#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 6.01 0.47 0.55 1.04 -1.26 -4.77 113.70 115.75 1gtz s SER 3 Ca 0.00 -0.12 0.14 0.00 0.48 0.00 0.00 55.95 56.45 1gtz s SER 3 Cb 0.00 -1.48 1.10 0.00 0.10 0.00 0.00 66.02 65.74 1gtz s SER 3 CO 0.00 -0.24 2.08 -0.07 0.98 0.00 0.00 173.24 175.98 1gtz h LEU 4 N 1.09 0.09 -0.99 2.42 4.07 -1.93 -1.84 115.31 118.22 1gtz h LEU 4 Ca -0.48 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.37 1gtz h LEU 4 Cb 1.24 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1gtz h LEU 4 CO 0.57 0.13 -0.41 0.00 -1.08 0.00 0.00 178.44 177.65 1gtz h ALA 5 N 1.88 1.15 0.00 1.53 0.00 -1.89 -3.29 119.26 118.64 1gtz h ALA 5 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1gtz h ALA 5 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1gtz h ALA 5 CO 0.00 0.57 -0.86 0.09 0.00 0.00 0.00 179.25 179.06 1gtz n ASN 6 N -4.03 0.64 -3.57 0.00 5.03 -0.75 -4.99 115.26 107.60 1gtz n ASN 6 Ca -0.02 -0.31 -0.15 0.00 0.87 0.00 0.00 54.58 54.97 1gtz n ASN 6 Cb 0.47 0.64 -0.06 0.00 -1.02 0.00 0.00 39.78 39.81 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 -3.12 -1.80 0.65 5.41 0.00 -0.87 -4.93 121.76 117.10 1gtz s ALA 7 Ca 0.06 1.63 -0.15 0.00 0.00 0.00 0.00 51.96 53.50 1gtz s ALA 7 Cb 0.15 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1gtz s ALA 7 CO 0.78 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 176.04 1gtz s PRO 8 N -0.54 2.88 -0.15 0.00 0.04 -1.26 -4.37 135.00 131.60 1gtz s PRO 8 Ca -0.05 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 1gtz s PRO 8 Cb -0.02 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1gtz s PRO 8 CO 0.05 -1.18 1.08 0.42 0.04 0.00 0.00 177.00 177.42 1gtz s ILE 9 N -2.40 4.60 -0.08 0.56 1.01 -0.08 -1.28 121.20 123.53 1gtz s ILE 9 Ca 0.66 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 62.92 1gtz s ILE 9 Cb -0.19 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1gtz s ILE 9 CO 0.41 -0.08 1.27 -0.32 0.00 0.00 0.00 174.94 176.22 1gtz s MET 10 N 2.67 4.30 -0.31 2.79 -2.45 -0.63 -1.78 119.30 123.90 1gtz s MET 10 Ca 0.49 1.74 -0.00 0.00 -1.25 0.00 0.00 55.69 56.67 1gtz s MET 10 Cb -0.18 -3.64 0.07 0.00 1.25 0.00 0.00 34.83 32.32 1gtz s MET 10 CO 0.14 -0.56 0.01 0.42 1.05 0.00 0.00 175.02 176.08 1gtz s ILE 11 N 2.70 2.77 -0.10 10.11 1.01 -0.44 -1.30 121.20 135.94 1gtz s ILE 11 Ca 0.58 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1gtz s ILE 11 Cb -0.25 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1gtz s ILE 11 CO 0.21 -0.23 -0.11 -0.76 0.00 0.00 0.00 174.94 174.05 1gtz s LEU 12 N 1.16 2.84 -0.09 2.97 1.43 0.32 -1.29 118.68 126.02 1gtz s LEU 12 Ca -0.02 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1gtz s LEU 12 Cb -0.20 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1gtz s LEU 12 CO -0.03 0.24 -0.21 0.20 0.23 0.00 0.00 176.35 176.78 1gtz s ASN 13 N -0.07 2.73 0.00 2.29 0.01 -0.52 -1.54 114.94 117.85 1gtz s ASN 13 Ca -0.02 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1gtz s ASN 13 Cb -0.14 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.29 1gtz s ASN 13 CO 0.04 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 1gtz n GLY 14 N 3.58 -0.15 3.76 0.66 0.00 0.80 -0.81 105.19 113.03 1gtz n GLY 14 Ca -0.20 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 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 0.66 3.47 0.00 1.61 0.04 -1.10 -3.29 135.00 136.39 1gtz s PRO 15 Ca 0.00 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1gtz s PRO 15 Cb 0.00 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1gtz s PRO 15 CO 0.00 -0.81 0.00 0.09 0.04 0.00 0.00 177.00 176.32 1gtz n ASN 16 N -0.85 0.00 0.18 6.66 3.02 -1.26 -4.54 115.26 118.47 1gtz n ASN 16 Ca 0.09 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 1gtz n ASN 16 Cb 0.48 -0.62 0.44 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.01 3.41 3.38 -1.92 -1.66 115.31 116.51 1gtz h LEU 17 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 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 0.00 0.43 -0.55 0.09 0.00 0.00 178.44 178.41 1gtz h ASN 18 N 0.00 0.00 -0.25 -0.43 -1.07 -1.88 -1.34 115.58 110.61 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 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 1gtz h ASN 18 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1gtz n LEU 19 N -4.25 1.54 -4.67 6.14 4.77 -0.63 -4.82 117.00 115.10 1gtz n LEU 19 Ca 0.11 -0.74 -0.48 0.00 -0.03 0.00 0.00 56.01 54.87 1gtz n LEU 19 Cb 0.66 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1gtz n LEU 19 CO 0.36 0.37 1.25 -0.11 -1.33 0.00 0.00 177.39 177.93 1gtz n LEU 20 N 0.31 2.96 0.00 2.23 7.94 -0.51 -0.89 117.00 129.04 1gtz n LEU 20 Ca 0.12 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1gtz n LEU 20 Cb 0.26 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.85 1gtz n LEU 20 CO 0.09 -0.33 0.00 0.61 -1.11 0.00 0.00 177.39 176.65 1gtz n GLY 21 N 3.65 3.20 0.14 -3.96 0.00 -1.13 -3.83 105.19 103.25 1gtz n GLY 21 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.06 0.71 -4.25 1.61 6.02 -0.07 -4.64 117.38 115.70 1gtz n GLN 22 Ca 0.00 0.23 -0.31 0.00 -0.01 0.00 0.00 57.00 56.91 1gtz n GLN 22 Cb 0.00 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 29.53 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 -2.54 3.12 -1.46 -1.58 0.00 -0.92 -4.76 121.76 113.62 1gtz s ALA 23 Ca -0.28 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 1gtz s ALA 23 Cb 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1gtz s ALA 23 CO 0.69 0.66 0.23 1.04 0.00 0.00 0.00 175.76 178.38 1gtz n GLN 24 N 0.90 -1.82 0.32 0.00 6.02 -1.26 -4.76 117.38 116.78 1gtz n GLN 24 Ca -0.13 0.22 0.20 0.00 -0.01 0.00 0.00 57.00 57.28 1gtz n GLN 24 Cb 0.52 -3.90 1.11 0.00 1.02 0.00 0.00 30.24 28.99 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 -1.86 0.00 0.00 -1.09 0.13 -1.86 -0.51 132.00 126.81 1gtz h PRO 25 Ca -0.65 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.43 1gtz h PRO 25 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1gtz h PRO 25 CO 0.66 0.00 -0.21 1.05 -0.23 0.00 0.00 178.00 179.27 1gtz h GLU 26 N 0.00 0.00 0.01 0.86 9.09 -1.88 0.47 114.58 123.13 1gtz h GLU 26 Ca 0.00 0.00 -0.41 0.00 0.05 0.00 0.00 59.36 59.00 1gtz h GLU 26 Cb 0.01 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.05 1gtz h GLU 26 CO -0.00 0.21 -2.35 -0.89 0.05 0.00 0.00 179.01 176.02 1gtz n ILE 27 N -3.32 1.54 0.30 -1.06 5.41 -0.35 -4.74 119.36 117.14 1gtz n ILE 27 Ca 0.01 -0.45 0.06 0.00 1.00 0.00 0.00 62.75 63.37 1gtz n ILE 27 Cb 0.45 -1.71 0.08 0.00 -0.71 0.00 0.00 39.64 37.75 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 -3.83 0.13 0.00 1.39 4.02 -0.36 -4.64 117.16 113.88 1gtz n TYR 28 Ca -0.47 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.28 1gtz n TYR 28 Cb 0.92 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 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 0.63 -0.22 0.23 2.72 0.00 0.16 -4.79 105.19 103.93 1gtz n GLY 29 Ca 0.08 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.55 1.77 -4.79 1.61 7.64 -1.26 -3.91 113.62 114.13 1gtz n SER 30 Ca 0.00 -1.49 -0.38 0.00 1.01 0.00 0.00 58.87 58.01 1gtz n SER 30 Cb 0.00 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.62 7.28 0.56 6.43 1.01 -1.26 -4.71 116.67 125.35 1gtz s ASP 31 Ca 0.07 1.58 -0.00 0.00 0.71 0.00 0.00 52.55 54.91 1gtz s ASP 31 Cb 0.05 -2.48 0.03 0.00 1.01 0.00 0.00 42.92 41.53 1gtz s ASP 31 CO 0.07 0.14 0.80 0.42 0.21 0.00 0.00 175.17 176.80 1gtz s THR 32 N -1.30 2.89 0.31 -1.27 -4.23 -1.26 -2.86 115.64 107.92 1gtz s THR 32 Ca 0.39 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1gtz s THR 32 Cb -0.21 -3.11 0.28 0.00 1.34 0.00 0.00 72.50 70.80 1gtz s THR 32 CO 0.24 -0.08 1.94 0.25 -0.54 0.00 0.00 174.62 176.43 1gtz h LEU 33 N 0.02 0.88 -0.71 4.79 5.85 -1.83 0.29 115.31 124.60 1gtz h LEU 33 Ca -0.43 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.36 1gtz h LEU 33 Cb 1.29 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1gtz h LEU 33 CO 0.55 0.59 0.39 0.00 -0.34 0.00 0.00 178.44 179.62 1gtz h ALA 34 N 1.52 0.97 -0.41 1.25 0.00 -1.94 0.74 119.26 121.38 1gtz h ALA 34 Ca 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1gtz h ALA 34 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gtz h ALA 34 CO -0.11 0.04 0.24 -0.44 0.00 0.00 0.00 179.25 178.98 1gtz h ASP 35 N 0.69 0.50 -0.41 0.00 3.32 -1.43 -0.99 116.42 118.10 1gtz h ASP 35 Ca 0.33 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1gtz h ASP 35 Cb 0.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1gtz h ASP 35 CO -0.21 0.41 0.11 0.58 -1.72 0.00 0.00 179.24 178.42 1gtz h VAL 36 N 0.54 1.22 -0.78 -1.35 2.07 -0.39 -2.01 116.25 115.55 1gtz h VAL 36 Ca 0.15 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 67.02 1gtz h VAL 36 Cb 0.01 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 1gtz h VAL 36 CO -0.03 0.26 0.42 -0.08 0.02 0.00 0.00 177.57 178.17 1gtz h GLU 37 N 0.51 0.68 -0.18 1.57 4.81 -0.41 -1.55 114.58 120.02 1gtz h GLU 37 Ca 0.13 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1gtz h GLU 37 Cb 0.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1gtz h GLU 37 CO -0.00 0.45 -0.32 0.00 -0.73 0.00 0.00 179.01 178.40 1gtz h ALA 38 N 1.45 1.12 -0.67 2.92 0.00 -0.76 -0.86 119.26 122.46 1gtz h ALA 38 Ca 0.38 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1gtz h ALA 38 Cb 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1gtz h ALA 38 CO -0.26 0.56 0.43 -0.07 0.00 0.00 0.00 179.25 179.91 1gtz h LEU 39 N 0.31 0.72 -0.12 0.00 3.38 -0.58 -1.84 115.31 117.18 1gtz h LEU 39 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1gtz h LEU 39 Cb 0.73 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1gtz h LEU 39 CO 0.06 0.51 -0.01 0.00 0.09 0.00 0.00 178.44 179.09 1gtz h VAL 41 N -0.06 1.01 -0.18 0.00 2.07 -1.07 -1.00 116.25 117.02 1gtz h VAL 41 Ca 0.03 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1gtz h VAL 41 Cb 0.39 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1gtz h VAL 41 CO 0.01 0.13 -0.07 0.50 0.02 0.00 0.00 177.57 178.16 1gtz h LYS 42 N 0.73 0.36 -0.52 1.57 3.64 -1.24 -1.11 116.57 120.01 1gtz h LYS 42 Ca 0.29 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1gtz h LYS 42 Cb 0.12 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1gtz h LYS 42 CO -0.15 0.65 0.22 0.00 -2.27 0.00 0.00 179.45 177.90 1gtz h ALA 43 N 0.70 0.67 -0.37 5.00 0.00 -1.17 -2.12 119.26 121.97 1gtz h ALA 43 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1gtz h ALA 43 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1gtz h ALA 43 CO 0.02 0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 1gtz h ALA 44 N 1.06 1.23 -0.42 0.00 0.00 -1.10 -2.94 119.26 117.09 1gtz h ALA 44 Ca 0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1gtz h ALA 44 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1gtz h ALA 44 CO -0.02 0.51 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 1gtz h ALA 45 N 1.38 0.95 -0.07 0.00 0.00 -0.56 0.28 119.26 121.24 1gtz h ALA 45 Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1gtz h ALA 45 Cb 0.44 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1gtz h ALA 45 CO 0.02 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.95 1gtz h ALA 46 N 1.14 1.77 -0.06 0.00 0.00 -1.24 0.32 119.26 121.19 1gtz h ALA 46 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gtz h ALA 46 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1gtz h ALA 46 CO 0.04 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.91 1gtz n HIS 47 N -4.06 0.05 -0.76 0.00 8.25 -0.79 -4.94 115.22 112.98 1gtz n HIS 47 Ca -0.01 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1gtz n HIS 47 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 1.31 0.58 1.28 -1.41 0.00 0.10 -4.86 105.19 102.19 1gtz n GLY 48 Ca 0.16 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.61 3.67 3.26 -0.02 0.00 0.92 -4.31 105.19 106.11 1gtz n GLY 49 Ca 0.00 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.43 0.30 0.12 2.61 -4.23 -1.26 -3.35 115.64 108.40 1gtz s THR 50 Ca 0.03 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 1gtz s THR 50 Cb -0.00 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1gtz s THR 50 CO 0.02 -0.02 -0.16 0.68 -0.54 0.00 0.00 174.62 174.61 1gtz s VAL 51 N -3.94 1.43 -0.37 2.29 -7.23 -1.26 -0.90 120.40 110.41 1gtz s VAL 51 Ca 0.38 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 1gtz s VAL 51 Cb 0.07 -1.52 0.11 0.00 0.56 0.00 0.00 36.38 35.61 1gtz s VAL 51 CO 0.13 -0.32 0.14 -0.62 -0.31 0.00 0.00 175.10 174.11 1gtz s ASP 52 N -2.31 4.13 -0.20 4.85 -1.08 -0.73 -4.86 116.67 116.47 1gtz s ASP 52 Ca 0.08 -2.14 -0.09 0.00 -0.52 0.00 0.00 52.55 49.88 1gtz s ASP 52 Cb -0.06 -1.16 -0.05 0.00 -1.46 0.00 0.00 42.92 40.19 1gtz s ASP 52 CO 0.04 -0.35 0.11 0.12 0.52 0.00 0.00 175.17 175.60 1gtz s PHE 53 N 0.95 3.32 -0.05 -5.34 5.36 -1.26 -1.33 117.98 119.62 1gtz s PHE 53 Ca 0.13 0.19 -0.19 0.00 -0.96 0.00 0.00 56.93 56.10 1gtz s PHE 53 Cb -0.20 -2.15 0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1gtz s PHE 53 CO -0.12 0.18 0.43 1.03 -1.46 0.00 0.00 175.22 175.28 1gtz s ARG 54 N 0.51 0.73 0.09 10.12 0.52 -0.42 -4.99 118.95 125.52 1gtz s ARG 54 Ca 0.06 0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1gtz s ARG 54 Cb -0.12 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 1gtz s ARG 54 CO 0.00 -0.19 -0.14 -1.14 0.02 0.00 0.00 175.30 173.84 1gtz s GLN 55 N -0.98 0.90 -0.03 3.54 -0.44 -1.26 -1.44 119.66 119.95 1gtz s GLN 55 Ca -0.10 -1.06 -0.28 0.00 -2.50 0.00 0.00 55.36 51.41 1gtz s GLN 55 Cb -0.04 -0.88 0.06 0.00 -1.64 0.00 0.00 33.01 30.52 1gtz s GLN 55 CO 0.05 0.19 0.63 0.45 0.50 0.00 0.00 175.29 177.10 1gtz s SER 56 N -1.99 -0.60 0.00 6.67 0.15 0.01 -4.97 113.70 112.97 1gtz s SER 56 Ca 0.02 0.59 0.24 0.00 0.70 0.00 0.00 55.95 57.50 1gtz s SER 56 Cb -0.08 0.52 0.65 0.00 -1.71 0.00 0.00 66.02 65.39 1gtz s SER 56 CO 0.03 -0.62 1.51 0.59 1.20 0.00 0.00 173.24 175.95 1gtz n ASN 57 N 0.85 2.26 -4.33 5.45 3.02 -1.26 -2.70 115.26 118.55 1gtz n ASN 57 Ca -0.19 -1.76 -0.36 0.00 -0.03 0.00 0.00 54.58 52.24 1gtz n ASN 57 Cb 0.57 -0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.87 3.02 0.17 3.10 3.76 -1.26 -4.75 115.29 117.46 1gtz s HIS 58 Ca 0.34 -0.89 -0.15 0.00 -0.15 0.00 0.00 55.06 54.21 1gtz s HIS 58 Cb 0.20 -2.15 0.12 0.00 1.11 0.00 0.00 32.58 31.86 1gtz s HIS 58 CO 0.31 -0.53 1.71 1.49 -0.85 0.00 0.00 174.74 176.86 1gtz h GLU 59 N 8.15 0.14 -0.20 1.40 4.81 -2.00 -2.33 114.58 124.55 1gtz h GLU 59 Ca -0.39 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1gtz h GLU 59 Cb 1.15 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1gtz h GLU 59 CO 0.60 0.09 -0.22 0.78 -0.73 0.00 0.00 179.01 179.53 1gtz h GLY 60 N 0.14 0.38 1.07 1.92 0.00 -1.99 -1.64 103.07 102.95 1gtz h GLY 60 Ca 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 1gtz h GLY 60 CO -0.31 0.26 -0.24 -2.09 0.00 0.00 0.00 176.54 174.16 1gtz h GLU 61 N 0.32 0.90 -0.65 4.80 4.81 -1.92 -1.23 114.58 121.61 1gtz h GLU 61 Ca 0.05 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1gtz h GLU 61 Cb 0.57 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1gtz h GLU 61 CO 0.04 1.06 0.41 -0.07 -0.73 0.00 0.00 179.01 179.72 1gtz h LEU 62 N 0.73 0.68 -0.08 1.64 3.38 -1.15 -0.82 115.31 119.68 1gtz h LEU 62 Ca 0.09 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1gtz h LEU 62 Cb 0.82 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1gtz h LEU 62 CO 0.07 0.48 -0.16 0.58 0.09 0.00 0.00 178.44 179.49 1gtz h VAL 63 N 0.81 0.59 -0.96 1.22 2.07 -1.14 -1.78 116.25 117.06 1gtz h VAL 63 Ca 0.26 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.83 1gtz h VAL 63 Cb -0.00 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1gtz h VAL 63 CO -0.09 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.56 1gtz h ASP 64 N -0.22 1.00 0.84 0.57 3.32 -0.37 -1.60 116.42 119.96 1gtz h ASP 64 Ca 0.08 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1gtz h ASP 64 Cb 0.34 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1gtz h ASP 64 CO -0.21 0.66 -0.53 -0.50 -1.72 0.00 0.00 179.24 176.93 1gtz h TRP 65 N 1.15 0.00 -0.51 4.55 6.55 -0.89 -1.45 115.95 125.34 1gtz h TRP 65 Ca 0.40 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 60.17 1gtz h TRP 65 Cb 0.11 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.39 1gtz h TRP 65 CO -0.00 0.53 0.07 0.82 -1.05 0.00 0.00 178.44 178.81 1gtz h ILE 66 N 0.00 1.25 -0.73 1.49 2.04 -0.78 -0.78 117.51 120.00 1gtz h ILE 66 Ca -0.01 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1gtz h ILE 66 Cb 1.10 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1gtz h ILE 66 CO 0.07 0.35 0.44 0.45 0.00 0.00 0.00 178.15 179.45 1gtz h HIS 67 N 0.74 0.96 -0.55 1.37 3.86 -0.66 -1.04 115.15 119.82 1gtz h HIS 67 Ca 0.15 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 1gtz h HIS 67 Cb 0.42 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1gtz h HIS 67 CO 0.03 0.64 -0.03 1.49 0.86 0.00 0.00 177.93 180.92 1gtz h GLU 68 N 1.01 0.96 -0.67 2.45 4.81 -0.93 -2.88 114.58 119.33 1gtz h GLU 68 Ca 0.26 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1gtz h GLU 68 Cb -0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1gtz h GLU 68 CO -0.05 0.97 0.15 0.00 -0.73 0.00 0.00 179.01 179.34 1gtz h ALA 69 N 1.08 1.00 -1.08 2.92 0.00 -0.25 -2.12 119.26 120.80 1gtz h ALA 69 Ca 0.16 -0.25 0.29 0.00 0.00 0.00 0.00 54.91 55.11 1gtz h ALA 69 Cb 0.56 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1gtz h ALA 69 CO 0.03 0.65 0.72 -0.09 0.00 0.00 0.00 179.25 180.55 1gtz h ARG 70 N 1.01 0.28 0.00 0.00 2.43 -0.99 -2.28 114.38 114.83 1gtz h ARG 70 Ca 0.21 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 59.08 1gtz h ARG 70 Cb 0.38 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1gtz h ARG 70 CO 0.00 0.19 -2.18 1.28 -1.51 0.00 0.00 179.97 177.75 1gtz n LEU 71 N -4.54 0.00 0.00 3.80 4.77 -1.02 -4.79 117.00 115.22 1gtz n LEU 71 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1gtz n LEU 71 Cb 0.99 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 42.46 1gtz n LEU 71 CO 0.28 0.38 0.03 0.59 -1.33 0.00 0.00 177.39 177.34 1gtz n ASN 72 N -2.59 0.12 -4.43 -1.43 3.02 -0.83 -5.09 115.26 104.03 1gtz n ASN 72 Ca -0.26 -0.48 -0.22 0.00 -0.03 0.00 0.00 54.58 53.59 1gtz n ASN 72 Cb 1.00 0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 40.72 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 -0.65 1.99 -2.12 3.10 3.76 -0.88 -4.46 115.29 116.03 1gtz s HIS 73 Ca 0.00 -0.63 0.24 0.00 -0.15 0.00 0.00 55.06 54.52 1gtz s HIS 73 Cb 0.00 -1.09 0.30 0.00 1.11 0.00 0.00 32.58 32.90 1gtz s HIS 73 CO 0.00 0.36 1.29 0.00 -0.85 0.00 0.00 174.74 175.54 1gtz n GLY 75 N 1.37 1.39 3.12 0.00 0.00 -1.26 -4.53 105.19 105.28 1gtz n GLY 75 Ca 0.11 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 1.59 -0.27 -0.61 1.01 -0.11 -1.60 121.20 119.21 1gtz s ILE 76 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1gtz s ILE 76 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1gtz s ILE 76 CO 0.00 0.46 0.13 -0.69 0.00 0.00 0.00 174.94 174.84 1gtz s VAL 77 N 0.54 4.80 -0.01 2.92 1.01 -0.42 -1.48 120.40 127.76 1gtz s VAL 77 Ca -0.16 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1gtz s VAL 77 Cb -0.17 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1gtz s VAL 77 CO 0.06 0.27 -0.11 -0.51 0.00 0.00 0.00 175.10 174.81 1gtz s ILE 78 N 1.68 0.88 -0.53 2.22 2.07 0.11 -0.52 121.20 127.11 1gtz s ILE 78 Ca 0.07 -0.46 0.01 0.00 -1.41 0.00 0.00 60.65 58.85 1gtz s ILE 78 Cb -0.16 -0.75 0.14 0.00 0.13 0.00 0.00 42.46 41.82 1gtz s ILE 78 CO 0.07 0.26 0.30 0.21 -1.91 0.00 0.00 174.94 173.87 1gtz s ASN 79 N -0.13 4.83 0.16 4.50 3.84 -0.59 -1.09 114.94 126.47 1gtz s ASN 79 Ca 0.02 -2.74 0.20 0.00 0.21 0.00 0.00 52.86 50.55 1gtz s ASN 79 Cb -0.06 -1.74 0.84 0.00 -0.55 0.00 0.00 41.25 39.74 1gtz s ASN 79 CO -0.00 -0.34 1.62 -2.65 -2.79 0.00 0.00 177.10 172.94 1gtz n PRO 80 N 3.55 0.12 0.00 0.43 -0.02 -1.26 -0.14 135.00 137.68 1gtz n PRO 80 Ca 0.05 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1gtz n PRO 80 Cb 0.36 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 -1.67 0.00 0.28 3.55 0.00 -1.26 -1.83 120.51 119.58 1gtz n ALA 81 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.63 1gtz n ALA 81 Cb 0.21 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.44 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 -0.60 1.06 0.00 0.00 0.00 -1.93 -1.25 119.26 116.54 1gtz h ALA 82 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 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 0.07 -0.06 1.88 0.00 0.00 0.00 179.25 181.14 1gtz h TYR 83 N 0.00 0.00 -0.96 0.00 0.99 -1.75 -2.57 116.97 112.67 1gtz h TYR 83 Ca -0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 1gtz h TYR 83 Cb 0.40 0.00 -0.10 0.00 1.00 0.00 0.00 36.73 38.03 1gtz h TYR 83 CO 0.00 0.06 0.57 0.77 -0.00 0.00 0.00 178.16 179.56 1gtz h SER 84 N 0.00 0.73 1.35 3.88 0.02 -1.26 -1.07 113.55 117.21 1gtz h SER 84 Ca -0.00 0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1gtz h SER 84 Cb 0.45 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1gtz h SER 84 CO 0.01 0.29 -0.65 0.45 -1.14 0.00 0.00 176.83 175.79 1gtz h HIS 85 N 0.76 0.00 0.00 3.45 3.86 -1.63 -0.55 115.15 121.04 1gtz h HIS 85 Ca 0.54 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.62 1gtz h HIS 85 Cb 0.78 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 1gtz h HIS 85 CO -0.03 0.64 -1.49 0.25 0.86 0.00 0.00 177.93 178.16 1gtz n THR 86 N -3.26 0.50 -3.02 2.45 -2.24 -1.09 -4.81 114.28 102.81 1gtz n THR 86 Ca 0.01 -0.27 -0.44 0.00 -2.27 0.00 0.00 64.05 61.08 1gtz n THR 86 Cb 0.79 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 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 -4.15 6.21 0.32 3.42 0.15 -0.42 -4.84 113.70 114.39 1gtz s SER 87 Ca -0.06 -1.34 0.08 0.00 0.70 0.00 0.00 55.95 55.32 1gtz s SER 87 Cb 0.02 -2.34 0.53 0.00 -1.71 0.00 0.00 66.02 62.52 1gtz s SER 87 CO 0.27 -1.21 1.75 0.58 1.20 0.00 0.00 173.24 175.82 1gtz h VAL 88 N 5.91 1.28 -0.66 4.45 2.07 -1.95 -2.98 116.25 124.37 1gtz h VAL 88 Ca -0.26 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1gtz h VAL 88 Cb 1.08 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1gtz h VAL 88 CO 1.12 0.41 0.39 0.00 0.02 0.00 0.00 177.57 179.51 1gtz h ALA 89 N 1.45 0.85 -0.18 1.67 0.00 -1.97 -1.21 119.26 119.86 1gtz h ALA 89 Ca 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1gtz h ALA 89 Cb 0.72 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1gtz h ALA 89 CO 0.05 0.33 -0.05 0.82 0.00 0.00 0.00 179.25 180.40 1gtz h ILE 90 N 0.90 1.29 -0.65 0.00 2.04 -1.89 -1.90 117.51 117.30 1gtz h ILE 90 Ca 0.24 -1.05 0.11 0.00 1.00 0.00 0.00 64.86 65.16 1gtz h ILE 90 Cb -0.01 1.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 1gtz h ILE 90 CO -0.04 0.31 0.24 0.25 0.00 0.00 0.00 178.15 178.91 1gtz h LEU 91 N 0.06 0.22 -0.61 1.44 5.85 -1.39 -1.91 115.31 118.98 1gtz h LEU 91 Ca 0.04 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1gtz h LEU 91 Cb 0.51 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1gtz h LEU 91 CO 0.02 0.12 0.20 0.44 -0.34 0.00 0.00 178.44 178.88 1gtz h ASP 92 N 0.41 0.88 -0.11 1.25 3.32 -1.09 0.32 116.42 121.39 1gtz h ASP 92 Ca 0.34 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1gtz h ASP 92 Cb 0.46 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1gtz h ASP 92 CO -0.34 0.84 -0.14 0.00 -1.72 0.00 0.00 179.24 177.88 1gtz h ALA 93 N 1.07 -0.07 -0.75 3.45 0.00 -1.13 -2.51 119.26 119.32 1gtz h ALA 93 Ca 0.20 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1gtz h ALA 93 Cb 0.28 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1gtz h ALA 93 CO -0.01 -0.60 0.49 -0.07 0.00 0.00 0.00 179.25 179.07 1gtz h LEU 94 N -0.18 0.64 -1.92 0.00 3.38 -1.07 -2.29 115.31 113.86 1gtz h LEU 94 Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1gtz h LEU 94 Cb 0.30 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1gtz h LEU 94 CO -0.22 0.40 -0.10 0.78 0.09 0.00 0.00 178.44 179.39 1gtz h ASN 95 N 0.72 0.00 1.00 -0.43 -0.26 -0.50 -2.64 115.58 113.47 1gtz h ASN 95 Ca 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 1gtz h ASN 95 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1gtz h ASN 95 CO -0.12 0.10 0.00 0.35 -1.06 0.00 0.00 177.43 176.70 1gtz n THR 96 N -3.50 0.24 -2.71 2.81 -2.24 -0.86 -4.44 114.28 103.59 1gtz n THR 96 Ca -0.01 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1gtz n THR 96 Cb 0.24 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1gtz n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gtz n ASP 98 N 3.37 2.53 0.00 0.00 2.03 -1.26 -2.67 116.55 120.55 1gtz n ASP 98 Ca 0.34 0.35 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1gtz n ASP 98 Cb 0.37 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 6.25 0.95 3.70 0.27 0.00 -1.26 -5.01 105.19 110.10 1gtz n GLY 99 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 4.32 0.25 0.99 2.96 -1.09 -4.96 118.68 121.15 1gtz s LEU 100 Ca 0.00 1.74 -0.31 0.00 -0.22 0.00 0.00 54.13 55.34 1gtz s LEU 100 Cb 0.00 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 1gtz s LEU 100 CO 0.00 -0.42 1.61 -2.84 -1.32 0.00 0.00 176.35 173.38 1gtz s PRO 101 N 1.52 4.15 -0.04 0.98 0.02 -1.26 -4.92 135.00 135.45 1gtz s PRO 101 Ca 0.53 2.54 0.01 0.00 0.02 0.00 0.00 61.00 64.11 1gtz s PRO 101 Cb -0.23 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.25 1gtz s PRO 101 CO 0.25 -0.64 -0.06 0.08 -0.33 0.00 0.00 177.00 176.30 1gtz s VAL 102 N 0.45 0.58 -0.16 3.83 1.01 -1.26 -0.94 120.40 123.91 1gtz s VAL 102 Ca 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1gtz s VAL 102 Cb -0.47 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1gtz s VAL 102 CO 0.41 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1gtz s VAL 103 N 0.69 1.39 0.13 2.92 1.01 -0.55 0.10 120.40 126.10 1gtz s VAL 103 Ca -0.10 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1gtz s VAL 103 Cb -0.13 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 1gtz s VAL 103 CO 0.00 0.27 0.66 -0.70 0.00 0.00 0.00 175.10 175.33 1gtz s GLU 104 N 1.53 4.32 -0.05 2.72 2.12 -0.49 -0.72 118.70 128.14 1gtz s GLU 104 Ca 0.02 0.88 0.02 0.00 0.36 0.00 0.00 54.97 56.25 1gtz s GLU 104 Cb -0.14 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1gtz s GLU 104 CO -0.09 0.57 -0.07 0.08 -0.54 0.00 0.00 175.26 175.21 1gtz s VAL 105 N -1.21 0.72 -0.14 3.70 1.01 -0.25 -0.53 120.40 123.69 1gtz s VAL 105 Ca 0.34 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1gtz s VAL 105 Cb -0.20 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1gtz s VAL 105 CO 0.22 0.26 -0.18 -1.00 0.00 0.00 0.00 175.10 174.39 1gtz s HIS 106 N 0.71 2.73 0.07 5.22 3.76 0.16 -4.07 115.29 123.87 1gtz s HIS 106 Ca -0.11 -1.13 -0.26 0.00 -0.15 0.00 0.00 55.06 53.41 1gtz s HIS 106 Cb -0.14 -1.85 -0.17 0.00 1.11 0.00 0.00 32.58 31.54 1gtz s HIS 106 CO 0.01 -0.51 1.61 0.82 -0.85 0.00 0.00 174.74 175.83 1gtz h ILE 107 N 5.71 0.80 -3.95 0.60 2.04 -1.86 -2.08 117.51 118.76 1gtz h ILE 107 Ca -0.31 -0.16 -0.49 0.00 1.00 0.00 0.00 64.86 64.90 1gtz h ILE 107 Cb 1.19 0.89 0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1gtz h ILE 107 CO 0.56 0.04 0.26 -0.94 0.00 0.00 0.00 178.15 178.06 1gtz s SER 108 N -4.98 5.96 -0.90 1.72 1.04 -1.26 -2.29 113.70 112.98 1gtz s SER 108 Ca -0.15 1.04 -0.24 0.00 0.48 0.00 0.00 55.95 57.09 1gtz s SER 108 Cb 0.04 -2.12 0.06 0.00 0.10 0.00 0.00 66.02 64.10 1gtz s SER 108 CO 0.64 -0.90 1.33 0.21 0.98 0.00 0.00 173.24 175.50 1gtz s ASN 109 N -4.22 6.39 0.53 7.02 3.84 -1.26 -2.17 114.94 125.08 1gtz s ASN 109 Ca 0.53 -1.20 0.22 0.00 0.21 0.00 0.00 52.86 52.61 1gtz s ASN 109 Cb -0.11 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.49 1gtz s ASN 109 CO 0.49 -1.55 2.15 0.16 -2.79 0.00 0.00 177.10 175.55 1gtz h ILE 110 N 6.41 0.80 0.00 -5.21 3.07 -1.92 -1.20 117.51 119.47 1gtz h ILE 110 Ca 0.02 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1gtz h ILE 110 Cb 1.03 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1gtz h ILE 110 CO 1.33 0.05 0.00 1.41 -1.05 0.00 0.00 178.15 179.89 1gtz n HIS 111 N -4.14 0.00 0.63 0.16 8.25 -1.26 -1.59 115.22 117.27 1gtz n HIS 111 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1gtz n HIS 111 Cb 0.14 -0.47 0.03 0.00 1.12 0.00 0.00 29.99 30.81 1gtz n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1gtz n GLN 112 N -1.47 1.40 -0.33 -0.41 6.02 -0.45 -4.99 117.38 117.15 1gtz n GLN 112 Ca 0.02 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 1gtz n GLN 112 Cb 0.07 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 0.41 2.22 -1.33 -1.09 1.74 -0.62 -5.07 116.66 112.92 1gtz n ARG 113 Ca 0.08 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.83 1gtz n ARG 113 Cb 0.34 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.88 1gtz n ARG 113 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1gtz s GLU 114 N 1.15 2.06 0.55 5.56 8.01 -1.26 -4.90 118.70 129.87 1gtz s GLU 114 Ca 0.00 1.57 0.28 0.00 0.01 0.00 0.00 54.97 56.83 1gtz s GLU 114 Cb 0.00 -1.84 1.62 0.00 -4.31 0.00 0.00 34.13 29.60 1gtz s GLU 114 CO 0.00 -1.85 2.16 -1.35 0.01 0.00 0.00 175.26 174.23 1gtz h PRO 115 N -0.65 0.00 0.00 0.39 0.11 -1.97 0.25 132.00 130.14 1gtz h PRO 115 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1gtz h PRO 115 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1gtz h PRO 115 CO 0.49 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 1gtz h PHE 116 N 0.00 0.00 -0.00 0.65 -5.15 -1.97 -1.77 116.94 108.69 1gtz h PHE 116 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1gtz h PHE 116 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.33 1gtz h PHE 116 CO 0.00 0.00 -0.31 0.54 -2.00 0.00 0.00 178.31 176.54 1gtz n ARG 117 N -2.94 0.32 0.20 6.09 1.74 0.89 -4.26 116.66 118.70 1gtz n ARG 117 Ca 0.01 -0.16 0.03 0.00 -0.77 0.00 0.00 57.85 56.96 1gtz n ARG 117 Cb 0.30 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.39 0.00 -3.29 -1.55 3.86 -1.36 -3.44 115.15 109.75 1gtz h HIS 118 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1gtz h HIS 118 Cb 0.48 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.77 1gtz h HIS 118 CO 0.00 0.32 -0.62 -1.58 0.86 0.00 0.00 177.93 176.91 1gtz s HIS 119 N -4.29 3.15 -0.09 2.45 5.65 -1.26 -4.90 115.29 116.00 1gtz s HIS 119 Ca -0.03 0.01 0.04 0.00 0.25 0.00 0.00 55.06 55.32 1gtz s HIS 119 Cb 0.15 -1.92 0.00 0.00 -1.18 0.00 0.00 32.58 29.62 1gtz s HIS 119 CO 0.71 0.22 -0.22 0.45 -0.65 0.00 0.00 174.74 175.26 1gtz s SER 120 N -0.14 2.83 0.23 9.88 0.15 -1.26 -4.22 113.70 121.16 1gtz s SER 120 Ca 0.05 -0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.11 1gtz s SER 120 Cb -0.13 -1.23 0.21 0.00 -1.71 0.00 0.00 66.02 63.17 1gtz s SER 120 CO 0.02 0.15 1.90 1.88 1.20 0.00 0.00 173.24 178.38 1gtz h TYR 121 N 6.68 1.08 -0.68 3.44 -1.99 -1.41 -3.04 116.97 121.06 1gtz h TYR 121 Ca -0.23 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.52 1gtz h TYR 121 Cb 1.22 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 39.56 1gtz h TYR 121 CO 0.47 0.67 0.40 0.28 -0.00 0.00 0.00 178.16 179.98 1gtz h VAL 122 N 1.16 1.19 -0.12 -2.88 2.07 -1.86 -2.90 116.25 112.90 1gtz h VAL 122 Ca 0.32 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1gtz h VAL 122 Cb -0.11 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1gtz h VAL 122 CO -0.08 0.20 0.17 0.77 0.02 0.00 0.00 177.57 178.65 1gtz h SER 123 N 0.93 0.00 1.36 0.57 4.64 -1.89 -0.87 113.55 118.29 1gtz h SER 123 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1gtz h SER 123 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1gtz h SER 123 CO -0.04 0.00 -0.01 1.56 -0.87 0.00 0.00 176.83 177.46 1gtz h GLN 124 N 0.00 0.00 0.00 4.77 1.08 -1.67 -3.29 115.11 116.00 1gtz h GLN 124 Ca 0.06 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.93 1gtz h GLN 124 Cb 0.40 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.77 1gtz h GLN 124 CO -0.00 0.01 -2.19 -2.13 -0.95 0.00 0.00 178.83 173.57 1gtz n ARG 125 N -3.11 0.51 -1.51 1.46 3.00 -0.52 -5.02 116.66 111.47 1gtz n ARG 125 Ca 0.02 0.14 -0.42 0.00 -0.00 0.00 0.00 57.85 57.58 1gtz n ARG 125 Cb 0.39 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.47 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 -3.30 -1.01 -0.08 5.13 0.00 -0.45 -4.90 120.51 115.90 1gtz n ALA 126 Ca -0.38 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1gtz n ALA 126 Cb 0.87 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 1.12 0.51 -4.61 0.00 3.32 -0.68 -3.46 116.42 112.63 1gtz h ASP 127 Ca -0.41 -0.43 -0.32 0.00 0.02 0.00 0.00 57.03 55.90 1gtz h ASP 127 Cb 1.38 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.57 1gtz h ASP 127 CO 0.54 0.82 -0.75 -0.83 -1.72 0.00 0.00 179.24 177.31 1gtz s GLY 128 N -3.41 0.58 -0.08 2.75 0.00 -1.21 -5.05 107.32 100.89 1gtz s GLY 128 Ca -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1gtz s GLY 128 CO 0.77 -0.81 -0.11 0.14 0.00 0.00 0.00 173.10 173.09 1gtz s VAL 129 N -1.23 1.11 -0.12 1.40 1.01 -1.26 -1.40 120.40 119.92 1gtz s VAL 129 Ca -0.07 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1gtz s VAL 129 Cb -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1gtz s VAL 129 CO 0.01 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.60 1gtz s VAL 130 N 1.00 1.68 0.01 2.92 1.01 0.31 -5.00 120.40 122.32 1gtz s VAL 130 Ca -0.08 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1gtz s VAL 130 Cb -0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1gtz s VAL 130 CO -0.00 0.48 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 1gtz s ALA 131 N 0.89 0.65 -0.91 5.51 0.00 -1.26 -0.66 121.76 125.98 1gtz s ALA 131 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1gtz s ALA 131 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1gtz s ALA 131 CO -0.01 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1gtz n GLY 132 N 2.60 1.03 1.52 0.00 0.00 -0.78 -4.75 105.19 104.81 1gtz n GLY 132 Ca -0.15 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.89 0.85 0.23 0.00 0.00 -0.97 -2.58 105.19 101.83 1gtz n GLY 134 Ca 0.39 -0.78 0.16 0.00 0.00 0.00 0.00 46.02 45.79 1gtz n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gtz h VAL 135 N 0.00 0.00 -0.09 1.61 -1.51 -1.90 -1.76 116.25 112.61 1gtz h VAL 135 Ca 0.00 -0.24 0.03 0.00 -1.23 0.00 0.00 66.70 65.25 1gtz h VAL 135 Cb 0.00 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1gtz h VAL 135 CO 0.00 0.00 0.10 -0.61 -1.23 0.00 0.00 177.57 175.83 1gtz h GLN 136 N 0.00 0.00 0.00 5.19 4.15 -1.96 -0.75 115.11 121.74 1gtz h GLN 136 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1gtz h GLN 136 Cb 0.28 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1gtz h GLN 136 CO 0.00 0.00 -0.08 0.78 -1.93 0.00 0.00 178.83 177.60 1gtz h GLY 137 N 0.00 0.00 1.43 2.39 0.00 -1.04 -0.36 103.07 105.49 1gtz h GLY 137 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 1gtz h GLY 137 CO -0.00 0.00 -0.36 -0.97 0.00 0.00 0.00 176.54 175.21 1gtz h TYR 138 N 0.00 0.74 -0.64 5.60 -1.99 -1.32 -1.30 116.97 118.06 1gtz h TYR 138 Ca -0.00 -0.20 -0.06 0.00 2.00 0.00 0.00 58.73 60.46 1gtz h TYR 138 Cb 0.16 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 1gtz h TYR 138 CO 0.00 0.90 0.15 0.28 -0.00 0.00 0.00 178.16 179.49 1gtz h VAL 139 N 0.53 1.25 -0.75 -2.88 2.07 -1.19 -1.64 116.25 113.63 1gtz h VAL 139 Ca 0.05 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.71 1gtz h VAL 139 Cb 0.87 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1gtz h VAL 139 CO 0.07 0.35 0.44 -0.26 0.02 0.00 0.00 177.57 178.20 1gtz h PHE 140 N 0.96 0.81 0.71 1.57 0.05 -1.24 0.02 116.94 119.82 1gtz h PHE 140 Ca 0.20 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.99 1gtz h PHE 140 Cb 0.35 -0.26 0.01 0.00 2.00 0.00 0.00 35.95 38.05 1gtz h PHE 140 CO 0.02 0.40 -0.35 0.78 -0.18 0.00 0.00 178.31 178.98 1gtz h GLY 141 N 0.81 -1.02 0.05 -1.45 0.00 -0.90 0.57 103.07 101.14 1gtz h GLY 141 Ca 0.34 0.38 0.09 0.00 0.00 0.00 0.00 47.33 48.14 1gtz h GLY 141 CO -0.18 -0.37 -0.16 -2.08 0.00 0.00 0.00 176.54 173.75 1gtz h VAL 142 N -0.97 0.48 -1.01 4.60 2.07 -0.83 -1.85 116.25 118.74 1gtz h VAL 142 Ca -0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1gtz h VAL 142 Cb 0.75 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1gtz h VAL 142 CO 0.15 0.00 0.66 -0.33 0.02 0.00 0.00 177.57 178.07 1gtz h GLU 143 N -0.07 1.25 -0.30 1.57 5.08 -0.64 0.05 114.58 121.52 1gtz h GLU 143 Ca 0.21 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1gtz h GLU 143 Cb 0.38 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1gtz h GLU 143 CO -0.48 0.82 -0.37 -0.09 -1.00 0.00 0.00 179.01 177.90 1gtz h ARG 144 N 1.28 0.69 -0.21 2.33 9.65 -0.49 -2.05 114.38 125.59 1gtz h ARG 144 Ca 0.40 -0.34 -0.14 0.00 -1.10 0.00 0.00 59.98 58.80 1gtz h ARG 144 Cb -0.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1gtz h ARG 144 CO -0.12 0.95 -0.44 0.82 2.80 0.00 0.00 179.97 183.98 1gtz h ILE 145 N 0.57 1.31 -0.35 1.20 1.08 -0.91 -1.21 117.51 119.20 1gtz h ILE 145 Ca 0.05 -1.63 -0.04 0.00 -0.39 0.00 0.00 64.86 62.86 1gtz h ILE 145 Cb 0.90 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 1gtz h ILE 145 CO 0.08 0.51 0.06 0.00 -0.69 0.00 0.00 178.15 178.11 1gtz h ALA 146 N 1.10 1.46 -0.22 1.87 0.00 -0.77 0.76 119.26 123.46 1gtz h ALA 146 Ca 0.03 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1gtz h ALA 146 Cb 0.94 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1gtz h ALA 146 CO 0.08 0.39 -0.66 0.00 0.00 0.00 0.00 179.25 179.07 1gtz h ALA 147 N 1.57 0.41 -0.05 0.00 0.00 -0.64 -2.86 119.26 117.68 1gtz h ALA 147 Ca 0.12 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1gtz h ALA 147 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1gtz h ALA 147 CO 0.00 0.69 -0.65 -0.07 0.00 0.00 0.00 179.25 179.22 1gtz h LEU 148 N 0.60 0.22 -0.14 0.00 3.38 -0.67 -3.27 115.31 115.42 1gtz h LEU 148 Ca -0.02 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.61 1gtz h LEU 148 Cb 1.27 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1gtz h LEU 148 CO 0.14 0.81 -0.71 0.00 0.09 0.00 0.00 178.44 178.76 1gtz h ALA 149 N 1.19 0.28 0.00 1.53 0.00 -0.89 -3.49 119.26 117.88 1gtz h ALA 149 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1gtz h ALA 149 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1gtz h ALA 149 CO 0.10 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.37