#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b20 s VAL 3 N 0.00 3.44 -0.10 1.69 1.01 -1.26 -2.66 120.40 122.52 1b20 s VAL 3 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1b20 s VAL 3 Cb 0.00 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.94 1b20 s VAL 3 CO 0.00 0.51 0.45 -0.63 0.00 0.00 0.00 175.10 175.42 1b20 s ILE 4 N 0.39 0.02 -0.02 2.22 1.09 -1.26 -5.03 121.20 118.62 1b20 s ILE 4 Ca -0.07 -0.17 0.16 0.00 -1.10 0.00 0.00 60.65 59.47 1b20 s ILE 4 Cb -0.15 -0.69 0.28 0.00 -1.06 0.00 0.00 42.46 40.84 1b20 s ILE 4 CO 0.04 -0.09 1.12 -0.46 -0.10 0.00 0.00 174.94 175.45 1b20 n ASN 5 N 1.97 0.75 -4.98 3.58 6.94 -1.26 -4.78 115.26 117.48 1b20 n ASN 5 Ca -0.17 -2.14 -0.20 0.00 -0.02 0.00 0.00 54.58 52.05 1b20 n ASN 5 Cb 0.57 -0.28 -0.01 0.00 -2.36 0.00 0.00 39.78 37.69 1b20 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b20 s THR 6 N -0.26 4.74 0.12 5.53 -4.23 -1.26 -1.38 115.64 118.89 1b20 s THR 6 Ca 0.23 -0.98 -0.24 0.00 -1.18 0.00 0.00 61.69 59.52 1b20 s THR 6 Cb 0.26 -3.66 -0.06 0.00 1.34 0.00 0.00 72.50 70.37 1b20 s THR 6 CO -0.10 -0.26 1.66 -0.26 -0.54 0.00 0.00 174.62 175.12 1b20 h PHE 7 N 1.04 -0.47 -0.38 3.99 0.04 -1.99 -0.93 116.94 118.24 1b20 h PHE 7 Ca -0.49 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.15 1b20 h PHE 7 Cb 1.24 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 39.59 1b20 h PHE 7 CO 0.44 -0.26 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.12 1b20 h ASP 8 N -0.29 0.90 -0.04 2.17 3.32 -1.99 -1.26 116.42 119.24 1b20 h ASP 8 Ca 0.06 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1b20 h ASP 8 Cb 0.36 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1b20 h ASP 8 CO -0.17 1.15 0.02 1.23 -1.72 0.00 0.00 179.24 179.74 1b20 h GLY 9 N 0.88 0.06 1.42 2.75 0.00 -1.94 -1.26 103.07 104.98 1b20 h GLY 9 Ca 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 1b20 h GLY 9 CO 0.08 0.03 -0.30 -2.08 0.00 0.00 0.00 176.54 174.27 1b20 h VAL 10 N -0.09 1.28 -0.29 4.60 2.07 -1.19 -1.73 116.25 120.90 1b20 h VAL 10 Ca 0.01 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1b20 h VAL 10 Cb 0.15 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1b20 h VAL 10 CO -0.00 0.46 0.18 0.00 0.02 0.00 0.00 177.57 178.23 1b20 h ALA 11 N 1.10 0.37 -0.56 1.67 0.00 -1.17 0.11 119.26 120.79 1b20 h ALA 11 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1b20 h ALA 11 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1b20 h ALA 11 CO 0.07 -0.13 0.20 -0.44 0.00 0.00 0.00 179.25 178.94 1b20 h ASP 12 N 0.37 0.79 -0.24 0.00 3.32 -1.18 -2.31 116.42 117.18 1b20 h ASP 12 Ca 0.10 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1b20 h ASP 12 Cb 0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1b20 h ASP 12 CO -0.02 0.77 0.13 0.22 -1.72 0.00 0.00 179.24 178.62 1b20 h TYR 13 N 0.77 0.34 -0.21 4.55 5.03 -0.89 -2.35 116.97 124.20 1b20 h TYR 13 Ca 0.18 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.53 1b20 h TYR 13 Cb 0.25 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.38 1b20 h TYR 13 CO 0.01 0.29 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.01 1b20 h LEU 14 N 0.28 -0.24 -1.40 2.82 3.38 -0.88 -0.31 115.31 118.96 1b20 h LEU 14 Ca 0.09 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1b20 h LEU 14 Cb 0.07 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1b20 h LEU 14 CO -0.01 -0.09 -0.30 1.56 0.09 0.00 0.00 178.44 179.69 1b20 h GLN 15 N -0.03 0.00 0.00 1.13 4.20 -1.18 -0.69 115.11 118.54 1b20 h GLN 15 Ca 0.11 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1b20 h GLN 15 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1b20 h GLN 15 CO -0.23 0.30 -0.46 1.15 -0.67 0.00 0.00 178.83 178.92 1b20 h THR 16 N 0.00 1.44 -0.01 -0.54 2.02 -1.30 -3.41 112.91 111.11 1b20 h THR 16 Ca -0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1b20 h THR 16 Cb 0.56 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1b20 h THR 16 CO 0.04 0.49 -0.37 -1.22 0.37 0.00 0.00 175.52 174.83 1b20 n TYR 17 N -4.55 0.00 -3.10 3.16 4.01 -0.14 -5.02 117.16 111.53 1b20 n TYR 17 Ca -0.18 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.34 1b20 n TYR 17 Cb 0.54 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.62 1b20 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b20 n HIS 18 N -0.17 -2.08 -3.64 -0.72 8.25 -0.27 -4.97 115.22 111.62 1b20 n HIS 18 Ca 0.07 0.59 -0.06 0.00 -0.26 0.00 0.00 57.72 58.06 1b20 n HIS 18 Cb 0.35 -4.55 -0.02 0.00 1.12 0.00 0.00 29.99 26.89 1b20 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b20 s LYS 19 N -5.78 1.14 0.56 -0.41 -2.85 -1.26 -5.07 119.74 106.06 1b20 s LYS 19 Ca 0.34 -0.55 -0.10 0.00 -1.00 0.00 0.00 55.97 54.67 1b20 s LYS 19 Cb -0.15 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 1b20 s LYS 19 CO 0.42 -0.51 0.94 -0.51 0.10 0.00 0.00 175.35 175.80 1b20 s LEU 20 N -2.76 3.40 0.99 2.77 1.43 -1.26 -4.23 118.68 119.02 1b20 s LEU 20 Ca 0.08 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 1b20 s LEU 20 Cb -0.02 -4.28 0.19 0.00 0.03 0.00 0.00 46.19 42.11 1b20 s LEU 20 CO -0.03 -0.74 1.09 -2.84 0.23 0.00 0.00 176.35 174.06 1b20 s PRO 21 N -4.91 0.45 0.15 1.29 0.02 -1.26 -4.91 135.00 125.82 1b20 s PRO 21 Ca 0.53 1.10 0.17 0.00 0.02 0.00 0.00 61.00 62.82 1b20 s PRO 21 Cb -0.11 -1.69 0.76 0.00 0.02 0.00 0.00 34.50 33.48 1b20 s PRO 21 CO 0.49 -2.88 1.54 -3.47 -0.33 0.00 0.00 177.00 172.34 1b20 n ASP 22 N -4.36 0.34 0.00 2.53 2.03 -1.09 -2.86 116.55 113.15 1b20 n ASP 22 Ca 0.07 0.60 0.12 0.00 0.52 0.00 0.00 54.79 56.11 1b20 n ASP 22 Cb 0.54 -0.67 0.69 0.00 -0.72 0.00 0.00 41.12 40.96 1b20 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1b20 n ASN 23 N -1.90 0.00 -4.84 1.67 6.94 -1.26 -4.84 115.26 111.04 1b20 n ASN 23 Ca 0.02 -0.53 -0.36 0.00 -0.02 0.00 0.00 54.58 53.69 1b20 n ASN 23 Cb 0.16 -0.10 -0.07 0.00 -2.36 0.00 0.00 39.78 37.41 1b20 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b20 s TYR 24 N -2.20 3.53 0.03 -2.53 2.02 -1.14 -1.07 117.35 115.99 1b20 s TYR 24 Ca 0.32 0.46 0.03 0.00 -0.37 0.00 0.00 57.07 57.52 1b20 s TYR 24 Cb 0.17 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1b20 s TYR 24 CO 0.32 0.64 -0.10 0.96 -1.57 0.00 0.00 175.55 175.79 1b20 s ILE 25 N -0.77 0.80 0.92 2.71 -4.36 -0.55 -4.86 121.20 115.09 1b20 s ILE 25 Ca 0.13 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.56 1b20 s ILE 25 Cb -0.12 -0.75 0.14 0.00 1.25 0.00 0.00 42.46 42.98 1b20 s ILE 25 CO 0.03 -0.07 1.12 0.42 0.24 0.00 0.00 174.94 176.67 1b20 s THR 26 N -0.83 2.19 0.19 8.37 -4.23 -1.15 -0.15 115.64 120.04 1b20 s THR 26 Ca -0.01 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.45 1b20 s THR 26 Cb -0.07 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.16 1b20 s THR 26 CO 0.01 -0.08 1.77 0.11 -0.54 0.00 0.00 174.62 175.89 1b20 h LYS 27 N -1.57 0.47 -0.39 3.99 1.57 -1.96 0.11 116.57 118.79 1b20 h LYS 27 Ca -0.51 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1b20 h LYS 27 Cb 1.32 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1b20 h LYS 27 CO 0.60 0.31 0.23 1.03 -0.57 0.00 0.00 179.45 181.05 1b20 h SER 28 N 0.49 0.47 -0.69 0.86 0.87 -1.99 -0.09 113.55 113.47 1b20 h SER 28 Ca 0.27 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1b20 h SER 28 Cb 0.24 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1b20 h SER 28 CO -0.22 0.40 0.42 -0.33 -0.53 0.00 0.00 176.83 176.57 1b20 h GLU 29 N 0.50 0.94 -0.43 2.24 5.08 -1.83 -1.18 114.58 119.90 1b20 h GLU 29 Ca 0.14 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1b20 h GLU 29 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1b20 h GLU 29 CO -0.02 0.66 -0.08 0.00 -1.00 0.00 0.00 179.01 178.57 1b20 h ALA 30 N 1.22 0.59 -0.75 3.43 0.00 -0.48 -2.12 119.26 121.15 1b20 h ALA 30 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b20 h ALA 30 Cb -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1b20 h ALA 30 CO -0.05 0.45 0.48 1.96 0.00 0.00 0.00 179.25 182.10 1b20 h GLN 31 N 0.64 0.99 -0.03 0.00 4.20 -0.69 -0.21 115.11 120.01 1b20 h GLN 31 Ca 0.11 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1b20 h GLN 31 Cb 0.61 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1b20 h GLN 31 CO 0.04 0.67 -0.29 0.00 -0.67 0.00 0.00 178.83 178.58 1b20 h ALA 32 N 1.51 1.47 -0.00 3.87 0.00 -0.92 -1.03 119.26 124.17 1b20 h ALA 32 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b20 h ALA 32 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1b20 h ALA 32 CO -0.06 0.39 -0.04 1.28 0.00 0.00 0.00 179.25 180.82 1b20 n LEU 33 N -4.18 0.14 0.00 0.00 4.77 -0.42 -4.92 117.00 112.40 1b20 n LEU 33 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1b20 n LEU 33 Cb 0.35 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1b20 n LEU 33 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1b20 n GLY 34 N 1.30 1.12 3.71 -0.72 0.00 -0.39 -4.88 105.19 105.32 1b20 n GLY 34 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1b20 n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b20 s TRP 35 N -2.00 3.02 -0.37 1.61 -0.00 -0.23 -4.93 118.94 116.05 1b20 s TRP 35 Ca 0.00 0.77 0.03 0.00 -0.00 0.00 0.00 56.10 56.90 1b20 s TRP 35 Cb 0.00 -3.77 0.11 0.00 -0.00 0.00 0.00 33.47 29.81 1b20 s TRP 35 CO 0.00 -2.81 0.10 0.08 -0.00 0.00 0.00 176.95 174.32 1b20 s VAL 36 N 1.57 2.01 0.28 5.86 1.01 -1.26 -4.44 120.40 125.42 1b20 s VAL 36 Ca 0.67 -2.32 0.01 0.00 0.00 0.00 0.00 61.98 60.34 1b20 s VAL 36 Cb -0.38 -2.48 0.26 0.00 0.00 0.00 0.00 36.38 33.79 1b20 s VAL 36 CO 0.30 -0.66 1.78 0.00 0.00 0.00 0.00 175.10 176.53 1b20 h ALA 37 N 7.49 1.43 0.00 5.51 0.00 -1.99 -0.31 119.26 131.39 1b20 h ALA 37 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b20 h ALA 37 Cb 1.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1b20 h ALA 37 CO 0.53 -0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.55 1b20 h SER 38 N 0.75 0.00 0.15 0.00 0.02 -2.03 -1.41 113.55 111.03 1b20 h SER 38 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1b20 h SER 38 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1b20 h SER 38 CO -0.34 0.00 -0.24 0.29 -1.14 0.00 0.00 176.83 175.40 1b20 n LYS 39 N -3.00 1.09 -3.82 3.45 5.02 -0.14 -4.98 118.16 115.78 1b20 n LYS 39 Ca -0.01 -0.71 -0.27 0.00 -2.02 0.00 0.00 58.31 55.30 1b20 n LYS 39 Cb 0.17 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1b20 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b20 n GLY 40 N 1.32 -0.43 1.29 0.72 0.00 -0.53 -4.91 105.19 102.65 1b20 n GLY 40 Ca 0.13 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.35 1b20 n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b20 n ASN 41 N -2.93 3.96 -0.16 1.61 6.94 -1.25 -4.00 115.26 119.44 1b20 n ASN 41 Ca -0.08 -3.22 -0.05 0.00 -0.02 0.00 0.00 54.58 51.21 1b20 n ASN 41 Cb 0.58 -0.62 0.04 0.00 -2.36 0.00 0.00 39.78 37.42 1b20 n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b20 h LEU 42 N 1.98 0.36 -0.03 -4.53 5.85 -1.87 -0.44 115.31 116.63 1b20 h LEU 42 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1b20 h LEU 42 Cb 1.75 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1b20 h LEU 42 CO 0.41 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1b20 n ALA 43 N -2.32 1.95 0.10 1.25 0.00 -1.26 0.31 120.51 120.54 1b20 n ALA 43 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1b20 n ALA 43 Cb 0.12 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 1b20 n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b20 h ASP 44 N 0.00 0.45 0.30 0.00 3.32 -1.44 -3.08 116.42 115.96 1b20 h ASP 44 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1b20 h ASP 44 Cb 0.37 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1b20 h ASP 44 CO 0.00 1.38 -1.26 1.33 -1.72 0.00 0.00 179.24 178.98 1b20 n VAL 45 N -3.53 0.13 -2.96 -1.35 0.24 -0.83 -4.68 118.33 105.35 1b20 n VAL 45 Ca -0.10 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.77 1b20 n VAL 45 Cb 1.03 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 33.64 1b20 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b20 n ALA 46 N -1.90 0.25 -1.65 2.33 0.00 0.15 -4.93 120.51 114.75 1b20 n ALA 46 Ca 0.01 -2.21 -0.48 0.00 0.00 0.00 0.00 53.44 50.76 1b20 n ALA 46 Cb 0.46 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 1b20 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b20 n PRO 47 N 1.82 1.88 0.00 0.00 -0.02 -1.16 -1.41 135.00 136.11 1b20 n PRO 47 Ca 0.16 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1b20 n PRO 47 Cb 0.57 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1b20 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b20 n GLY 48 N 3.36 2.19 3.96 -1.23 0.00 -1.26 -5.03 105.19 107.18 1b20 n GLY 48 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1b20 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b20 s LYS 49 N -0.46 3.31 0.04 1.61 -0.14 -0.50 -4.86 119.74 118.73 1b20 s LYS 49 Ca 0.00 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 1b20 s LYS 49 Cb 0.00 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1b20 s LYS 49 CO 0.00 0.13 -0.04 -1.12 -0.76 0.00 0.00 175.35 173.56 1b20 s SER 50 N -4.09 0.53 0.13 2.83 0.01 -0.24 -4.84 113.70 108.04 1b20 s SER 50 Ca 0.41 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 1b20 s SER 50 Cb -0.09 0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.19 1b20 s SER 50 CO 0.33 -0.41 1.27 -0.63 0.41 0.00 0.00 173.24 174.20 1b20 s ILE 51 N -2.60 3.58 -0.21 1.44 -1.09 -1.26 -1.48 121.20 119.57 1b20 s ILE 51 Ca -0.03 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.30 1b20 s ILE 51 Cb -0.02 -3.77 0.16 0.00 -1.58 0.00 0.00 42.46 37.25 1b20 s ILE 51 CO -0.04 0.14 1.15 -0.83 -1.23 0.00 0.00 174.94 174.13 1b20 s GLY 52 N 0.68 -0.11 0.00 6.18 0.00 0.79 -0.64 107.32 114.22 1b20 s GLY 52 Ca 0.58 2.37 0.00 0.00 0.00 0.00 0.00 44.72 47.67 1b20 s GLY 52 CO 0.33 1.06 0.00 0.61 0.00 0.00 0.00 173.10 175.10 1b20 n GLY 53 N 0.63 0.71 3.84 0.20 0.00 0.49 -2.95 105.19 108.10 1b20 n GLY 53 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1b20 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b20 s ASP 54 N -1.74 6.75 0.38 1.61 1.01 -1.23 -4.78 116.67 118.68 1b20 s ASP 54 Ca 0.00 1.48 -0.27 0.00 0.71 0.00 0.00 52.55 54.47 1b20 s ASP 54 Cb 0.00 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 1b20 s ASP 54 CO 0.00 -0.40 1.36 -0.63 0.21 0.00 0.00 175.17 175.71 1b20 s ILE 55 N -2.29 2.46 -0.20 0.77 -1.09 -1.26 -1.25 121.20 118.34 1b20 s ILE 55 Ca 0.58 0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 59.44 1b20 s ILE 55 Cb -0.10 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 37.52 1b20 s ILE 55 CO 0.22 0.09 -0.13 0.12 -1.23 0.00 0.00 174.94 174.01 1b20 s PHE 56 N -1.18 2.88 0.31 3.97 5.36 0.06 -4.83 117.98 124.54 1b20 s PHE 56 Ca 0.53 -1.42 0.12 0.00 -0.96 0.00 0.00 56.93 55.20 1b20 s PHE 56 Cb -0.41 -1.99 0.54 0.00 -0.34 0.00 0.00 43.02 40.81 1b20 s PHE 56 CO 0.55 -0.72 1.71 0.77 -1.46 0.00 0.00 175.22 176.07 1b20 h SER 57 N 8.00 0.00 -5.05 6.13 0.02 -1.95 -3.38 113.55 117.32 1b20 h SER 57 Ca -0.43 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.20 1b20 h SER 57 Cb 1.14 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.80 1b20 h SER 57 CO 0.62 0.50 -0.58 -3.20 -1.14 0.00 0.00 176.83 173.03 1b20 n ASN 58 N -3.90 -5.20 0.21 3.07 5.15 -1.26 -4.89 115.26 108.44 1b20 n ASN 58 Ca -0.01 -0.46 0.07 0.00 -0.60 0.00 0.00 54.58 53.57 1b20 n ASN 58 Cb 0.52 -4.30 0.47 0.00 -0.53 0.00 0.00 39.78 35.94 1b20 n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b20 h ARG 59 N -2.18 0.00 -0.00 1.20 3.08 -2.00 -2.01 114.38 112.47 1b20 h ARG 59 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1b20 h ARG 59 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1b20 h ARG 59 CO 0.46 0.29 -0.08 0.39 -1.07 0.00 0.00 179.97 179.96 1b20 n GLU 60 N -3.78 0.67 -1.31 0.04 1.02 -1.26 -4.94 120.64 111.08 1b20 n GLU 60 Ca -0.01 -0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 56.83 1b20 n GLU 60 Cb 0.38 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 1b20 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b20 n GLY 61 N 1.26 1.20 0.20 0.62 0.00 -0.76 -4.91 105.19 102.81 1b20 n GLY 61 Ca 0.15 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1b20 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b20 h LYS 62 N 0.03 0.00 -6.14 1.61 1.57 -1.92 -3.43 116.57 108.29 1b20 h LYS 62 Ca -0.22 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.98 1b20 h LYS 62 Cb 0.74 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.99 1b20 h LYS 62 CO 0.32 0.27 -0.54 -0.51 -0.57 0.00 0.00 179.45 178.42 1b20 s LEU 63 N -6.67 3.98 0.25 2.94 1.43 -1.26 -4.92 118.68 114.43 1b20 s LEU 63 Ca 0.02 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1b20 s LEU 63 Cb 0.09 -2.59 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 1b20 s LEU 63 CO 0.66 0.09 1.43 -2.16 0.23 0.00 0.00 176.35 176.60 1b20 s PRO 64 N -2.98 4.27 0.40 1.29 0.04 -1.26 -5.01 135.00 131.75 1b20 s PRO 64 Ca 0.32 2.29 0.08 0.00 0.04 0.00 0.00 61.00 63.72 1b20 s PRO 64 Cb -0.11 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1b20 s PRO 64 CO 0.25 -0.41 0.36 0.20 0.04 0.00 0.00 177.00 177.44 1b20 s GLY 65 N 0.35 2.08 -0.22 0.56 0.00 -1.26 -5.07 107.32 103.76 1b20 s GLY 65 Ca 0.59 -1.85 -0.27 0.00 0.00 0.00 0.00 44.72 43.19 1b20 s GLY 65 CO 0.43 -1.68 0.85 1.25 0.00 0.00 0.00 173.10 173.95 1b20 s LYS 66 N -4.10 0.73 0.09 2.90 2.20 -1.26 -5.07 119.74 115.23 1b20 s LYS 66 Ca 0.47 0.63 -0.34 0.00 -0.36 0.00 0.00 55.97 56.37 1b20 s LYS 66 Cb -0.03 0.35 -0.13 0.00 -1.51 0.00 0.00 37.83 36.51 1b20 s LYS 66 CO 0.27 -0.14 1.67 0.43 -0.36 0.00 0.00 175.35 177.23 1b20 n SER 67 N 1.98 3.22 0.00 1.43 7.64 -1.26 -0.90 113.62 125.73 1b20 n SER 67 Ca -0.14 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1b20 n SER 67 Cb 0.56 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1b20 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b20 n GLY 68 N 3.71 0.46 3.88 0.23 0.00 -1.26 -5.00 105.19 107.20 1b20 n GLY 68 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1b20 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b20 s SER 69 N -2.32 6.33 0.13 1.61 0.01 -0.07 -5.04 113.70 114.34 1b20 s SER 69 Ca 0.00 0.40 0.10 0.00 1.31 0.00 0.00 55.95 57.76 1b20 s SER 69 Cb 0.00 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 1b20 s SER 69 CO 0.00 0.35 -0.23 0.42 0.41 0.00 0.00 173.24 174.18 1b20 s THR 70 N -1.15 1.98 0.01 1.44 -4.23 -1.26 -4.69 115.64 107.75 1b20 s THR 70 Ca 0.20 -1.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1b20 s THR 70 Cb -0.12 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1b20 s THR 70 CO 0.10 -0.04 -0.01 0.26 -0.54 0.00 0.00 174.62 174.39 1b20 s TRP 71 N -1.28 3.03 0.16 3.99 0.52 -1.26 -1.17 118.94 122.93 1b20 s TRP 71 Ca 0.12 0.04 0.04 0.00 0.02 0.00 0.00 56.10 56.32 1b20 s TRP 71 Cb -0.09 -1.64 -0.05 0.00 -1.15 0.00 0.00 33.47 30.54 1b20 s TRP 71 CO 0.06 0.45 -0.08 1.03 0.02 0.00 0.00 176.95 178.43 1b20 s ARG 72 N -1.64 1.12 0.24 4.98 0.52 0.01 -0.76 118.95 123.42 1b20 s ARG 72 Ca 0.20 -1.50 0.05 0.00 -0.52 0.00 0.00 55.73 53.96 1b20 s ARG 72 Cb -0.11 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.69 1b20 s ARG 72 CO 0.11 0.03 -0.03 -1.83 0.02 0.00 0.00 175.30 173.60 1b20 s GLU 73 N -3.78 1.38 0.00 3.54 -1.05 -0.38 -1.20 118.70 117.22 1b20 s GLU 73 Ca 0.19 -1.69 -0.12 0.00 -0.15 0.00 0.00 54.97 53.21 1b20 s GLU 73 Cb 0.03 -0.81 0.01 0.00 -0.44 0.00 0.00 34.13 32.93 1b20 s GLU 73 CO 0.02 -0.03 0.24 0.00 0.95 0.00 0.00 175.26 176.44 1b20 s ALA 74 N -3.27 -0.57 0.32 -0.84 0.00 -0.24 -0.38 121.76 116.79 1b20 s ALA 74 Ca 0.27 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 1b20 s ALA 74 Cb 0.05 0.14 -0.10 0.00 0.00 0.00 0.00 23.12 23.21 1b20 s ALA 74 CO 0.09 -0.27 0.85 -0.51 0.00 0.00 0.00 175.76 175.92 1b20 s ASP 75 N -1.52 7.07 0.01 0.00 1.11 0.19 -0.57 116.67 122.96 1b20 s ASP 75 Ca -0.12 1.60 0.06 0.00 0.18 0.00 0.00 52.55 54.26 1b20 s ASP 75 Cb -0.05 -2.49 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 1b20 s ASP 75 CO 0.02 -0.14 -0.18 -0.63 1.18 0.00 0.00 175.17 175.42 1b20 s ILE 76 N -1.79 1.41 -0.91 0.77 -1.09 -0.67 -4.71 121.20 114.20 1b20 s ILE 76 Ca 0.52 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1b20 s ILE 76 Cb -0.14 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.53 1b20 s ILE 76 CO 0.19 0.27 0.00 0.59 -1.23 0.00 0.00 174.94 174.76 1b20 n ASN 77 N 2.30 -4.42 -4.78 3.58 3.02 -0.48 -4.52 115.26 109.97 1b20 n ASN 77 Ca -0.16 0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 1b20 n ASN 77 Cb 0.54 -2.68 -0.06 0.00 -0.61 0.00 0.00 39.78 36.98 1b20 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b20 s TYR 78 N -2.19 3.80 0.03 3.10 5.04 -1.26 -4.96 117.35 120.91 1b20 s TYR 78 Ca 0.00 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1b20 s TYR 78 Cb 0.00 -2.66 0.00 0.00 0.35 0.00 0.00 41.96 39.65 1b20 s TYR 78 CO 0.00 0.46 0.00 2.41 -1.34 0.00 0.00 175.55 177.08 1b20 n THR 79 N 2.07 0.26 -3.59 4.34 -1.04 -1.26 -4.95 114.28 110.11 1b20 n THR 79 Ca -0.07 0.09 -0.07 0.00 -2.04 0.00 0.00 64.05 61.96 1b20 n THR 79 Cb 0.50 -1.40 -0.02 0.00 -1.82 0.00 0.00 70.33 67.60 1b20 n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b20 s SER 80 N -5.21 -0.32 0.00 8.00 1.04 -1.26 -4.67 113.70 111.29 1b20 s SER 80 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1b20 s SER 80 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1b20 s SER 80 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1b20 n GLY 81 N -0.33 -1.56 3.73 7.32 0.00 -1.26 -4.89 105.19 108.20 1b20 n GLY 81 Ca -0.08 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 1b20 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b20 s PHE 82 N 0.00 2.13 0.68 1.61 0.08 -1.26 -4.45 117.98 116.78 1b20 s PHE 82 Ca 0.00 1.62 -0.17 0.00 0.12 0.00 0.00 56.93 58.50 1b20 s PHE 82 Cb 0.00 -3.36 0.01 0.00 -0.57 0.00 0.00 43.02 39.10 1b20 s PHE 82 CO 0.00 -2.40 1.24 1.03 -0.10 0.00 0.00 175.22 174.99 1b20 s ARG 83 N -4.14 2.42 0.00 0.44 0.52 -1.26 -5.01 118.95 111.91 1b20 s ARG 83 Ca 0.71 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.79 1b20 s ARG 83 Cb -0.25 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1b20 s ARG 83 CO 0.47 -1.65 0.00 0.27 0.02 0.00 0.00 175.30 174.42 1b20 n ASN 84 N -2.25 0.00 -1.01 0.23 0.23 -1.26 -5.03 115.26 106.18 1b20 n ASN 84 Ca 0.14 -0.29 0.11 0.00 -0.53 0.00 0.00 54.58 54.01 1b20 n ASN 84 Cb 0.49 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.36 1b20 n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b20 n SER 85 N -0.88 3.18 -4.73 0.53 3.41 -1.26 -4.92 113.62 108.95 1b20 n SER 85 Ca 0.00 -1.94 -0.35 0.00 -0.26 0.00 0.00 58.87 56.32 1b20 n SER 85 Cb 0.00 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 63.70 1b20 n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b20 s ASP 86 N -1.48 6.28 0.00 4.04 1.01 -1.26 -1.70 116.67 123.56 1b20 s ASP 86 Ca 0.33 0.31 -0.04 0.00 0.71 0.00 0.00 52.55 53.86 1b20 s ASP 86 Cb 0.20 -2.11 -0.00 0.00 1.01 0.00 0.00 42.92 42.01 1b20 s ASP 86 CO 0.28 0.16 0.08 -0.13 0.21 0.00 0.00 175.17 175.77 1b20 s ARG 87 N 0.35 0.35 -0.13 8.23 1.81 -0.28 -1.67 118.95 127.62 1b20 s ARG 87 Ca 0.11 -0.35 -0.03 0.00 -1.72 0.00 0.00 55.73 53.73 1b20 s ARG 87 Cb -0.12 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 1b20 s ARG 87 CO -0.00 -0.07 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.01 1b20 s ILE 88 N -1.11 3.95 -0.14 1.52 2.07 0.26 -1.01 121.20 126.75 1b20 s ILE 88 Ca -0.12 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1b20 s ILE 88 Cb -0.07 -2.70 -0.01 0.00 0.13 0.00 0.00 42.46 39.81 1b20 s ILE 88 CO 0.00 0.53 -0.14 -0.76 -1.91 0.00 0.00 174.94 172.66 1b20 s LEU 89 N -0.05 2.63 -0.01 8.50 2.01 0.71 -1.08 118.68 131.39 1b20 s LEU 89 Ca 0.02 -0.38 0.00 0.00 0.01 0.00 0.00 54.13 53.78 1b20 s LEU 89 Cb -0.13 -1.59 0.02 0.00 0.01 0.00 0.00 46.19 44.49 1b20 s LEU 89 CO 0.02 0.14 0.01 -0.72 1.01 0.00 0.00 176.35 176.81 1b20 s TYR 90 N 0.49 0.08 0.52 0.29 1.13 -0.34 -0.47 117.35 119.05 1b20 s TYR 90 Ca -0.10 0.05 0.04 0.00 -1.41 0.00 0.00 57.07 55.65 1b20 s TYR 90 Cb -0.16 -0.17 0.04 0.00 -1.10 0.00 0.00 41.96 40.58 1b20 s TYR 90 CO 0.04 -0.05 0.73 -1.54 -2.51 0.00 0.00 175.55 172.22 1b20 s SER 91 N 0.55 5.30 0.14 -0.18 1.04 -0.60 -0.81 113.70 119.13 1b20 s SER 91 Ca -0.05 -0.28 0.20 0.00 0.48 0.00 0.00 55.95 56.30 1b20 s SER 91 Cb -0.07 -0.58 0.83 0.00 0.10 0.00 0.00 66.02 66.30 1b20 s SER 91 CO -0.01 -1.10 1.61 -1.54 0.98 0.00 0.00 173.24 173.18 1b20 n SER 92 N -2.21 0.37 -1.09 7.02 3.41 -0.32 -0.62 113.62 120.19 1b20 n SER 92 Ca 0.10 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 1b20 n SER 92 Cb 0.60 -0.67 0.24 0.00 -0.26 0.00 0.00 64.21 64.12 1b20 n SER 92 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1b20 n ASP 93 N -1.91 3.25 -1.29 4.04 8.00 -1.26 -4.97 116.55 122.41 1b20 n ASP 93 Ca 0.03 -1.96 -0.12 0.00 0.71 0.00 0.00 54.79 53.45 1b20 n ASP 93 Cb 0.21 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 1b20 n ASP 93 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1b20 n TRP 94 N 1.35 -0.47 -2.43 1.24 7.02 0.21 -5.01 117.44 119.35 1b20 n TRP 94 Ca 0.19 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.28 1b20 n TRP 94 Cb 0.57 -2.63 -0.04 0.00 -2.42 0.00 0.00 31.31 26.79 1b20 n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b20 s LEU 95 N -3.33 4.45 -0.06 -0.99 1.43 -1.26 -4.80 118.68 114.13 1b20 s LEU 95 Ca 0.00 2.29 0.02 0.00 -1.03 0.00 0.00 54.13 55.41 1b20 s LEU 95 Cb 0.00 -3.74 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1b20 s LEU 95 CO 0.00 -0.27 -0.12 -0.63 0.23 0.00 0.00 176.35 175.56 1b20 s ILE 96 N -1.25 1.08 0.13 -0.59 -1.09 -0.73 -1.56 121.20 117.19 1b20 s ILE 96 Ca 0.48 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1b20 s ILE 96 Cb -0.31 -0.98 -0.04 0.00 -1.58 0.00 0.00 42.46 39.54 1b20 s ILE 96 CO 0.40 0.34 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.99 1b20 s TYR 97 N 0.61 1.50 0.25 3.97 1.51 0.38 -1.05 117.35 124.52 1b20 s TYR 97 Ca -0.13 -0.54 0.11 0.00 -1.01 0.00 0.00 57.07 55.51 1b20 s TYR 97 Cb -0.15 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1b20 s TYR 97 CO 0.03 0.19 -0.18 -1.59 -1.11 0.00 0.00 175.55 172.89 1b20 s LYS 98 N -2.72 1.75 -0.01 -0.62 -2.85 0.69 -0.20 119.74 115.77 1b20 s LYS 98 Ca 0.11 -1.62 -0.01 0.00 -1.00 0.00 0.00 55.97 53.44 1b20 s LYS 98 Cb -0.05 -1.87 0.01 0.00 -2.06 0.00 0.00 37.83 33.86 1b20 s LYS 98 CO 0.04 0.36 0.04 -0.08 0.10 0.00 0.00 175.35 175.80 1b20 s THR 99 N -2.21 -0.00 -0.11 3.79 -1.32 -0.18 -0.98 115.64 114.63 1b20 s THR 99 Ca 0.27 0.01 0.15 0.00 -1.21 0.00 0.00 61.69 60.91 1b20 s THR 99 Cb -0.06 -0.06 0.25 0.00 -1.51 0.00 0.00 72.50 71.12 1b20 s THR 99 CO 0.14 0.00 1.13 0.35 -2.21 0.00 0.00 174.62 174.04 1b20 n THR 100 N 3.13 1.49 -2.69 5.08 -2.24 -1.26 -1.12 114.28 116.67 1b20 n THR 100 Ca -0.13 -1.90 -0.07 0.00 -2.27 0.00 0.00 64.05 59.68 1b20 n THR 100 Cb 0.59 -0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.84 1b20 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b20 n ASP 101 N -1.05 0.17 -3.78 3.42 5.68 -1.12 -4.58 116.55 115.28 1b20 n ASP 101 Ca 0.13 -2.56 -0.29 0.00 -0.50 0.00 0.00 54.79 51.57 1b20 n ASP 101 Cb 0.68 0.06 0.02 0.00 -1.14 0.00 0.00 41.12 40.74 1b20 n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1b20 n HIS 102 N -0.34 -1.81 -1.28 2.11 8.25 -0.69 -2.66 115.22 118.80 1b20 n HIS 102 Ca 0.04 0.58 -0.10 0.00 -0.26 0.00 0.00 57.72 57.98 1b20 n HIS 102 Cb 0.83 -3.62 -0.04 0.00 1.12 0.00 0.00 29.99 28.28 1b20 n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1b20 n TYR 103 N -4.28 0.00 0.01 4.41 4.01 -1.26 -4.89 117.16 115.16 1b20 n TYR 103 Ca -0.19 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.34 1b20 n TYR 103 Cb 0.63 -1.93 -0.14 0.00 -0.31 0.00 0.00 39.34 37.59 1b20 n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b20 h GLN 104 N 0.03 0.26 -5.51 -0.72 4.20 -1.92 -3.47 115.11 107.99 1b20 h GLN 104 Ca -0.20 -0.45 -0.43 0.00 0.06 0.00 0.00 58.65 57.63 1b20 h GLN 104 Cb 0.67 0.17 -0.18 0.00 0.30 0.00 0.00 27.48 28.44 1b20 h GLN 104 CO 0.29 1.22 -0.76 0.95 -0.67 0.00 0.00 178.83 179.86 1b20 s THR 105 N -2.50 1.45 0.05 -0.54 -4.23 -1.26 -5.10 115.64 103.51 1b20 s THR 105 Ca -0.20 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1b20 s THR 105 Cb 0.05 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1b20 s THR 105 CO 0.77 -0.43 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.95 1b20 s PHE 106 N -2.26 0.98 -0.06 3.99 0.08 -1.26 -4.45 117.98 114.99 1b20 s PHE 106 Ca 0.12 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.78 1b20 s PHE 106 Cb -0.04 -0.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.85 1b20 s PHE 106 CO 0.04 0.00 -0.11 0.99 -0.10 0.00 0.00 175.22 176.03 1b20 s THR 107 N -1.08 1.07 0.24 0.64 2.01 -0.15 -4.95 115.64 113.41 1b20 s THR 107 Ca -0.03 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1b20 s THR 107 Cb -0.09 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.35 1b20 s THR 107 CO 0.01 0.34 1.28 -0.75 -0.69 0.00 0.00 174.62 174.82 1b20 s LYS 108 N 0.67 4.41 0.00 4.92 2.20 -1.26 -0.22 119.74 130.45 1b20 s LYS 108 Ca -0.14 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 1b20 s LYS 108 Cb -0.15 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1b20 s LYS 108 CO 0.03 -0.18 0.00 0.44 -0.36 0.00 0.00 175.35 175.28 1b20 n ILE 109 N 2.07 0.00 -1.23 5.43 -5.35 -0.21 -4.88 119.36 115.18 1b20 n ILE 109 Ca 0.04 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1b20 n ILE 109 Cb 0.43 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 1b20 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33