b27 s ALA 74 Cb 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.17 1b27 s ALA 74 CO -0.09 -0.25 1.04 -0.51 0.00 0.00 0.00 175.76 175.95 1b27 s ASP 75 N -1.34 6.49 0.08 0.00 1.11 0.14 -0.07 116.67 123.09 1b27 s ASP 75 Ca -0.14 1.96 0.09 0.00 0.18 0.00 0.00 52.55 54.64 1b27 s ASP 75 Cb -0.06 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1b27 s ASP 75 CO 0.04 -0.68 -0.24 -0.63 1.18 0.00 0.00 175.17 174.84 1b27 s ILE 76 N -1.89 2.42 -1.60 0.77 -1.09 0.09 -4.73 121.20 115.17 1b27 s ILE 76 Ca 0.64 -1.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1b27 s ILE 76 Cb -0.18 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 1b27 s ILE 76 CO 0.22 0.23 0.00 0.59 -1.23 0.00 0.00 174.94 174.75 1b27 n ASN 77 N 1.30 -5.30 -4.76 3.58 3.02 0.12 -4.55 115.26 108.66 1b27 n ASN 77 Ca -0.17 0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.03 1b27 n ASN 77 Cb 0.52 -4.37 -0.06 0.00 -0.61 0.00 0.00 39.78 35.26 1b27 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b27 s TYR 78 N -2.89 3.58 -0.00 3.10 5.04 -1.26 -4.95 117.35 119.96 1b27 s TYR 78 Ca 0.00 0.89 -0.00 0.00 -2.44 0.00 0.00 57.07 55.52 1b27 s TYR 78 Cb 0.00 -2.44 -0.00 0.00 0.35 0.00 0.00 41.96 39.87 1b27 s TYR 78 CO 0.00 0.34 -0.00 0.25 -1.34 0.00 0.00 175.55 174.80 1b27 n THR 79 N 3.02 0.02 -3.54 4.34 -2.24 -1.26 -4.92 114.28 109.71 1b27 n THR 79 Ca -0.10 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1b27 n THR 79 Cb 0.52 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 1b27 n THR 79 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1b27 s SER 80 N -4.58 -0.35 0.00 3.42 0.01 -1.26 -4.79 113.70 106.15 1b27 s SER 80 Ca -0.00 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1b27 s SER 80 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1b27 s SER 80 CO 0.01 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1b27 n GLY 81 N 0.13 0.22 3.78 3.44 0.00 -1.25 -4.91 105.19 106.59 1b27 n GLY 81 Ca -0.09 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1b27 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b27 s PHE 82 N 0.00 2.71 0.50 1.61 0.08 -1.26 -4.61 117.98 117.01 1b27 s PHE 82 Ca 0.00 1.54 -0.20 0.00 0.12 0.00 0.00 56.93 58.39 1b27 s PHE 82 Cb 0.00 -3.11 -0.08 0.00 -0.57 0.00 0.00 43.02 39.26 1b27 s PHE 82 CO 0.00 -1.57 1.04 1.03 -0.10 0.00 0.00 175.22 175.62 1b27 s ARG 83 N -4.25 3.74 0.00 0.44 0.52 -1.26 -4.97 118.95 113.17 1b27 s ARG 83 Ca 0.65 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.21 1b27 s ARG 83 Cb -0.19 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1b27 s ARG 83 CO 0.43 -0.48 0.00 0.27 0.02 0.00 0.00 175.30 175.54 1b27 n ASN 84 N -1.08 0.00 -1.07 0.23 0.23 -1.26 -5.02 115.26 107.29 1b27 n ASN 84 Ca 0.09 -0.37 0.10 0.00 -0.53 0.00 0.00 54.58 53.87 1b27 n ASN 84 Cb 0.52 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.45 1b27 n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b27 n SER 85 N -1.11 3.41 -4.65 0.53 3.41 -1.26 -4.96 113.62 108.99 1b27 n SER 85 Ca 0.00 -1.96 -0.35 0.00 -0.26 0.00 0.00 58.87 56.31 1b27 n SER 85 Cb 0.00 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1b27 n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b27 s ASP 86 N -1.22 5.52 -0.00 4.04 1.01 -1.26 -1.48 116.67 123.28 1b27 s ASP 86 Ca 0.37 0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.72 1b27 s ASP 86 Cb 0.21 -1.85 -0.01 0.00 1.01 0.00 0.00 42.92 42.29 1b27 s ASP 86 CO 0.28 0.24 0.03 -0.13 0.21 0.00 0.00 175.17 175.81 1b27 s ARG 87 N -0.05 0.22 -0.09 8.23 1.81 -0.83 -0.73 118.95 127.50 1b27 s ARG 87 Ca 0.06 -0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 53.80 1b27 s ARG 87 Cb -0.12 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.44 1b27 s ARG 87 CO 0.01 -0.04 -0.06 -1.50 -0.68 0.00 0.00 175.30 173.03 1b27 s ILE 88 N -0.76 3.76 -0.09 1.52 2.07 0.90 -1.60 121.20 127.01 1b27 s ILE 88 Ca -0.08 -0.44 0.04 0.00 -1.41 0.00 0.00 60.65 58.75 1b27 s ILE 88 Cb -0.05 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 39.97 1b27 s ILE 88 CO -0.00 0.57 -0.21 -0.76 -1.91 0.00 0.00 174.94 172.63 1b27 s LEU 89 N -0.47 1.96 -0.01 8.50 2.01 0.21 -1.07 118.68 129.82 1b27 s LEU 89 Ca 0.07 -0.48 0.01 0.00 0.01 0.00 0.00 54.13 53.74 1b27 s LEU 89 Cb -0.12 -1.24 0.01 0.00 0.01 0.00 0.00 46.19 44.85 1b27 s LEU 89 CO 0.02 0.13 -0.03 -0.72 1.01 0.00 0.00 176.35 176.76 1b27 s TYR 90 N 0.38 0.35 0.61 0.29 1.13 -0.73 0.11 117.35 119.48 1b27 s TYR 90 Ca -0.16 -0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 55.43 1b27 s TYR 90 Cb -0.17 -0.28 0.05 0.00 -1.10 0.00 0.00 41.96 40.45 1b27 s TYR 90 CO 0.07 -0.04 0.86 -1.54 -2.51 0.00 0.00 175.55 172.38 1b27 s SER 91 N 0.23 5.10 0.42 -0.18 1.04 -0.05 -0.35 113.70 119.90 1b27 s SER 91 Ca -0.02 0.13 0.28 0.00 0.48 0.00 0.00 55.95 56.82 1b27 s SER 91 Cb -0.05 -0.92 1.01 0.00 0.10 0.00 0.00 66.02 66.16 1b27 s SER 91 CO -0.00 -1.31 1.82 0.77 0.98 0.00 0.00 173.24 175.49 1b27 h SER 92 N -0.16 0.00 -0.45 7.02 4.64 -1.19 -1.80 113.55 121.60 1b27 h SER 92 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 1b27 h SER 92 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1b27 h SER 92 CO 0.54 0.00 0.02 -0.90 -0.87 0.00 0.00 176.83 175.63 1b27 n ASP 93 N -2.78 4.78 -2.88 4.97 5.75 -1.26 -4.98 116.55 120.14 1b27 n ASP 93 Ca 0.02 -3.03 -0.20 0.00 -0.01 0.00 0.00 54.79 51.57 1b27 n ASP 93 Cb 0.34 -0.63 0.05 0.00 -1.03 0.00 0.00 41.12 39.85 1b27 n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b27 n TRP 94 N 0.01 -2.03 -2.59 2.11 7.02 -0.68 -5.01 117.44 116.26 1b27 n TRP 94 Ca 0.27 0.62 -0.41 0.00 -1.02 0.00 0.00 57.50 56.95 1b27 n TRP 94 Cb 1.09 -4.28 -0.04 0.00 -2.42 0.00 0.00 31.31 25.66 1b27 n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b27 s LEU 95 N -6.18 4.49 -0.06 -0.99 1.43 -1.26 -4.84 118.68 111.26 1b27 s LEU 95 Ca 0.36 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.47 1b27 s LEU 95 Cb -0.16 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.47 1b27 s LEU 95 CO 0.44 -0.17 -0.20 -0.63 0.23 0.00 0.00 176.35 176.02 1b27 s ILE 96 N -0.07 1.66 0.20 -0.59 1.01 -1.26 -0.87 121.20 121.28 1b27 s ILE 96 Ca 0.49 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1b27 s ILE 96 Cb -0.27 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1b27 s ILE 96 CO 0.32 0.47 0.04 -0.31 0.00 0.00 0.00 174.94 175.47 1b27 s TYR 97 N 0.20 1.29 0.12 3.97 1.51 0.29 -0.75 117.35 123.98 1b27 s TYR 97 Ca -0.10 -1.10 0.01 0.00 -1.01 0.00 0.00 57.07 54.87 1b27 s TYR 97 Cb -0.14 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1b27 s TYR 97 CO 0.05 -0.29 -0.01 -1.59 -1.11 0.00 0.00 175.55 172.60 1b27 s LYS 98 N -3.97 0.89 -0.01 -0.62 -2.85 0.17 0.66 119.74 114.01 1b27 s LYS 98 Ca 0.29 -1.39 -0.03 0.00 -1.00 0.00 0.00 55.97 53.84 1b27 s LYS 98 Cb 0.07 -0.05 -0.00 0.00 -2.06 0.00 0.00 37.83 35.78 1b27 s LYS 98 CO 0.07 -0.12 0.06 -0.08 0.10 0.00 0.00 175.35 175.39 1b27 s THR 99 N -3.78 0.05 -0.23 3.79 -1.32 -0.63 -1.87 115.64 111.65 1b27 s THR 99 Ca 0.17 -0.39 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 1b27 s THR 99 Cb 0.06 -0.22 0.05 0.00 -1.51 0.00 0.00 72.50 70.88 1b27 s THR 99 CO -0.02 -0.21 0.89 0.35 -2.21 0.00 0.00 174.62 173.42 1b27 n THR 100 N 2.32 0.66 -2.50 5.08 -2.24 -1.26 -1.96 114.28 114.37 1b27 n THR 100 Ca -0.18 -0.83 -0.17 0.00 -2.27 0.00 0.00 64.05 60.60 1b27 n THR 100 Cb 0.57 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 69.51 1b27 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b27 n ASP 101 N -0.14 3.33 -3.71 3.42 5.68 -1.23 -4.63 116.55 119.27 1b27 n ASP 101 Ca 0.02 -3.18 -0.28 0.00 -0.50 0.00 0.00 54.79 50.84 1b27 n ASP 101 Cb 0.21 -0.46 0.02 0.00 -1.14 0.00 0.00 41.12 39.75 1b27 n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1b27 n HIS 102 N -0.41 -1.99 -1.53 2.11 -0.00 -0.55 -2.42 115.22 110.42 1b27 n HIS 102 Ca 0.26 0.58 -0.18 0.00 -0.00 0.00 0.00 57.72 58.39 1b27 n HIS 102 Cb 0.78 -3.20 -0.07 0.00 -0.00 0.00 0.00 29.99 27.50 1b27 n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1b27 n TYR 103 N -3.56 -0.18 -0.03 1.57 4.01 -1.26 -4.88 117.16 112.83 1b27 n TYR 103 Ca -0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.46 1b27 n TYR 103 Cb 0.60 -3.12 -0.11 0.00 -0.31 0.00 0.00 39.34 36.41 1b27 n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b27 h GLN 104 N 0.00 -0.02 -5.15 -0.72 4.20 -1.89 -3.46 115.11 108.07 1b27 h GLN 104 Ca -0.36 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 57.95 1b27 h GLN 104 Cb 1.16 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.71 1b27 h GLN 104 CO 0.53 0.67 -0.77 0.95 -0.67 0.00 0.00 178.83 179.53 1b27 s THR 105 N -3.32 0.98 -0.03 -0.54 -4.23 -1.26 -5.12 115.64 102.12 1b27 s THR 105 Ca -0.17 -1.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 1b27 s THR 105 Cb -0.00 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 1b27 s THR 105 CO 0.66 -0.16 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.05 1b27 s PHE 106 N -1.10 1.52 0.01 3.99 0.08 -1.26 -4.38 117.98 116.83 1b27 s PHE 106 Ca -0.02 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 56.73 1b27 s PHE 106 Cb -0.09 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.33 1b27 s PHE 106 CO 0.01 -0.09 -0.19 0.95 -0.10 0.00 0.00 175.22 175.80 1b27 s THR 107 N -0.16 1.52 0.27 0.64 -4.23 -0.78 -4.94 115.64 107.96 1b27 s THR 107 Ca 0.01 -0.95 -0.29 0.00 -1.18 0.00 0.00 61.69 59.28 1b27 s THR 107 Cb -0.09 -1.29 -0.10 0.00 1.34 0.00 0.00 72.50 72.37 1b27 s THR 107 CO 0.01 0.32 1.29 -0.75 -0.54 0.00 0.00 174.62 174.95 1b27 s LYS 108 N -0.74 4.40 -0.06 3.99 2.20 -1.26 -0.65 119.74 127.61 1b27 s LYS 108 Ca 0.07 2.11 0.03 0.00 -0.36 0.00 0.00 55.97 57.82 1b27 s LYS 108 Cb -0.08 -3.14 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 1b27 s LYS 108 CO 0.00 -0.18 -0.01 -0.89 -0.36 0.00 0.00 175.35 173.91 1b27 n ILE 109 N 1.69 0.38 -1.19 5.43 5.41 0.07 -4.90 119.36 126.25 1b27 n ILE 109 Ca 0.03 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1b27 n ILE 109 Cb 0.42 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 1b27 n ILE 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09