#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gtz s SER 3 N 0.00 4.87 0.34 0.55 1.04 -1.26 -4.85 113.70 114.40 1gtz s SER 3 Ca 0.00 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.86 1gtz s SER 3 Cb 0.00 -0.93 0.62 0.00 0.10 0.00 0.00 66.02 65.82 1gtz s SER 3 CO 0.00 -0.16 1.94 -0.07 0.98 0.00 0.00 173.24 175.93 1gtz h LEU 4 N 1.61 0.61 -1.15 2.42 4.07 -1.91 -0.37 115.31 120.60 1gtz h LEU 4 Ca -0.45 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.37 1gtz h LEU 4 Cb 1.25 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1gtz h LEU 4 CO 0.61 0.55 -0.39 0.00 -1.08 0.00 0.00 178.44 178.13 1gtz h ALA 5 N 1.55 1.17 0.00 1.53 0.00 -1.88 -3.25 119.26 118.38 1gtz h ALA 5 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gtz h ALA 5 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gtz h ALA 5 CO -0.02 0.48 -1.26 0.09 0.00 0.00 0.00 179.25 178.54 1gtz n ASN 6 N -3.80 0.53 -3.58 0.00 5.03 -0.61 -4.98 115.26 107.85 1gtz n ASN 6 Ca -0.01 -0.18 -0.16 0.00 0.87 0.00 0.00 54.58 55.10 1gtz n ASN 6 Cb 0.46 1.07 -0.06 0.00 -1.02 0.00 0.00 39.78 40.22 1gtz n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gtz s ALA 7 N -3.28 -1.45 0.68 5.41 0.00 -0.25 -4.94 121.76 117.93 1gtz s ALA 7 Ca 0.01 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1gtz s ALA 7 Cb 0.14 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1gtz s ALA 7 CO 0.83 -0.39 1.06 -1.25 0.00 0.00 0.00 175.76 176.02 1gtz s PRO 8 N -1.56 2.96 -0.06 0.00 0.04 -1.26 -4.21 135.00 130.90 1gtz s PRO 8 Ca -0.10 1.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 1gtz s PRO 8 Cb -0.01 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1gtz s PRO 8 CO 0.06 -1.09 0.93 0.42 0.04 0.00 0.00 177.00 177.35 1gtz s ILE 9 N -2.87 4.87 -0.12 0.56 1.01 -0.13 -0.93 121.20 123.60 1gtz s ILE 9 Ca 0.60 1.91 -0.27 0.00 0.00 0.00 0.00 60.65 62.88 1gtz s ILE 9 Cb -0.15 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 1gtz s ILE 9 CO 0.50 0.11 0.91 -0.32 0.00 0.00 0.00 174.94 176.14 1gtz s MET 10 N 1.42 4.39 -0.21 2.79 -2.45 -0.40 -0.99 119.30 123.86 1gtz s MET 10 Ca 0.47 1.20 0.00 0.00 -1.25 0.00 0.00 55.69 56.11 1gtz s MET 10 Cb -0.19 -3.54 0.02 0.00 1.25 0.00 0.00 34.83 32.38 1gtz s MET 10 CO 0.21 -0.25 -0.14 0.42 1.05 0.00 0.00 175.02 176.31 1gtz s ILE 11 N 1.84 2.41 -0.05 10.11 1.01 -0.52 -0.75 121.20 135.26 1gtz s ILE 11 Ca 0.44 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 60.16 1gtz s ILE 11 Cb -0.18 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 1gtz s ILE 11 CO 0.17 0.38 -0.25 -0.76 0.00 0.00 0.00 174.94 174.48 1gtz s LEU 12 N 1.30 2.06 -0.09 2.97 1.43 0.48 -1.13 118.68 125.70 1gtz s LEU 12 Ca 0.02 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1gtz s LEU 12 Cb -0.15 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1gtz s LEU 12 CO -0.09 0.26 -0.24 0.20 0.23 0.00 0.00 176.35 176.72 1gtz s ASN 13 N -0.30 3.01 0.39 2.29 0.01 -0.49 -1.72 114.94 118.13 1gtz s ASN 13 Ca 0.01 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1gtz s ASN 13 Cb -0.12 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.28 1gtz s ASN 13 CO 0.02 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1gtz n GLY 14 N 3.42 -0.19 3.77 0.66 0.00 0.70 -1.07 105.19 112.47 1gtz n GLY 14 Ca -0.19 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1gtz n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gtz s PRO 15 N -1.08 3.80 0.00 1.61 0.04 -0.96 -3.24 135.00 135.17 1gtz s PRO 15 Ca 0.00 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1gtz s PRO 15 Cb 0.00 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1gtz s PRO 15 CO 0.00 -0.65 0.00 0.09 0.04 0.00 0.00 177.00 176.48 1gtz n ASN 16 N -0.10 0.00 0.25 6.66 3.02 -1.26 -4.55 115.26 119.28 1gtz n ASN 16 Ca 0.05 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.74 1gtz n ASN 16 Cb 0.43 -0.33 0.55 0.00 -0.61 0.00 0.00 39.78 39.82 1gtz n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1gtz h LEU 17 N 0.00 0.00 -1.90 3.41 3.38 -1.92 -1.79 115.31 116.49 1gtz h LEU 17 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1gtz h LEU 17 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1gtz h LEU 17 CO 0.00 0.09 0.35 -0.55 0.09 0.00 0.00 178.44 178.42 1gtz h ASN 18 N 0.00 0.09 -0.35 -0.43 -1.07 -1.88 -2.03 115.58 109.91 1gtz h ASN 18 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1gtz h ASN 18 Cb 0.65 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1gtz h ASN 18 CO 0.01 0.05 0.00 0.18 0.07 0.00 0.00 177.43 177.75 1gtz n LEU 19 N -4.42 2.02 -4.73 6.14 4.77 -0.67 -4.84 117.00 115.27 1gtz n LEU 19 Ca 0.08 -1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 54.63 1gtz n LEU 19 Cb 0.49 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1gtz n LEU 19 CO 0.36 0.47 1.25 -0.11 -1.33 0.00 0.00 177.39 178.02 1gtz n LEU 20 N 0.51 4.07 0.00 2.23 7.94 -0.77 -1.35 117.00 129.63 1gtz n LEU 20 Ca 0.12 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1gtz n LEU 20 Cb 0.34 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.73 1gtz n LEU 20 CO 0.09 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 1gtz n GLY 21 N 2.69 3.04 0.12 -3.96 0.00 -0.97 -3.85 105.19 102.27 1gtz n GLY 21 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1gtz n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gtz n GLN 22 N -0.53 0.62 -4.22 1.61 6.02 -0.45 -4.66 117.38 115.76 1gtz n GLN 22 Ca 0.00 0.14 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 1gtz n GLN 22 Cb 0.00 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.67 1gtz n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gtz s ALA 23 N -2.50 3.10 -0.96 -1.58 0.00 -0.69 -4.71 121.76 114.42 1gtz s ALA 23 Ca -0.34 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 50.21 1gtz s ALA 23 Cb 0.09 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1gtz s ALA 23 CO 0.58 0.66 0.55 1.04 0.00 0.00 0.00 175.76 178.59 1gtz n GLN 24 N 0.78 -0.46 0.21 0.00 6.02 -1.26 -4.72 117.38 117.94 1gtz n GLN 24 Ca -0.13 0.04 0.07 0.00 -0.01 0.00 0.00 57.00 56.97 1gtz n GLN 24 Cb 0.52 -1.84 0.48 0.00 1.02 0.00 0.00 30.24 30.42 1gtz n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1gtz h PRO 25 N -1.46 0.00 0.00 -1.09 0.13 -1.84 0.12 132.00 127.85 1gtz h PRO 25 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1gtz h PRO 25 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1gtz h PRO 25 CO 0.41 0.28 0.00 1.05 -0.23 0.00 0.00 178.00 179.51 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.88 -1.07 114.58 121.58 1gtz h GLU 26 Ca -0.00 0.00 -0.39 0.00 0.05 0.00 0.00 59.36 59.01 1gtz h GLU 26 Cb 0.61 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.65 1gtz h GLU 26 CO 0.04 0.00 -2.32 -0.89 0.05 0.00 0.00 179.01 175.89 1gtz n ILE 27 N -2.57 1.30 0.36 -1.06 5.41 -0.34 -4.78 119.36 117.68 1gtz n ILE 27 Ca 0.01 -0.35 0.07 0.00 1.00 0.00 0.00 62.75 63.48 1gtz n ILE 27 Cb 0.22 -1.77 0.10 0.00 -0.71 0.00 0.00 39.64 37.48 1gtz n ILE 27 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1gtz n TYR 28 N -3.97 0.17 0.00 1.39 4.02 -0.12 -4.68 117.16 113.97 1gtz n TYR 28 Ca -0.46 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.29 1gtz n TYR 28 Cb 0.84 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 1gtz n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gtz n GLY 29 N 0.79 0.24 0.54 2.72 0.00 -0.40 -4.77 105.19 104.31 1gtz n GLY 29 Ca 0.10 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.28 1gtz n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gtz n SER 30 N -0.58 2.67 -4.78 1.61 7.64 -1.26 -3.89 113.62 115.02 1gtz n SER 30 Ca 0.00 -1.91 -0.37 0.00 1.01 0.00 0.00 58.87 57.60 1gtz n SER 30 Cb 0.00 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 1gtz n SER 30 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1gtz s ASP 31 N -0.97 7.30 0.65 6.43 1.01 -1.26 -4.64 116.67 125.19 1gtz s ASP 31 Ca 0.19 1.86 0.01 0.00 0.71 0.00 0.00 52.55 55.32 1gtz s ASP 31 Cb 0.10 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.54 1gtz s ASP 31 CO 0.14 -0.10 0.91 0.42 0.21 0.00 0.00 175.17 176.75 1gtz s THR 32 N -1.60 2.31 0.37 -1.27 -4.23 -1.26 -2.29 115.64 107.67 1gtz s THR 32 Ca 0.50 -0.64 0.08 0.00 -1.18 0.00 0.00 61.69 60.46 1gtz s THR 32 Cb -0.19 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.13 1gtz s THR 32 CO 0.25 0.00 1.89 0.25 -0.54 0.00 0.00 174.62 176.46 1gtz h LEU 33 N -0.28 0.27 -0.74 4.79 5.85 -1.83 -1.56 115.31 121.81 1gtz h LEU 33 Ca -0.38 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 1gtz h LEU 33 Cb 1.28 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1gtz h LEU 33 CO 0.44 0.44 0.23 0.00 -0.34 0.00 0.00 178.44 179.21 1gtz h ALA 34 N 1.60 0.97 -0.73 1.25 0.00 -1.94 -0.63 119.26 119.77 1gtz h ALA 34 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gtz h ALA 34 Cb 0.40 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1gtz h ALA 34 CO 0.02 0.66 0.47 -0.44 0.00 0.00 0.00 179.25 179.96 1gtz h ASP 35 N 1.11 0.86 0.26 0.00 3.32 -1.78 -2.06 116.42 118.13 1gtz h ASP 35 Ca 0.24 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1gtz h ASP 35 Cb 0.31 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1gtz h ASP 35 CO -0.01 0.64 -0.13 0.58 -1.72 0.00 0.00 179.24 178.61 1gtz h VAL 36 N 1.00 0.76 -0.58 -1.35 2.07 -0.78 -1.90 116.25 115.47 1gtz h VAL 36 Ca 0.27 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.82 1gtz h VAL 36 Cb -0.08 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1gtz h VAL 36 CO -0.05 0.02 0.00 -0.08 0.02 0.00 0.00 177.57 177.47 1gtz h GLU 37 N -0.39 0.11 -0.50 1.57 4.81 -0.89 -1.82 114.58 117.48 1gtz h GLU 37 Ca -0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1gtz h GLU 37 Cb 0.30 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1gtz h GLU 37 CO 0.06 0.08 0.25 0.00 -0.73 0.00 0.00 179.01 178.67 1gtz h ALA 38 N 1.53 1.52 -0.76 2.92 0.00 -1.08 -0.61 119.26 122.78 1gtz h ALA 38 Ca 0.30 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1gtz h ALA 38 Cb 0.48 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1gtz h ALA 38 CO -0.50 0.40 0.45 -0.07 0.00 0.00 0.00 179.25 179.53 1gtz h LEU 39 N 0.69 0.69 -0.23 0.00 3.38 -0.64 -2.28 115.31 116.93 1gtz h LEU 39 Ca 0.18 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1gtz h LEU 39 Cb 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1gtz h LEU 39 CO -0.03 0.45 -0.28 0.00 0.09 0.00 0.00 178.44 178.67 1gtz h VAL 41 N 0.29 1.06 -0.41 0.00 2.07 -1.02 -1.70 116.25 116.53 1gtz h VAL 41 Ca 0.03 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1gtz h VAL 41 Cb 0.85 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1gtz h VAL 41 CO 0.07 0.09 0.11 0.50 0.02 0.00 0.00 177.57 178.36 1gtz h LYS 42 N 0.47 0.65 -0.68 1.57 3.64 -1.28 -0.07 116.57 120.87 1gtz h LYS 42 Ca 0.15 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1gtz h LYS 42 Cb -0.02 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1gtz h LYS 42 CO -0.06 0.66 0.14 0.00 -2.27 0.00 0.00 179.45 177.92 1gtz h ALA 43 N 0.97 0.95 -0.38 5.00 0.00 -1.11 -2.29 119.26 122.39 1gtz h ALA 43 Ca 0.13 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1gtz h ALA 43 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1gtz h ALA 43 CO -0.00 0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 1gtz h ALA 44 N 1.10 0.55 -0.35 0.00 0.00 -1.06 -2.85 119.26 116.65 1gtz h ALA 44 Ca 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1gtz h ALA 44 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1gtz h ALA 44 CO 0.01 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.90 1gtz h ALA 45 N 0.78 1.43 -0.00 0.00 0.00 -0.74 0.13 119.26 120.86 1gtz h ALA 45 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gtz h ALA 45 Cb 0.88 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1gtz h ALA 45 CO 0.08 0.41 0.03 0.00 0.00 0.00 0.00 179.25 179.77 1gtz h ALA 46 N 1.55 1.08 -0.50 0.00 0.00 -1.17 -2.57 119.26 117.65 1gtz h ALA 46 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gtz h ALA 46 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gtz h ALA 46 CO 0.00 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1gtz n HIS 47 N -3.13 0.85 -1.50 0.00 8.25 -0.16 -4.95 115.22 114.57 1gtz n HIS 47 Ca -0.03 -0.56 -0.04 0.00 -0.26 0.00 0.00 57.72 56.83 1gtz n HIS 47 Cb 0.10 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 1gtz n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gtz n GLY 48 N 0.82 0.50 3.28 -1.41 0.00 -0.97 -4.82 105.19 102.59 1gtz n GLY 48 Ca 0.19 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1gtz n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gtz n GLY 49 N -1.90 3.48 3.10 -0.02 0.00 0.27 -4.22 105.19 105.91 1gtz n GLY 49 Ca -0.04 -2.34 -0.08 0.00 0.00 0.00 0.00 46.02 43.55 1gtz n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gtz s THR 50 N -2.60 0.17 0.34 2.61 -4.23 -1.26 -3.23 115.64 107.43 1gtz s THR 50 Ca 0.05 -1.38 0.09 0.00 -1.18 0.00 0.00 61.69 59.27 1gtz s THR 50 Cb -0.00 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.66 1gtz s THR 50 CO 0.03 -0.76 -0.00 0.68 -0.54 0.00 0.00 174.62 174.03 1gtz s VAL 51 N -3.14 2.59 -0.37 2.29 -7.23 -1.26 -0.96 120.40 112.32 1gtz s VAL 51 Ca -0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1gtz s VAL 51 Cb 0.02 -2.77 0.12 0.00 0.56 0.00 0.00 36.38 34.31 1gtz s VAL 51 CO -0.07 -0.21 0.18 -0.62 -0.31 0.00 0.00 175.10 174.08 1gtz s ASP 52 N -3.70 3.59 -0.25 4.85 -1.08 -0.16 -4.84 116.67 115.07 1gtz s ASP 52 Ca 0.34 -2.15 -0.13 0.00 -0.52 0.00 0.00 52.55 50.09 1gtz s ASP 52 Cb 0.00 -0.79 -0.04 0.00 -1.46 0.00 0.00 42.92 40.63 1gtz s ASP 52 CO 0.19 -0.33 0.27 0.12 0.52 0.00 0.00 175.17 175.93 1gtz s PHE 53 N 1.00 3.29 0.04 -5.34 5.36 -1.26 -1.43 117.98 119.63 1gtz s PHE 53 Ca 0.15 0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 56.40 1gtz s PHE 53 Cb -0.22 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.03 1gtz s PHE 53 CO -0.09 -0.08 0.06 1.03 -1.46 0.00 0.00 175.22 174.69 1gtz s ARG 54 N 1.52 0.56 0.02 10.12 0.52 -0.28 -5.00 118.95 126.41 1gtz s ARG 54 Ca 0.11 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1gtz s ARG 54 Cb -0.15 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 1gtz s ARG 54 CO 0.08 -0.13 -0.04 -1.14 0.02 0.00 0.00 175.30 174.09 1gtz s GLN 55 N -2.68 0.32 -0.12 3.54 -0.44 -1.26 -1.40 119.66 117.62 1gtz s GLN 55 Ca -0.04 -0.48 -0.28 0.00 -2.50 0.00 0.00 55.36 52.05 1gtz s GLN 55 Cb -0.01 -0.07 0.07 0.00 -1.64 0.00 0.00 33.01 31.36 1gtz s GLN 55 CO -0.05 0.00 0.67 0.45 0.50 0.00 0.00 175.29 176.86 1gtz s SER 56 N -1.06 -0.66 0.00 6.67 0.15 -0.23 -4.98 113.70 113.60 1gtz s SER 56 Ca -0.09 0.91 0.25 0.00 0.70 0.00 0.00 55.95 57.71 1gtz s SER 56 Cb -0.07 0.81 0.44 0.00 -1.71 0.00 0.00 66.02 65.48 1gtz s SER 56 CO -0.00 -0.48 1.37 0.59 1.20 0.00 0.00 173.24 175.91 1gtz n ASN 57 N 1.50 0.55 -4.60 5.45 3.02 -1.26 -2.26 115.26 117.66 1gtz n ASN 57 Ca -0.17 -0.30 -0.38 0.00 -0.03 0.00 0.00 54.58 53.70 1gtz n ASN 57 Cb 0.56 0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 39.94 1gtz n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 58 N -3.01 3.23 0.20 3.10 3.76 -1.26 -4.72 115.29 116.60 1gtz s HIS 58 Ca 0.11 0.12 -0.11 0.00 -0.15 0.00 0.00 55.06 55.02 1gtz s HIS 58 Cb 0.17 -2.34 0.20 0.00 1.11 0.00 0.00 32.58 31.72 1gtz s HIS 58 CO 0.72 -0.12 1.79 1.49 -0.85 0.00 0.00 174.74 177.77 1gtz h GLU 59 N 8.15 0.56 -0.55 1.40 4.81 -2.00 -1.69 114.58 125.26 1gtz h GLU 59 Ca -0.36 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1gtz h GLU 59 Cb 1.18 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1gtz h GLU 59 CO 0.58 0.37 0.18 0.78 -0.73 0.00 0.00 179.01 180.19 1gtz h GLY 60 N 0.57 0.87 0.90 1.92 0.00 -1.99 -1.42 103.07 103.93 1gtz h GLY 60 Ca 0.27 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1gtz h GLY 60 CO -0.19 0.44 0.05 -2.09 0.00 0.00 0.00 176.54 174.76 1gtz h GLU 61 N 0.80 0.54 -0.87 4.80 4.81 -1.76 -1.56 114.58 121.34 1gtz h GLU 61 Ca 0.18 -0.14 0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1gtz h GLU 61 Cb 0.22 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 1gtz h GLU 61 CO -0.01 0.62 0.51 -0.07 -0.73 0.00 0.00 179.01 179.34 1gtz h LEU 62 N 0.37 0.75 -0.73 1.64 3.38 -1.13 -0.82 115.31 118.77 1gtz h LEU 62 Ca 0.10 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1gtz h LEU 62 Cb 0.34 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1gtz h LEU 62 CO 0.01 0.43 0.48 0.58 0.09 0.00 0.00 178.44 180.02 1gtz h VAL 63 N 0.86 1.18 -0.51 1.22 2.07 -0.93 -1.48 116.25 118.66 1gtz h VAL 63 Ca 0.42 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 1gtz h VAL 63 Cb 0.37 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1gtz h VAL 63 CO -0.24 0.18 -0.00 0.44 0.02 0.00 0.00 177.57 177.96 1gtz h ASP 64 N 0.98 0.82 0.33 0.57 3.32 -0.67 -1.89 116.42 119.88 1gtz h ASP 64 Ca 0.27 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1gtz h ASP 64 Cb -0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1gtz h ASP 64 CO -0.06 0.89 -0.51 -0.50 -1.72 0.00 0.00 179.24 177.33 1gtz h TRP 65 N 0.79 0.25 -0.57 4.55 6.55 -0.71 -1.23 115.95 125.58 1gtz h TRP 65 Ca 0.15 -0.08 -0.09 0.00 0.95 0.00 0.00 58.89 59.82 1gtz h TRP 65 Cb 0.48 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.71 1gtz h TRP 65 CO 0.03 0.67 0.01 0.82 -1.05 0.00 0.00 178.44 178.92 1gtz h ILE 66 N 0.16 1.26 -0.62 1.49 2.04 -0.73 -1.42 117.51 119.69 1gtz h ILE 66 Ca 0.00 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1gtz h ILE 66 Cb 0.96 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1gtz h ILE 66 CO 0.08 0.40 0.24 0.45 0.00 0.00 0.00 178.15 179.32 1gtz h HIS 67 N 0.88 0.92 -0.26 1.37 3.86 -0.62 -1.75 115.15 119.55 1gtz h HIS 67 Ca 0.16 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1gtz h HIS 67 Cb 0.53 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1gtz h HIS 67 CO 0.04 0.71 0.05 1.49 0.86 0.00 0.00 177.93 181.08 1gtz h GLU 68 N 0.89 0.43 -0.75 2.45 4.81 -0.81 -2.79 114.58 118.81 1gtz h GLU 68 Ca 0.21 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1gtz h GLU 68 Cb 0.19 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1gtz h GLU 68 CO -0.02 0.55 0.50 0.00 -0.73 0.00 0.00 179.01 179.31 1gtz h ALA 69 N 0.87 1.59 -0.99 2.92 0.00 -1.01 -0.83 119.26 121.80 1gtz h ALA 69 Ca 0.08 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.12 1gtz h ALA 69 Cb 0.32 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1gtz h ALA 69 CO 0.00 0.32 0.62 -0.09 0.00 0.00 0.00 179.25 180.10 1gtz h ARG 70 N 0.88 0.81 0.00 0.00 2.43 -1.04 -1.63 114.38 115.83 1gtz h ARG 70 Ca 0.31 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.28 1gtz h ARG 70 Cb 0.11 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1gtz h ARG 70 CO -0.09 0.53 -1.90 1.28 -1.51 0.00 0.00 179.97 178.28 1gtz n LEU 71 N -4.67 0.27 -0.00 3.80 4.77 -0.77 -4.79 117.00 115.61 1gtz n LEU 71 Ca 0.21 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1gtz n LEU 71 Cb 0.48 0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1gtz n LEU 71 CO 0.25 0.17 0.01 0.59 -1.33 0.00 0.00 177.39 177.09 1gtz n ASN 72 N -2.59 0.10 -4.42 -1.43 3.02 -0.39 -5.10 115.26 104.45 1gtz n ASN 72 Ca -0.14 -0.55 -0.23 0.00 -0.03 0.00 0.00 54.58 53.63 1gtz n ASN 72 Cb 0.81 0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 40.82 1gtz n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 73 N -1.03 2.13 -1.32 3.10 3.76 -0.67 -4.41 115.29 116.87 1gtz s HIS 73 Ca 0.00 -0.39 0.26 0.00 -0.15 0.00 0.00 55.06 54.78 1gtz s HIS 73 Cb 0.01 -0.97 0.67 0.00 1.11 0.00 0.00 32.58 33.40 1gtz s HIS 73 CO 0.04 0.57 1.52 0.00 -0.85 0.00 0.00 174.74 176.02 1gtz n GLY 75 N 1.43 -1.57 2.84 0.00 0.00 -1.26 -4.47 105.19 102.15 1gtz n GLY 75 Ca 0.09 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 1gtz n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gtz s ILE 76 N -2.16 0.32 -0.21 -0.61 1.01 -0.48 -1.27 121.20 117.81 1gtz s ILE 76 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 1gtz s ILE 76 Cb 0.00 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1gtz s ILE 76 CO 0.00 0.19 -0.01 -0.69 0.00 0.00 0.00 174.94 174.43 1gtz s VAL 77 N 1.09 3.85 -0.04 2.92 1.01 0.07 -1.04 120.40 128.26 1gtz s VAL 77 Ca -0.09 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1gtz s VAL 77 Cb -0.14 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1gtz s VAL 77 CO -0.01 0.42 -0.06 -0.51 0.00 0.00 0.00 175.10 174.94 1gtz s ILE 78 N 1.12 0.65 -0.54 2.22 2.07 -0.31 -0.38 121.20 126.04 1gtz s ILE 78 Ca 0.02 -0.21 -0.07 0.00 -1.41 0.00 0.00 60.65 58.98 1gtz s ILE 78 Cb -0.14 -0.64 0.14 0.00 0.13 0.00 0.00 42.46 41.94 1gtz s ILE 78 CO 0.01 0.24 0.39 0.21 -1.91 0.00 0.00 174.94 173.88 1gtz s ASN 79 N 0.73 5.62 0.00 4.50 3.84 -0.70 -0.79 114.94 128.14 1gtz s ASN 79 Ca -0.11 -2.26 0.26 0.00 0.21 0.00 0.00 52.86 50.97 1gtz s ASN 79 Cb -0.14 -1.96 1.19 0.00 -0.55 0.00 0.00 41.25 39.80 1gtz s ASN 79 CO 0.01 -0.57 1.86 -2.65 -2.79 0.00 0.00 177.10 172.96 1gtz n PRO 80 N 4.39 0.11 0.00 0.43 -0.02 -1.26 -0.22 135.00 138.43 1gtz n PRO 80 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1gtz n PRO 80 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1gtz n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gtz n ALA 81 N -1.44 0.00 -0.15 3.55 0.00 -1.26 -1.56 120.51 119.64 1gtz n ALA 81 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.71 1gtz n ALA 81 Cb 0.28 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.31 1gtz n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gtz h ALA 82 N -0.73 2.32 0.00 0.00 0.00 -1.93 -0.90 119.26 118.02 1gtz h ALA 82 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gtz h ALA 82 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gtz h ALA 82 CO 0.00 -0.54 0.00 0.66 0.00 0.00 0.00 179.25 179.37 1gtz n TYR 83 N -4.44 0.00 -0.33 0.00 0.53 -0.60 -2.04 117.16 110.29 1gtz n TYR 83 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 1gtz n TYR 83 Cb 0.65 -0.32 0.18 0.00 -1.03 0.00 0.00 39.34 38.81 1gtz n TYR 83 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1gtz h SER 84 N 0.00 1.03 1.13 7.72 0.02 -1.19 0.64 113.55 122.90 1gtz h SER 84 Ca 0.00 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1gtz h SER 84 Cb 0.18 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1gtz h SER 84 CO 0.00 0.71 -0.90 0.45 -1.14 0.00 0.00 176.83 175.95 1gtz h HIS 85 N 1.20 0.00 0.00 3.45 3.86 -1.59 0.22 115.15 122.29 1gtz h HIS 85 Ca 0.36 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.51 1gtz h HIS 85 Cb -0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1gtz h HIS 85 CO -0.00 0.67 -1.42 0.25 0.86 0.00 0.00 177.93 178.29 1gtz n THR 86 N -3.17 0.24 -3.10 2.45 -2.24 -1.02 -4.77 114.28 102.67 1gtz n THR 86 Ca -0.02 -0.24 -0.45 0.00 -2.27 0.00 0.00 64.05 61.07 1gtz n THR 86 Cb 0.83 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1gtz n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1gtz s SER 87 N -3.38 6.23 0.45 3.42 0.15 0.19 -4.81 113.70 115.95 1gtz s SER 87 Ca -0.03 -1.51 0.20 0.00 0.70 0.00 0.00 55.95 55.31 1gtz s SER 87 Cb 0.03 -2.31 1.09 0.00 -1.71 0.00 0.00 66.02 63.12 1gtz s SER 87 CO 0.30 -1.10 1.96 0.58 1.20 0.00 0.00 173.24 176.18 1gtz h VAL 88 N 5.88 0.90 -0.43 4.45 2.07 -1.94 -2.81 116.25 124.36 1gtz h VAL 88 Ca -0.26 -0.83 -0.14 0.00 0.82 0.00 0.00 66.70 66.29 1gtz h VAL 88 Cb 1.08 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1gtz h VAL 88 CO 1.09 0.22 -0.29 0.00 0.02 0.00 0.00 177.57 178.61 1gtz h ALA 89 N 1.78 0.61 -0.21 1.67 0.00 -1.97 -0.29 119.26 120.84 1gtz h ALA 89 Ca -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1gtz h ALA 89 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1gtz h ALA 89 CO 0.03 0.65 -0.57 0.82 0.00 0.00 0.00 179.25 180.18 1gtz h ILE 90 N 0.79 1.31 -0.23 0.00 2.04 -1.86 -1.53 117.51 118.02 1gtz h ILE 90 Ca 0.09 -1.80 0.06 0.00 1.00 0.00 0.00 64.86 64.20 1gtz h ILE 90 Cb 0.88 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.64 1gtz h ILE 90 CO 0.08 0.57 -0.32 0.25 0.00 0.00 0.00 178.15 178.73 1gtz h LEU 91 N 0.51 -1.02 -0.93 1.44 5.85 -1.25 -1.25 115.31 118.65 1gtz h LEU 91 Ca 0.00 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1gtz h LEU 91 Cb 1.15 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 1gtz h LEU 91 CO 0.11 -0.34 0.32 0.44 -0.34 0.00 0.00 178.44 178.63 1gtz h ASP 92 N -0.34 1.00 -0.19 1.25 3.32 -0.94 -0.64 116.42 119.88 1gtz h ASP 92 Ca 0.12 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1gtz h ASP 92 Cb 0.54 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1gtz h ASP 92 CO -0.42 0.87 -0.05 0.00 -1.72 0.00 0.00 179.24 177.93 1gtz h ALA 93 N 1.27 0.12 -0.48 3.45 0.00 -0.59 -2.10 119.26 120.93 1gtz h ALA 93 Ca 0.25 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1gtz h ALA 93 Cb 0.17 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1gtz h ALA 93 CO -0.03 -0.48 0.32 -0.07 0.00 0.00 0.00 179.25 179.00 1gtz h LEU 94 N -0.00 0.46 -0.84 0.00 3.38 -0.73 -2.14 115.31 115.44 1gtz h LEU 94 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1gtz h LEU 94 Cb 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1gtz h LEU 94 CO -0.20 0.32 0.00 0.78 0.09 0.00 0.00 178.44 179.43 1gtz h ASN 95 N 0.54 0.00 1.46 -0.43 -0.26 -0.45 -2.24 115.58 114.19 1gtz h ASN 95 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1gtz h ASN 95 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1gtz h ASN 95 CO -0.05 0.00 0.00 0.71 -1.06 0.00 0.00 177.43 177.03 1gtz h THR 96 N 0.00 0.00 -1.91 2.81 1.35 -1.04 -3.40 112.91 110.72 1gtz h THR 96 Ca 0.00 -0.49 -0.77 0.00 -0.55 0.00 0.00 66.41 64.60 1gtz h THR 96 Cb 0.48 1.48 -0.19 0.00 -1.73 0.00 0.00 68.15 68.18 1gtz h THR 96 CO 0.00 0.00 1.60 0.00 -0.25 0.00 0.00 175.52 176.87 1gtz n ASP 98 N 3.61 1.75 0.00 0.00 2.03 -1.26 -2.01 116.55 120.67 1gtz n ASP 98 Ca 0.36 0.40 0.00 0.00 0.52 0.00 0.00 54.79 56.06 1gtz n ASP 98 Cb 0.37 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 1gtz n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gtz n GLY 99 N 6.70 2.81 3.72 0.27 0.00 -1.26 -5.00 105.19 112.44 1gtz n GLY 99 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 1gtz n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gtz s LEU 100 N 0.00 4.38 0.20 0.99 2.96 -0.85 -4.95 118.68 121.41 1gtz s LEU 100 Ca 0.00 2.52 -0.30 0.00 -0.22 0.00 0.00 54.13 56.12 1gtz s LEU 100 Cb 0.00 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 1gtz s LEU 100 CO 0.00 -0.72 1.43 -2.84 -1.32 0.00 0.00 176.35 172.90 1gtz s PRO 101 N 0.70 4.29 -0.04 0.98 0.02 -1.26 -4.93 135.00 134.77 1gtz s PRO 101 Ca 0.65 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.91 1gtz s PRO 101 Cb -0.41 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 30.98 1gtz s PRO 101 CO 0.34 -0.42 -0.05 0.08 -0.33 0.00 0.00 177.00 176.62 1gtz s VAL 102 N 0.38 0.55 -0.13 3.83 1.01 -1.26 -1.39 120.40 123.41 1gtz s VAL 102 Ca 0.61 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1gtz s VAL 102 Cb -0.40 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1gtz s VAL 102 CO 0.38 0.22 -0.14 -0.69 0.00 0.00 0.00 175.10 174.88 1gtz s VAL 103 N 0.81 1.47 -0.10 2.92 1.01 -0.21 -0.97 120.40 125.33 1gtz s VAL 103 Ca -0.11 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1gtz s VAL 103 Cb -0.14 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1gtz s VAL 103 CO 0.00 0.44 0.44 -0.70 0.00 0.00 0.00 175.10 175.29 1gtz s GLU 104 N 1.28 4.26 -0.05 2.72 2.12 -0.65 -1.16 118.70 127.22 1gtz s GLU 104 Ca -0.00 0.40 0.04 0.00 0.36 0.00 0.00 54.97 55.77 1gtz s GLU 104 Cb -0.14 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 1gtz s GLU 104 CO -0.06 0.26 -0.18 0.08 -0.54 0.00 0.00 175.26 174.82 1gtz s VAL 105 N 0.31 1.49 -0.07 3.70 1.01 0.03 -0.94 120.40 125.94 1gtz s VAL 105 Ca 0.24 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1gtz s VAL 105 Cb -0.15 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 1gtz s VAL 105 CO 0.10 0.43 -0.22 -1.00 0.00 0.00 0.00 175.10 174.41 1gtz s HIS 106 N 0.16 2.25 0.03 5.22 3.76 0.23 -4.01 115.29 122.93 1gtz s HIS 106 Ca -0.07 -0.76 -0.22 0.00 -0.15 0.00 0.00 55.06 53.86 1gtz s HIS 106 Cb -0.13 -1.50 -0.15 0.00 1.11 0.00 0.00 32.58 31.91 1gtz s HIS 106 CO 0.03 -0.27 1.40 0.82 -0.85 0.00 0.00 174.74 175.87 1gtz h ILE 107 N 5.36 1.31 -3.43 0.60 2.04 -1.86 -1.96 117.51 119.58 1gtz h ILE 107 Ca -0.28 -1.02 -0.48 0.00 1.00 0.00 0.00 64.86 64.08 1gtz h ILE 107 Cb 1.20 1.77 0.04 0.00 -0.74 0.00 0.00 36.82 39.09 1gtz h ILE 107 CO 0.47 0.29 0.08 -0.94 0.00 0.00 0.00 178.15 178.05 1gtz s SER 108 N -5.83 6.00 -1.01 1.72 1.04 -1.26 -2.81 113.70 111.55 1gtz s SER 108 Ca -0.15 0.74 -0.21 0.00 0.48 0.00 0.00 55.95 56.81 1gtz s SER 108 Cb 0.04 -1.96 0.08 0.00 0.10 0.00 0.00 66.02 64.29 1gtz s SER 108 CO 0.71 -0.73 1.34 0.21 0.98 0.00 0.00 173.24 175.76 1gtz s ASN 109 N -4.18 6.58 0.41 7.02 3.84 -1.26 -2.09 114.94 125.25 1gtz s ASN 109 Ca 0.49 -1.76 0.19 0.00 0.21 0.00 0.00 52.86 51.99 1gtz s ASN 109 Cb -0.10 -2.50 1.11 0.00 -0.55 0.00 0.00 41.25 39.20 1gtz s ASN 109 CO 0.43 -1.31 1.79 0.16 -2.79 0.00 0.00 177.10 175.39 1gtz h ILE 110 N 6.32 0.56 0.00 -5.21 3.07 -1.93 -1.63 117.51 118.70 1gtz h ILE 110 Ca 0.20 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 66.48 1gtz h ILE 110 Cb 1.00 0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 1gtz h ILE 110 CO 1.31 0.07 0.00 0.45 -1.05 0.00 0.00 178.15 178.93 1gtz h HIS 111 N 0.39 0.00 -0.02 0.16 3.86 -1.89 -1.93 115.15 115.72 1gtz h HIS 111 Ca 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 1gtz h HIS 111 Cb 1.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.92 1gtz h HIS 111 CO -0.00 0.00 -0.13 1.04 0.86 0.00 0.00 177.93 179.69 1gtz n GLN 112 N -2.76 1.66 -0.09 2.45 6.02 -0.61 -4.98 117.38 119.08 1gtz n GLN 112 Ca -0.02 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 1gtz n GLN 112 Cb 0.06 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1gtz n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1gtz n ARG 113 N 0.39 3.04 -1.66 -1.09 1.74 -0.73 -5.07 116.66 113.29 1gtz n ARG 113 Ca 0.14 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.85 1gtz n ARG 113 Cb 0.46 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.95 1gtz n ARG 113 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gtz n GLU 114 N -0.06 1.03 0.08 5.56 4.71 -1.26 -4.89 120.64 125.81 1gtz n GLU 114 Ca 0.00 0.40 0.14 0.00 -0.01 0.00 0.00 57.16 57.69 1gtz n GLU 114 Cb 0.00 -2.30 0.64 0.00 -1.01 0.00 0.00 31.44 28.77 1gtz n GLU 114 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1gtz h PRO 115 N 0.60 0.06 0.00 3.49 0.11 -1.97 0.43 132.00 134.73 1gtz h PRO 115 Ca -0.49 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1gtz h PRO 115 Cb 1.35 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1gtz h PRO 115 CO 0.52 0.04 -0.15 0.27 -0.21 0.00 0.00 178.00 178.48 1gtz h PHE 116 N 0.07 0.00 -0.00 0.65 -5.15 -1.97 -1.24 116.94 109.30 1gtz h PHE 116 Ca 0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 1gtz h PHE 116 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.73 1gtz h PHE 116 CO -0.00 0.15 -0.12 0.54 -2.00 0.00 0.00 178.31 176.88 1gtz n ARG 117 N -3.51 0.07 0.23 6.09 1.74 0.14 -4.35 116.66 117.07 1gtz n ARG 117 Ca -0.01 -0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.16 1gtz n ARG 117 Cb 0.30 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.70 1gtz n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gtz h HIS 118 N 0.04 0.00 -3.42 -1.55 3.86 -1.29 -3.43 115.15 109.35 1gtz h HIS 118 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1gtz h HIS 118 Cb 0.48 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.71 1gtz h HIS 118 CO 0.00 0.20 -0.72 -1.58 0.86 0.00 0.00 177.93 176.69 1gtz s HIS 119 N -3.61 2.90 -0.14 2.45 5.65 -1.26 -4.91 115.29 116.37 1gtz s HIS 119 Ca 0.01 -0.37 0.01 0.00 0.25 0.00 0.00 55.06 54.96 1gtz s HIS 119 Cb 0.10 -1.85 -0.00 0.00 -1.18 0.00 0.00 32.58 29.65 1gtz s HIS 119 CO 0.63 -0.03 -0.18 0.45 -0.65 0.00 0.00 174.74 174.96 1gtz s SER 120 N 0.08 3.49 0.22 9.88 0.15 -1.26 -4.28 113.70 121.99 1gtz s SER 120 Ca -0.03 -0.50 -0.07 0.00 0.70 0.00 0.00 55.95 56.06 1gtz s SER 120 Cb -0.14 -1.52 0.19 0.00 -1.71 0.00 0.00 66.02 62.85 1gtz s SER 120 CO 0.04 0.11 1.78 1.88 1.20 0.00 0.00 173.24 178.25 1gtz h TYR 121 N 7.11 1.17 -0.46 3.44 -1.99 -1.24 -2.99 116.97 122.00 1gtz h TYR 121 Ca -0.29 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.35 1gtz h TYR 121 Cb 1.20 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 39.56 1gtz h TYR 121 CO 0.49 0.90 0.30 0.28 -0.00 0.00 0.00 178.16 180.13 1gtz h VAL 122 N 1.11 1.12 -0.20 -2.88 2.07 -1.86 -2.99 116.25 112.62 1gtz h VAL 122 Ca 0.25 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1gtz h VAL 122 Cb 0.24 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1gtz h VAL 122 CO -0.02 0.12 0.20 0.77 0.02 0.00 0.00 177.57 178.66 1gtz h SER 123 N 0.63 0.00 1.10 0.57 4.64 -1.88 -0.30 113.55 118.31 1gtz h SER 123 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1gtz h SER 123 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1gtz h SER 123 CO -0.04 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.48 1gtz h GLN 124 N 0.00 0.00 0.00 4.77 1.08 -1.67 -3.30 115.11 115.99 1gtz h GLN 124 Ca 0.09 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.05 1gtz h GLN 124 Cb 0.48 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.87 1gtz h GLN 124 CO -0.00 0.00 -1.92 -2.13 -0.95 0.00 0.00 178.83 173.83 1gtz n ARG 125 N -3.04 1.49 -1.74 1.46 3.00 -0.74 -5.02 116.66 112.07 1gtz n ARG 125 Ca 0.01 0.02 -0.39 0.00 -0.00 0.00 0.00 57.85 57.49 1gtz n ARG 125 Cb 0.32 -1.34 0.04 0.00 0.00 0.00 0.00 32.46 31.48 1gtz n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gtz n ALA 126 N -2.62 1.55 -0.08 5.13 0.00 -0.20 -4.90 120.51 119.39 1gtz n ALA 126 Ca -0.24 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1gtz n ALA 126 Cb 0.90 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 1gtz n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gtz h ASP 127 N 1.51 0.65 -4.72 0.00 3.32 -1.39 -3.46 116.42 112.32 1gtz h ASP 127 Ca -0.50 -0.47 -0.23 0.00 0.02 0.00 0.00 57.03 55.84 1gtz h ASP 127 Cb 1.30 -0.18 -0.17 0.00 0.22 0.00 0.00 39.33 40.50 1gtz h ASP 127 CO 0.57 0.98 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.54 1gtz s GLY 128 N -3.60 0.64 -0.03 2.75 0.00 -1.20 -5.06 107.32 100.81 1gtz s GLY 128 Ca -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1gtz s GLY 128 CO 0.81 -1.20 0.00 0.14 0.00 0.00 0.00 173.10 172.85 1gtz s VAL 129 N -2.81 0.16 -0.14 1.40 1.01 -1.26 -1.64 120.40 117.12 1gtz s VAL 129 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1gtz s VAL 129 Cb -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1gtz s VAL 129 CO -0.03 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.32 1gtz s VAL 130 N 1.00 2.33 0.02 2.92 1.01 -0.11 -4.98 120.40 122.58 1gtz s VAL 130 Ca -0.10 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1gtz s VAL 130 Cb -0.13 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1gtz s VAL 130 CO -0.02 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.52 1gtz s ALA 131 N 0.75 0.76 -0.57 5.51 0.00 -1.26 -0.60 121.76 126.35 1gtz s ALA 131 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1gtz s ALA 131 Cb -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1gtz s ALA 131 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1gtz n GLY 132 N 2.17 0.77 1.75 0.00 0.00 -0.74 -4.77 105.19 104.37 1gtz n GLY 132 Ca -0.17 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1gtz n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gtz n GLY 134 N 0.87 0.99 0.07 0.00 0.00 -1.12 -2.59 105.19 103.41 1gtz n GLY 134 Ca 0.27 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1gtz n GLY 134 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gtz n VAL 135 N 0.00 0.86 0.23 1.61 0.24 -1.26 -1.99 118.33 118.02 1gtz n VAL 135 Ca 0.00 0.21 0.11 0.00 -2.04 0.00 0.00 64.34 62.62 1gtz n VAL 135 Cb 0.00 -1.05 0.55 0.00 -1.47 0.00 0.00 33.84 31.86 1gtz n VAL 135 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1gtz h GLN 136 N 0.00 0.00 -0.33 7.34 4.15 -1.93 -1.96 115.11 122.39 1gtz h GLN 136 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 1gtz h GLN 136 Cb 0.34 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1gtz h GLN 136 CO 0.00 0.20 0.26 0.78 -1.93 0.00 0.00 178.83 178.14 1gtz h GLY 137 N 1.65 0.00 1.34 2.39 0.00 -1.15 0.20 103.07 107.49 1gtz h GLY 137 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1gtz h GLY 137 CO 0.03 0.00 -0.14 -0.97 0.00 0.00 0.00 176.54 175.45 1gtz h TYR 138 N 0.00 0.86 -0.47 5.60 -1.99 -1.56 0.09 116.97 119.50 1gtz h TYR 138 Ca 0.16 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 1gtz h TYR 138 Cb 0.68 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.18 1gtz h TYR 138 CO 0.00 0.87 0.04 0.28 -0.00 0.00 0.00 178.16 179.34 1gtz h VAL 139 N 0.69 1.26 -0.99 -2.88 2.07 -1.12 -0.23 116.25 115.05 1gtz h VAL 139 Ca 0.11 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1gtz h VAL 139 Cb 0.63 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 1gtz h VAL 139 CO 0.04 0.35 0.65 -0.26 0.02 0.00 0.00 177.57 178.37 1gtz h PHE 140 N 0.66 1.22 0.05 1.57 0.05 -1.03 -1.35 116.94 118.11 1gtz h PHE 140 Ca 0.14 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.96 1gtz h PHE 140 Cb 0.45 -0.41 0.00 0.00 2.00 0.00 0.00 35.95 37.99 1gtz h PHE 140 CO 0.03 0.71 -0.02 0.78 -0.18 0.00 0.00 178.31 179.63 1gtz h GLY 141 N 1.26 -0.07 0.22 -1.45 0.00 -0.00 -0.64 103.07 102.39 1gtz h GLY 141 Ca 0.39 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.83 1gtz h GLY 141 CO -0.12 -0.02 -0.08 -2.08 0.00 0.00 0.00 176.54 174.23 1gtz h VAL 142 N -0.20 0.61 -0.81 4.60 2.07 -0.78 -1.86 116.25 119.89 1gtz h VAL 142 Ca -0.01 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1gtz h VAL 142 Cb 0.18 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1gtz h VAL 142 CO 0.01 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.81 1gtz h GLU 143 N 0.02 1.06 -0.40 1.57 5.08 -0.92 -1.06 114.58 119.94 1gtz h GLU 143 Ca 0.19 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1gtz h GLU 143 Cb 0.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1gtz h GLU 143 CO -0.40 0.70 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.00 1gtz h ARG 144 N 1.09 0.85 -0.91 2.33 9.65 -0.65 -1.38 114.38 125.36 1gtz h ARG 144 Ca 0.30 -0.38 0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1gtz h ARG 144 Cb -0.12 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.39 1gtz h ARG 144 CO -0.07 1.02 0.60 0.82 2.80 0.00 0.00 179.97 185.15 1gtz h ILE 145 N 0.65 1.21 -0.65 1.20 1.08 -1.07 -1.13 117.51 118.81 1gtz h ILE 145 Ca 0.08 -0.42 -0.09 0.00 -0.39 0.00 0.00 64.86 64.05 1gtz h ILE 145 Cb 0.78 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 1gtz h ILE 145 CO 0.06 0.22 0.07 0.00 -0.69 0.00 0.00 178.15 177.81 1gtz h ALA 146 N 1.35 0.87 -0.34 1.87 0.00 -0.96 0.27 119.26 122.31 1gtz h ALA 146 Ca 0.34 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1gtz h ALA 146 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1gtz h ALA 146 CO -0.09 0.66 -0.37 0.00 0.00 0.00 0.00 179.25 179.45 1gtz h ALA 147 N 1.03 0.69 0.01 0.00 0.00 -0.86 -2.85 119.26 117.27 1gtz h ALA 147 Ca 0.19 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 1gtz h ALA 147 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1gtz h ALA 147 CO 0.02 0.67 -0.88 -0.07 0.00 0.00 0.00 179.25 178.99 1gtz h LEU 148 N 0.66 0.16 -0.61 0.00 3.38 -0.75 -3.15 115.31 115.00 1gtz h LEU 148 Ca 0.06 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1gtz h LEU 148 Cb 0.93 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1gtz h LEU 148 CO 0.09 0.96 -0.42 0.00 0.09 0.00 0.00 178.44 179.16 1gtz h ALA 149 N 1.03 0.79 -0.01 1.53 0.00 -1.04 -3.49 119.26 118.07 1gtz h ALA 149 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1gtz h ALA 149 Cb 1.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1gtz h ALA 149 CO 0.13 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.44