#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 4.83 0.38 0.55 1.04 -1.26 -4.76 113.70 114.47 1gtz s SER 3 Ca 0.00 0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.64 1gtz s SER 3 Cb 0.00 -0.80 0.74 0.00 0.10 0.00 0.00 66.02 66.07 1gtz s SER 3 CO 0.00 -1.52 1.91 -0.07 0.98 0.00 0.00 173.24 174.53 1gtz h LEU 4 N -0.38 0.29 -1.13 2.42 4.07 -1.87 -2.29 115.31 116.41 1gtz h LEU 4 Ca -0.42 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.41 1gtz h LEU 4 Cb 1.30 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1gtz h LEU 4 CO 0.53 0.42 -0.32 0.00 -1.08 0.00 0.00 178.44 177.99 1gtz h ALA 5 N 1.61 1.08 0.00 1.53 0.00 -1.89 -3.25 119.26 118.35 1gtz h ALA 5 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1gtz h ALA 5 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gtz h ALA 5 CO 0.02 0.41 -1.12 0.09 0.00 0.00 0.00 179.25 178.65 1gtz n ASN 6 N -3.60 0.86 -3.56 0.00 5.03 -0.89 -4.99 115.26 108.10 1gtz n ASN 6 Ca -0.01 -0.85 -0.17 0.00 0.87 0.00 0.00 54.58 54.42 1gtz n ASN 6 Cb 0.45 1.11 -0.06 0.00 -1.02 0.00 0.00 39.78 40.25 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 -3.07 -1.60 0.62 5.41 0.00 -1.02 -4.97 121.76 117.14 1gtz s ALA 7 Ca 0.06 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.02 1gtz s ALA 7 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1gtz s ALA 7 CO 0.87 -0.35 1.06 -1.25 0.00 0.00 0.00 175.76 176.09 1gtz s PRO 8 N -1.23 3.19 -0.03 0.00 0.04 -1.26 -4.35 135.00 131.35 1gtz s PRO 8 Ca -0.11 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.84 1gtz s PRO 8 Cb -0.01 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1gtz s PRO 8 CO 0.09 -0.91 0.80 0.42 0.04 0.00 0.00 177.00 177.44 1gtz s ILE 9 N -2.57 4.95 -0.14 0.56 1.01 -0.13 -1.61 121.20 123.27 1gtz s ILE 9 Ca 0.63 1.68 -0.26 0.00 0.00 0.00 0.00 60.65 62.70 1gtz s ILE 9 Cb -0.16 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1gtz s ILE 9 CO 0.41 0.23 0.83 -0.32 0.00 0.00 0.00 174.94 176.09 1gtz s MET 10 N 0.77 4.34 -0.31 2.79 -2.45 -0.26 -0.69 119.30 123.50 1gtz s MET 10 Ca 0.43 1.04 -0.03 0.00 -1.25 0.00 0.00 55.69 55.87 1gtz s MET 10 Cb -0.19 -3.55 0.04 0.00 1.25 0.00 0.00 34.83 32.38 1gtz s MET 10 CO 0.22 -0.25 0.03 0.42 1.05 0.00 0.00 175.02 176.49 1gtz s ILE 11 N 1.87 3.24 0.01 10.11 -1.09 -0.35 -0.67 121.20 134.32 1gtz s ILE 11 Ca 0.40 -1.25 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 1gtz s ILE 11 Cb -0.17 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 1gtz s ILE 11 CO 0.14 -0.09 -0.05 -0.76 -1.23 0.00 0.00 174.94 172.96 1gtz s LEU 12 N 1.31 3.25 -0.05 2.97 1.43 0.00 -0.58 118.68 127.01 1gtz s LEU 12 Ca -0.03 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1gtz s LEU 12 Cb -0.19 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1gtz s LEU 12 CO -0.00 0.28 0.01 0.20 0.23 0.00 0.00 176.35 177.06 1gtz s ASN 13 N -1.49 1.10 0.70 2.29 0.01 -0.78 -1.55 114.94 115.21 1gtz s ASN 13 Ca 0.18 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1gtz s ASN 13 Cb -0.11 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.23 1gtz s ASN 13 CO 0.09 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 1gtz n GLY 14 N 4.78 -0.88 3.67 0.66 0.00 0.15 -0.98 105.19 112.58 1gtz n GLY 14 Ca -0.14 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1gtz n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gtz n PRO 15 N -0.73 1.06 0.00 1.61 -0.04 -1.02 -3.02 135.00 132.86 1gtz n PRO 15 Ca 0.00 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1gtz n PRO 15 Cb 0.00 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1gtz n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gtz n ASN 16 N -1.15 0.00 0.22 3.54 3.02 -1.26 -4.51 115.26 115.11 1gtz n ASN 16 Ca 0.14 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.83 1gtz n ASN 16 Cb 0.47 -0.30 0.77 0.00 -0.61 0.00 0.00 39.78 40.11 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 -1.64 3.41 3.38 -1.91 -1.78 115.31 116.78 1gtz h LEU 17 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 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 0.25 -0.55 0.09 0.00 0.00 178.44 178.23 1gtz h ASN 18 N 0.00 0.42 -0.38 -0.43 -1.07 -1.89 -1.99 115.58 110.25 1gtz h ASN 18 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1gtz h ASN 18 Cb 0.03 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 1gtz h ASN 18 CO 0.00 0.31 0.00 0.18 0.07 0.00 0.00 177.43 177.99 1gtz n LEU 19 N -4.48 2.95 -4.75 6.14 4.77 -0.67 -4.83 117.00 116.13 1gtz n LEU 19 Ca 0.03 -1.49 -0.41 0.00 -0.03 0.00 0.00 56.01 54.11 1gtz n LEU 19 Cb 0.07 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1gtz n LEU 19 CO 0.35 0.52 1.18 -0.22 -1.33 0.00 0.00 177.39 177.89 1gtz s LEU 20 N -1.27 4.35 0.00 2.23 2.96 -0.75 -0.74 118.68 125.46 1gtz s LEU 20 Ca 0.30 2.88 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 1gtz s LEU 20 Cb 0.19 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.24 1gtz s LEU 20 CO 0.14 -0.84 0.00 0.61 -1.32 0.00 0.00 176.35 174.95 1gtz n GLY 21 N 1.82 3.21 0.10 7.98 0.00 -1.16 -3.95 105.19 113.19 1gtz n GLY 21 Ca 0.06 0.00 -0.12 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 -1.61 0.78 -4.98 1.61 6.02 0.08 -4.68 117.38 114.60 1gtz n GLN 22 Ca 0.00 0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 1gtz n GLN 22 Cb 0.00 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.63 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 -2.47 2.53 -1.22 -1.58 0.00 -0.77 -4.78 121.76 113.47 1gtz s ALA 23 Ca -0.18 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 1gtz s ALA 23 Cb 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1gtz s ALA 23 CO 0.71 0.50 0.68 1.04 0.00 0.00 0.00 175.76 178.69 1gtz n GLN 24 N 2.52 -1.29 0.27 0.00 6.02 -1.26 -4.75 117.38 118.90 1gtz n GLN 24 Ca -0.17 0.33 0.16 0.00 -0.01 0.00 0.00 57.00 57.31 1gtz n GLN 24 Cb 0.52 -3.75 0.73 0.00 1.02 0.00 0.00 30.24 28.77 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 -2.08 0.00 0.00 -1.09 0.13 -1.86 0.18 132.00 127.27 1gtz h PRO 25 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1gtz h PRO 25 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1gtz h PRO 25 CO 0.52 0.07 0.00 1.05 -0.23 0.00 0.00 178.00 179.41 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.88 0.89 114.58 123.55 1gtz h GLU 26 Ca -0.00 0.00 -0.40 0.00 0.05 0.00 0.00 59.36 59.01 1gtz h GLU 26 Cb 0.44 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.48 1gtz h GLU 26 CO 0.01 0.00 -2.37 -0.89 0.05 0.00 0.00 179.01 175.81 1gtz n ILE 27 N -2.47 1.35 0.11 -1.06 5.41 -0.07 -4.76 119.36 117.88 1gtz n ILE 27 Ca 0.04 -0.38 0.06 0.00 1.00 0.00 0.00 62.75 63.46 1gtz n ILE 27 Cb 0.36 -1.72 0.11 0.00 -0.71 0.00 0.00 39.64 37.68 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 -3.89 0.26 0.00 1.39 4.02 -0.50 -4.69 117.16 113.75 1gtz n TYR 28 Ca -0.47 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.14 1gtz n TYR 28 Cb 0.87 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 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 0.58 -1.15 0.55 2.72 0.00 0.31 -4.77 105.19 103.42 1gtz n GLY 29 Ca 0.10 -1.60 0.09 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.09 2.09 -4.77 1.61 7.64 -1.26 -3.87 113.62 113.97 1gtz n SER 30 Ca 0.00 -1.54 -0.39 0.00 1.01 0.00 0.00 58.87 57.95 1gtz n SER 30 Cb 0.00 0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.83 6.85 0.62 6.43 1.01 -1.26 -4.64 116.67 123.85 1gtz s ASP 31 Ca 0.18 2.25 -0.01 0.00 0.71 0.00 0.00 52.55 55.67 1gtz s ASP 31 Cb 0.15 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.52 1gtz s ASP 31 CO 0.35 -0.44 0.87 0.42 0.21 0.00 0.00 175.17 176.59 1gtz s THR 32 N -1.39 2.48 0.31 -1.27 -4.23 -1.26 -3.01 115.64 107.28 1gtz s THR 32 Ca 0.53 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1gtz s THR 32 Cb -0.29 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 70.81 1gtz s THR 32 CO 0.37 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.60 1gtz h LEU 33 N -0.20 0.74 -0.77 4.79 5.85 -1.83 -0.58 115.31 123.32 1gtz h LEU 33 Ca -0.42 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1gtz h LEU 33 Cb 1.30 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1gtz h LEU 33 CO 0.53 0.65 0.36 0.00 -0.34 0.00 0.00 178.44 179.64 1gtz h ALA 34 N 1.46 0.99 -0.66 1.25 0.00 -1.94 -0.52 119.26 119.84 1gtz h ALA 34 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1gtz h ALA 34 Cb 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1gtz h ALA 34 CO -0.02 0.56 0.41 -0.44 0.00 0.00 0.00 179.25 179.75 1gtz h ASP 35 N 1.08 0.66 -0.45 0.00 3.32 -1.70 -1.51 116.42 117.82 1gtz h ASP 35 Ca 0.26 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 1gtz h ASP 35 Cb 0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1gtz h ASP 35 CO -0.03 0.45 0.26 0.58 -1.72 0.00 0.00 179.24 178.78 1gtz h VAL 36 N 0.79 1.15 -0.68 -1.35 2.07 -0.75 -1.66 116.25 115.81 1gtz h VAL 36 Ca 0.27 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1gtz h VAL 36 Cb 0.05 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1gtz h VAL 36 CO -0.12 0.15 0.35 -0.08 0.02 0.00 0.00 177.57 177.89 1gtz h GLU 37 N 0.59 0.60 -0.92 1.57 4.81 -0.87 -1.49 114.58 118.87 1gtz h GLU 37 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1gtz h GLU 37 Cb 0.02 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1gtz h GLU 37 CO -0.03 0.40 0.53 0.00 -0.73 0.00 0.00 179.01 179.18 1gtz h ALA 38 N 1.39 1.20 -0.79 2.92 0.00 -1.10 -0.90 119.26 121.98 1gtz h ALA 38 Ca 0.32 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1gtz h ALA 38 Cb 0.30 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1gtz h ALA 38 CO -0.24 0.66 0.35 -0.07 0.00 0.00 0.00 179.25 179.95 1gtz h LEU 39 N 1.27 1.05 -0.14 0.00 3.38 -0.32 -1.71 115.31 118.85 1gtz h LEU 39 Ca 0.33 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1gtz h LEU 39 Cb -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1gtz h LEU 39 CO -0.06 0.90 -0.05 0.00 0.09 0.00 0.00 178.44 179.32 1gtz h VAL 41 N -0.06 0.87 -0.43 0.00 2.07 -1.06 -0.96 116.25 116.69 1gtz h VAL 41 Ca 0.03 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1gtz h VAL 41 Cb 0.51 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1gtz h VAL 41 CO 0.02 0.08 0.03 0.50 0.02 0.00 0.00 177.57 178.22 1gtz h LYS 42 N 0.46 0.74 -0.29 1.57 3.64 -1.26 -0.09 116.57 121.34 1gtz h LYS 42 Ca 0.26 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1gtz h LYS 42 Cb 0.25 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1gtz h LYS 42 CO -0.23 0.80 -0.32 0.00 -2.27 0.00 0.00 179.45 177.43 1gtz h ALA 43 N 0.91 0.90 -0.29 5.00 0.00 -1.09 -2.51 119.26 122.19 1gtz h ALA 43 Ca 0.13 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1gtz h ALA 43 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1gtz h ALA 43 CO 0.02 0.62 -0.37 0.00 0.00 0.00 0.00 179.25 179.52 1gtz h ALA 44 N 1.12 0.81 -0.89 0.00 0.00 -1.01 -3.01 119.26 116.29 1gtz h ALA 44 Ca 0.06 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1gtz h ALA 44 Cb 0.80 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1gtz h ALA 44 CO 0.07 0.65 0.56 0.00 0.00 0.00 0.00 179.25 180.52 1gtz h ALA 45 N 1.04 1.20 0.00 0.00 0.00 -0.70 0.14 119.26 120.95 1gtz h ALA 45 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gtz h ALA 45 Cb 0.89 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1gtz h ALA 45 CO 0.08 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1gtz n ALA 46 N -2.35 1.19 -0.10 0.00 0.00 -0.97 -1.65 120.51 116.63 1gtz n ALA 46 Ca 0.12 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.75 1gtz n ALA 46 Cb 0.15 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 18.47 1gtz n ALA 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1gtz n HIS 47 N -2.08 0.41 -1.53 0.00 8.25 -0.70 -4.95 115.22 114.60 1gtz n HIS 47 Ca -0.00 -0.44 -0.05 0.00 -0.26 0.00 0.00 57.72 56.96 1gtz n HIS 47 Cb 0.07 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 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 0.51 0.53 3.80 -1.41 0.00 -0.66 -4.84 105.19 103.13 1gtz n GLY 48 Ca 0.11 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1gtz n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gtz s GLY 49 N -2.87 2.91 0.22 -0.02 0.00 0.42 -4.35 107.32 103.63 1gtz s GLY 49 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.28 1gtz s GLY 49 CO 0.00 -2.15 0.02 -0.51 0.00 0.00 0.00 173.10 170.46 1gtz s THR 50 N -2.86 0.85 0.20 0.90 -4.23 -1.26 -3.55 115.64 105.68 1gtz s THR 50 Ca 0.11 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1gtz s THR 50 Cb 0.00 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 1gtz s THR 50 CO 0.06 -0.30 -0.16 0.68 -0.54 0.00 0.00 174.62 174.36 1gtz s VAL 51 N -3.55 1.87 -0.34 2.29 -7.23 -1.26 -0.96 120.40 111.22 1gtz s VAL 51 Ca 0.29 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1gtz s VAL 51 Cb 0.06 -2.01 0.11 0.00 0.56 0.00 0.00 36.38 35.10 1gtz s VAL 51 CO 0.08 -0.47 0.11 -0.62 -0.31 0.00 0.00 175.10 173.89 1gtz s ASP 52 N -3.12 4.14 -0.25 4.85 -1.08 0.13 -4.84 116.67 116.50 1gtz s ASP 52 Ca 0.21 -1.94 -0.10 0.00 -0.52 0.00 0.00 52.55 50.20 1gtz s ASP 52 Cb -0.03 -1.08 -0.05 0.00 -1.46 0.00 0.00 42.92 40.31 1gtz s ASP 52 CO 0.08 -0.38 0.16 0.12 0.52 0.00 0.00 175.17 175.67 1gtz s PHE 53 N 1.22 3.25 0.05 -5.34 5.36 -1.26 -1.21 117.98 120.05 1gtz s PHE 53 Ca 0.11 0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 1gtz s PHE 53 Cb -0.19 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1gtz s PHE 53 CO -0.17 -0.06 -0.05 1.03 -1.46 0.00 0.00 175.22 174.52 1gtz s ARG 54 N 1.35 0.59 0.01 10.12 0.52 0.25 -4.99 118.95 126.79 1gtz s ARG 54 Ca 0.07 -1.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 1gtz s ARG 54 Cb -0.15 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.31 1gtz s ARG 54 CO 0.07 -0.04 -0.04 -1.14 0.02 0.00 0.00 175.30 174.16 1gtz s GLN 55 N -2.95 0.32 -0.09 3.54 -0.44 -1.26 -1.87 119.66 116.92 1gtz s GLN 55 Ca 0.00 -0.27 -0.21 0.00 -2.50 0.00 0.00 55.36 52.39 1gtz s GLN 55 Cb 0.00 -0.24 0.05 0.00 -1.64 0.00 0.00 33.01 31.18 1gtz s GLN 55 CO -0.05 0.06 0.49 0.45 0.50 0.00 0.00 175.29 176.74 1gtz s SER 56 N -0.44 -0.45 0.08 6.67 0.15 -0.15 -4.96 113.70 114.60 1gtz s SER 56 Ca -0.02 0.60 0.27 0.00 0.70 0.00 0.00 55.95 57.50 1gtz s SER 56 Cb -0.03 0.63 0.87 0.00 -1.71 0.00 0.00 66.02 65.78 1gtz s SER 56 CO -0.00 -0.40 1.72 0.59 1.20 0.00 0.00 173.24 176.35 1gtz n ASN 57 N 1.70 0.42 -4.49 5.45 3.02 -1.26 -2.42 115.26 117.67 1gtz n ASN 57 Ca -0.18 0.35 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 1gtz n ASN 57 Cb 0.56 -0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 39.23 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 -3.05 3.12 0.22 3.10 3.76 -1.26 -4.72 115.29 116.47 1gtz s HIS 58 Ca 0.11 -0.28 -0.08 0.00 -0.15 0.00 0.00 55.06 54.67 1gtz s HIS 58 Cb 0.16 -2.23 0.22 0.00 1.11 0.00 0.00 32.58 31.84 1gtz s HIS 58 CO 0.60 -0.25 1.88 1.49 -0.85 0.00 0.00 174.74 177.60 1gtz h GLU 59 N 8.01 1.00 0.00 1.40 4.81 -2.00 -1.65 114.58 126.15 1gtz h GLU 59 Ca -0.37 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.70 1gtz h GLU 59 Cb 1.18 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1gtz h GLU 59 CO 0.59 0.66 -0.47 0.78 -0.73 0.00 0.00 179.01 179.84 1gtz h GLY 60 N 1.03 0.00 0.71 1.92 0.00 -1.99 -2.33 103.07 102.40 1gtz h GLY 60 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1gtz h GLY 60 CO -0.10 0.00 -0.03 -2.09 0.00 0.00 0.00 176.54 174.32 1gtz h GLU 61 N 0.00 -0.07 -0.77 4.80 4.81 -1.87 -2.09 114.58 119.38 1gtz h GLU 61 Ca -0.00 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1gtz h GLU 61 Cb 0.90 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.19 1gtz h GLU 61 CO 0.06 0.22 0.28 -0.07 -0.73 0.00 0.00 179.01 178.77 1gtz h LEU 62 N -0.37 0.21 -0.12 1.64 3.38 -1.09 -1.36 115.31 117.60 1gtz h LEU 62 Ca -0.01 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1gtz h LEU 62 Cb 0.33 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1gtz h LEU 62 CO 0.01 0.05 -0.27 0.58 0.09 0.00 0.00 178.44 178.90 1gtz h VAL 63 N 0.39 0.36 -0.76 1.22 2.07 -1.33 -2.01 116.25 116.19 1gtz h VAL 63 Ca 0.44 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.05 1gtz h VAL 63 Cb 0.71 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 1gtz h VAL 63 CO -0.45 0.00 0.41 0.44 0.02 0.00 0.00 177.57 177.99 1gtz h ASP 64 N -0.35 0.57 -0.14 0.57 3.32 -0.78 -1.66 116.42 117.95 1gtz h ASP 64 Ca 0.10 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1gtz h ASP 64 Cb 0.49 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1gtz h ASP 64 CO -0.32 0.32 -0.30 -0.50 -1.72 0.00 0.00 179.24 176.72 1gtz h TRP 65 N 0.69 0.71 -0.33 4.55 6.55 -0.90 -1.14 115.95 126.09 1gtz h TRP 65 Ca 0.37 -0.18 -0.11 0.00 0.95 0.00 0.00 58.89 59.93 1gtz h TRP 65 Cb 0.36 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.48 1gtz h TRP 65 CO -0.08 0.85 -0.24 0.82 -1.05 0.00 0.00 178.44 178.74 1gtz h ILE 66 N 0.53 1.27 -0.54 1.49 2.04 -0.85 -0.81 117.51 120.64 1gtz h ILE 66 Ca 0.06 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 1gtz h ILE 66 Cb 0.79 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1gtz h ILE 66 CO 0.06 0.43 0.27 0.45 0.00 0.00 0.00 178.15 179.36 1gtz h HIS 67 N 0.57 0.77 -0.31 1.37 3.86 -0.70 -0.49 115.15 120.22 1gtz h HIS 67 Ca 0.08 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1gtz h HIS 67 Cb 0.71 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1gtz h HIS 67 CO 0.03 0.59 0.19 1.49 0.86 0.00 0.00 177.93 181.10 1gtz h GLU 68 N 0.72 0.41 -0.82 2.45 4.81 -0.93 -2.50 114.58 118.73 1gtz h GLU 68 Ca 0.19 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1gtz h GLU 68 Cb 0.11 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1gtz h GLU 68 CO -0.02 0.30 0.54 0.00 -0.73 0.00 0.00 179.01 179.09 1gtz h ALA 69 N 1.09 1.59 -0.94 2.92 0.00 -0.65 -1.65 119.26 121.61 1gtz h ALA 69 Ca 0.11 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.19 1gtz h ALA 69 Cb -0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 1gtz h ALA 69 CO -0.02 0.30 0.61 -0.09 0.00 0.00 0.00 179.25 180.04 1gtz h ARG 70 N 0.92 0.53 0.00 0.00 2.43 -0.62 -1.59 114.38 116.04 1gtz h ARG 70 Ca 0.35 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1gtz h ARG 70 Cb 0.20 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1gtz h ARG 70 CO -0.12 0.35 -1.90 1.28 -1.51 0.00 0.00 179.97 178.07 1gtz n LEU 71 N -4.59 0.00 0.00 3.80 4.77 -0.84 -4.73 117.00 115.41 1gtz n LEU 71 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1gtz n LEU 71 Cb 0.65 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1gtz n LEU 71 CO 0.28 0.02 0.11 0.59 -1.33 0.00 0.00 177.39 177.05 1gtz n ASN 72 N -2.19 0.42 -4.41 -1.43 3.02 -0.68 -5.09 115.26 104.90 1gtz n ASN 72 Ca -0.05 -0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 53.58 1gtz n ASN 72 Cb 0.53 0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 40.05 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 -0.45 1.98 -1.31 3.10 3.76 -0.64 -4.49 115.29 117.24 1gtz s HIS 73 Ca 0.00 -0.51 0.25 0.00 -0.15 0.00 0.00 55.06 54.65 1gtz s HIS 73 Cb 0.00 -0.95 0.51 0.00 1.11 0.00 0.00 32.58 33.25 1gtz s HIS 73 CO 0.00 0.47 1.41 0.00 -0.85 0.00 0.00 174.74 175.78 1gtz n GLY 75 N 1.44 1.53 3.06 0.00 0.00 -1.26 -4.48 105.19 105.48 1gtz n GLY 75 Ca 0.08 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 1.27 -0.23 -0.61 1.01 -0.32 -1.10 121.20 119.23 1gtz s ILE 76 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1gtz s ILE 76 Cb 0.00 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1gtz s ILE 76 CO 0.00 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 1gtz s VAL 77 N 0.47 3.41 -0.04 2.92 1.01 0.16 -1.10 120.40 127.23 1gtz s VAL 77 Ca -0.12 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1gtz s VAL 77 Cb -0.15 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1gtz s VAL 77 CO 0.04 0.39 -0.15 -0.51 0.00 0.00 0.00 175.10 174.87 1gtz s ILE 78 N 1.48 1.26 -0.55 2.22 2.07 -0.20 -0.82 121.20 126.65 1gtz s ILE 78 Ca 0.05 -0.61 -0.05 0.00 -1.41 0.00 0.00 60.65 58.64 1gtz s ILE 78 Cb -0.15 -1.10 0.14 0.00 0.13 0.00 0.00 42.46 41.49 1gtz s ILE 78 CO -0.03 0.37 0.38 0.21 -1.91 0.00 0.00 174.94 173.97 1gtz s ASN 79 N 0.19 5.46 0.00 4.50 3.84 -0.59 -0.28 114.94 128.06 1gtz s ASN 79 Ca -0.06 -2.43 0.17 0.00 0.21 0.00 0.00 52.86 50.75 1gtz s ASN 79 Cb -0.12 -1.91 0.73 0.00 -0.55 0.00 0.00 41.25 39.41 1gtz s ASN 79 CO 0.02 -0.50 1.54 -2.65 -2.79 0.00 0.00 177.10 172.72 1gtz n PRO 80 N 4.11 0.02 0.00 0.43 -0.02 -1.26 -0.68 135.00 137.60 1gtz n PRO 80 Ca 0.02 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1gtz n PRO 80 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.48 0.00 -0.00 3.55 0.00 -1.26 -2.07 120.51 119.24 1gtz n ALA 81 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.58 1gtz n ALA 81 Cb 0.19 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.70 1.94 0.00 0.00 0.00 -1.94 -1.97 119.26 116.59 1gtz h ALA 82 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gtz h ALA 82 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gtz h ALA 82 CO 0.00 -0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.89 1gtz n TYR 83 N -4.48 0.05 -0.05 0.00 0.53 -0.88 -1.90 117.16 110.44 1gtz n TYR 83 Ca 0.06 0.02 -0.01 0.00 -1.02 0.00 0.00 57.90 56.95 1gtz n TYR 83 Cb 0.24 -0.54 0.25 0.00 -1.03 0.00 0.00 39.34 38.26 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 0.60 0.54 7.72 0.02 -1.42 -0.44 113.55 120.57 1gtz h SER 84 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1gtz h SER 84 Cb 0.09 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1gtz h SER 84 CO 0.00 0.65 -0.67 1.41 -1.14 0.00 0.00 176.83 177.09 1gtz n HIS 85 N -4.27 0.18 0.00 3.45 8.25 -0.80 -0.60 115.22 121.44 1gtz n HIS 85 Ca 0.02 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1gtz n HIS 85 Cb 0.25 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1gtz n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1gtz n THR 86 N -1.74 0.00 -3.41 1.59 -2.24 -1.03 -4.80 114.28 102.66 1gtz n THR 86 Ca 0.04 -0.05 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 1gtz n THR 86 Cb 0.38 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.94 6.20 0.38 3.42 0.15 -0.20 -4.82 113.70 117.89 1gtz s SER 87 Ca 0.00 -2.24 0.09 0.00 0.70 0.00 0.00 55.95 54.50 1gtz s SER 87 Cb 0.00 -2.13 0.77 0.00 -1.71 0.00 0.00 66.02 62.95 1gtz s SER 87 CO 0.00 -0.68 1.92 0.58 1.20 0.00 0.00 173.24 176.26 1gtz h VAL 88 N 5.49 1.17 -0.23 4.45 2.07 -1.95 -2.64 116.25 124.61 1gtz h VAL 88 Ca -0.11 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1gtz h VAL 88 Cb 1.06 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1gtz h VAL 88 CO 0.87 0.23 -0.24 0.00 0.02 0.00 0.00 177.57 178.45 1gtz h ALA 89 N 1.64 1.16 -0.03 1.67 0.00 -1.98 -0.77 119.26 120.95 1gtz h ALA 89 Ca 0.06 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1gtz h ALA 89 Cb 0.34 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1gtz h ALA 89 CO 0.02 0.53 -0.50 0.82 0.00 0.00 0.00 179.25 180.12 1gtz h ILE 90 N 0.38 1.43 0.00 0.00 2.04 -1.87 -1.27 117.51 118.22 1gtz h ILE 90 Ca 0.06 -1.96 0.03 0.00 1.00 0.00 0.00 64.86 63.99 1gtz h ILE 90 Cb 0.63 2.49 -0.06 0.00 -0.74 0.00 0.00 36.82 39.15 1gtz h ILE 90 CO 0.05 0.57 -0.44 0.25 0.00 0.00 0.00 178.15 178.58 1gtz h LEU 91 N -0.11 -1.34 -1.18 1.44 5.85 -1.18 -1.86 115.31 116.94 1gtz h LEU 91 Ca -0.05 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1gtz h LEU 91 Cb 1.19 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.68 1gtz h LEU 91 CO 0.10 -0.47 0.58 0.44 -0.34 0.00 0.00 178.44 178.75 1gtz h ASP 92 N -0.59 0.83 -0.13 1.25 3.32 -1.03 -0.70 116.42 119.36 1gtz h ASP 92 Ca 0.04 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1gtz h ASP 92 Cb 0.67 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1gtz h ASP 92 CO -0.32 0.49 0.08 0.00 -1.72 0.00 0.00 179.24 177.77 1gtz h ALA 93 N 1.55 0.16 -0.75 3.45 0.00 -0.83 -2.02 119.26 120.82 1gtz h ALA 93 Ca 0.41 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1gtz h ALA 93 Cb 0.38 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1gtz h ALA 93 CO -0.18 -0.33 0.50 -0.07 0.00 0.00 0.00 179.25 179.17 1gtz h LEU 94 N 0.14 0.81 -0.91 0.00 3.38 -0.84 -2.43 115.31 115.48 1gtz h LEU 94 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gtz h LEU 94 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1gtz h LEU 94 CO -0.01 0.57 0.00 0.59 0.09 0.00 0.00 178.44 179.68 1gtz n ASN 95 N -4.44 0.65 0.16 -0.43 5.03 -0.31 -1.95 115.26 113.96 1gtz n ASN 95 Ca 0.09 0.69 0.13 0.00 0.87 0.00 0.00 54.58 56.36 1gtz n ASN 95 Cb 0.09 -0.82 0.29 0.00 -1.02 0.00 0.00 39.78 38.32 1gtz n ASN 95 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1gtz h THR 96 N 0.00 0.00 -2.37 3.41 1.35 -1.06 -3.39 112.91 110.85 1gtz h THR 96 Ca 0.00 -0.74 -0.74 0.00 -0.55 0.00 0.00 66.41 64.38 1gtz h THR 96 Cb 0.27 1.74 -0.19 0.00 -1.73 0.00 0.00 68.15 68.23 1gtz h THR 96 CO 0.00 0.00 1.21 0.00 -0.25 0.00 0.00 175.52 176.48 1gtz n ASP 98 N 5.31 2.56 0.00 0.00 2.03 -1.26 -2.78 116.55 122.41 1gtz n ASP 98 Ca 0.34 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1gtz n ASP 98 Cb 0.43 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 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 6.11 2.02 3.70 0.27 0.00 -1.26 -4.98 105.19 111.04 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 4.33 0.20 0.99 2.96 -1.12 -4.96 118.68 121.09 1gtz s LEU 100 Ca 0.00 2.17 -0.32 0.00 -0.22 0.00 0.00 54.13 55.76 1gtz s LEU 100 Cb 0.00 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.99 1gtz s LEU 100 CO 0.00 -0.70 1.53 -2.65 -1.32 0.00 0.00 176.35 173.21 1gtz n PRO 101 N 4.99 2.19 -3.97 0.98 -0.02 -1.26 -4.92 135.00 132.99 1gtz n PRO 101 Ca 0.13 0.79 -0.21 0.00 -2.02 0.00 0.00 63.50 62.18 1gtz n PRO 101 Cb 0.43 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 1gtz n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gtz s VAL 102 N 0.50 0.47 -0.16 -1.45 1.01 -1.26 -1.17 120.40 118.35 1gtz s VAL 102 Ca 0.74 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1gtz s VAL 102 Cb -0.64 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1gtz s VAL 102 CO 0.43 0.24 -0.21 -0.69 0.00 0.00 0.00 175.10 174.87 1gtz s VAL 103 N 1.39 2.07 -0.06 2.92 1.01 -0.26 -0.23 120.40 127.25 1gtz s VAL 103 Ca -0.04 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 1gtz s VAL 103 Cb -0.13 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1gtz s VAL 103 CO -0.03 0.54 0.50 -0.70 0.00 0.00 0.00 175.10 175.41 1gtz s GLU 104 N 1.03 4.25 -0.05 2.72 2.12 -0.41 -1.04 118.70 127.32 1gtz s GLU 104 Ca -0.02 0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.88 1gtz s GLU 104 Cb -0.14 -3.36 -0.00 0.00 0.26 0.00 0.00 34.13 30.88 1gtz s GLU 104 CO -0.07 0.34 -0.17 0.08 -0.54 0.00 0.00 175.26 174.89 1gtz s VAL 105 N 0.01 1.47 -0.08 3.70 1.01 0.61 -0.80 120.40 126.33 1gtz s VAL 105 Ca 0.27 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1gtz s VAL 105 Cb -0.16 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1gtz s VAL 105 CO 0.13 0.42 -0.18 -1.00 0.00 0.00 0.00 175.10 174.47 1gtz s HIS 106 N 0.14 1.96 0.08 5.22 3.76 -0.09 -4.12 115.29 122.23 1gtz s HIS 106 Ca -0.06 -0.74 -0.26 0.00 -0.15 0.00 0.00 55.06 53.84 1gtz s HIS 106 Cb -0.13 -1.35 -0.17 0.00 1.11 0.00 0.00 32.58 32.05 1gtz s HIS 106 CO 0.03 -0.32 1.66 0.82 -0.85 0.00 0.00 174.74 176.08 1gtz h ILE 107 N 5.76 0.79 -3.82 0.60 2.04 -1.86 -2.36 117.51 118.66 1gtz h ILE 107 Ca -0.26 -0.07 -0.50 0.00 1.00 0.00 0.00 64.86 65.03 1gtz h ILE 107 Cb 1.21 0.83 0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1gtz h ILE 107 CO 0.47 0.02 0.20 -0.94 0.00 0.00 0.00 178.15 177.90 1gtz s SER 108 N -4.95 6.30 -0.85 1.72 1.04 -1.26 -2.05 113.70 113.65 1gtz s SER 108 Ca -0.15 1.11 -0.22 0.00 0.48 0.00 0.00 55.95 57.17 1gtz s SER 108 Cb 0.05 -2.32 0.08 0.00 0.10 0.00 0.00 66.02 63.92 1gtz s SER 108 CO 0.64 -0.63 1.19 0.21 0.98 0.00 0.00 173.24 175.63 1gtz s ASN 109 N -3.97 6.39 0.58 7.02 3.84 -1.26 -2.04 114.94 125.51 1gtz s ASN 109 Ca 0.50 -1.33 0.28 0.00 0.21 0.00 0.00 52.86 52.53 1gtz s ASN 109 Cb -0.10 -2.48 1.77 0.00 -0.55 0.00 0.00 41.25 39.88 1gtz s ASN 109 CO 0.45 -1.42 2.24 0.16 -2.79 0.00 0.00 177.10 175.74 1gtz h ILE 110 N 6.16 0.56 0.00 -5.21 3.07 -1.93 -1.75 117.51 118.41 1gtz h ILE 110 Ca -0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.38 1gtz h ILE 110 Cb 1.04 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1gtz h ILE 110 CO 1.24 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.75 1gtz n HIS 111 N -3.91 0.00 0.99 0.16 8.25 -1.26 -1.93 115.22 117.52 1gtz n HIS 111 Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.54 1gtz n HIS 111 Cb 0.10 -0.47 -0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 1.26 0.00 -0.41 6.02 -0.66 -4.97 117.38 117.15 1gtz n GLN 112 Ca 0.05 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1gtz n GLN 112 Cb 0.22 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 0.02 2.86 -1.62 -1.09 1.74 -0.81 -5.08 116.66 112.68 1gtz n ARG 113 Ca 0.09 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 1gtz n ARG 113 Cb 0.47 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.99 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 2.69 2.39 0.47 5.56 8.01 -1.26 -4.89 118.70 131.67 1gtz s GLU 114 Ca 0.00 1.88 0.12 0.00 0.01 0.00 0.00 54.97 56.98 1gtz s GLU 114 Cb 0.00 -1.85 1.08 0.00 -4.31 0.00 0.00 34.13 29.05 1gtz s GLU 114 CO 0.00 -1.67 2.10 -1.35 0.01 0.00 0.00 175.26 174.36 1gtz h PRO 115 N 0.16 0.25 0.00 0.39 0.11 -1.96 0.19 132.00 131.14 1gtz h PRO 115 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1gtz h PRO 115 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1gtz h PRO 115 CO 0.52 0.17 0.00 0.27 -0.21 0.00 0.00 178.00 178.74 1gtz h PHE 116 N 0.26 0.00 -0.00 0.65 -5.15 -1.97 -1.17 116.94 109.55 1gtz h PHE 116 Ca 0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.85 1gtz h PHE 116 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.16 1gtz h PHE 116 CO -0.00 0.00 -0.27 0.54 -2.00 0.00 0.00 178.31 176.58 1gtz n ARG 117 N -2.78 0.51 0.20 6.09 1.74 0.66 -4.49 116.66 118.59 1gtz n ARG 117 Ca -0.01 -0.26 0.06 0.00 -0.77 0.00 0.00 57.85 56.86 1gtz n ARG 117 Cb 0.14 -1.49 0.43 0.00 -1.02 0.00 0.00 32.46 30.52 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 0.63 0.00 -3.75 -1.55 3.86 -1.28 -3.44 115.15 109.64 1gtz h HIS 118 Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 1gtz h HIS 118 Cb 0.47 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 28.72 1gtz h HIS 118 CO 0.00 0.32 -0.74 -1.58 0.86 0.00 0.00 177.93 176.79 1gtz s HIS 119 N -4.03 2.82 -0.09 2.45 5.65 -1.26 -4.92 115.29 115.92 1gtz s HIS 119 Ca -0.02 -0.18 0.04 0.00 0.25 0.00 0.00 55.06 55.15 1gtz s HIS 119 Cb 0.13 -1.71 0.00 0.00 -1.18 0.00 0.00 32.58 29.82 1gtz s HIS 119 CO 0.68 0.16 -0.20 0.45 -0.65 0.00 0.00 174.74 175.19 1gtz s SER 120 N -0.52 2.63 0.19 9.88 0.15 -1.26 -4.29 113.70 120.49 1gtz s SER 120 Ca 0.07 -0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.16 1gtz s SER 120 Cb -0.12 -1.17 0.10 0.00 -1.71 0.00 0.00 66.02 63.12 1gtz s SER 120 CO 0.02 0.12 1.72 1.88 1.20 0.00 0.00 173.24 178.18 1gtz h TYR 121 N 6.75 1.10 -0.48 3.44 -1.99 -1.16 -2.93 116.97 121.71 1gtz h TYR 121 Ca -0.24 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.41 1gtz h TYR 121 Cb 1.22 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 39.61 1gtz h TYR 121 CO 0.47 0.89 0.32 0.28 -0.00 0.00 0.00 178.16 180.12 1gtz h VAL 122 N 1.00 1.05 0.00 -2.88 2.07 -1.86 -2.72 116.25 112.90 1gtz h VAL 122 Ca 0.22 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1gtz h VAL 122 Cb 0.31 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1gtz h VAL 122 CO -0.01 0.10 -0.06 0.77 0.02 0.00 0.00 177.57 178.39 1gtz h SER 123 N 0.53 0.00 0.83 0.57 4.64 -1.87 0.65 113.55 118.90 1gtz h SER 123 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1gtz h SER 123 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1gtz h SER 123 CO -0.05 0.06 0.00 1.56 -0.87 0.00 0.00 176.83 177.53 1gtz h GLN 124 N 0.00 0.00 0.00 4.77 1.08 -1.63 -3.29 115.11 116.04 1gtz h GLN 124 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 1gtz h GLN 124 Cb 0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1gtz h GLN 124 CO 0.01 0.00 -1.70 -2.13 -0.95 0.00 0.00 178.83 174.06 1gtz n ARG 125 N -2.62 1.77 -1.68 1.46 3.00 -0.64 -5.01 116.66 112.93 1gtz n ARG 125 Ca 0.01 0.02 -0.44 0.00 -0.00 0.00 0.00 57.85 57.44 1gtz n ARG 125 Cb 0.26 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 31.44 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 -2.52 1.35 -0.15 5.13 0.00 0.13 -4.88 120.51 119.56 1gtz n ALA 126 Ca -0.18 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 1gtz n ALA 126 Cb 0.80 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 4.12 0.59 -4.37 0.00 3.32 -0.95 -3.45 116.42 115.67 1gtz h ASP 127 Ca -0.45 -0.13 -0.47 0.00 0.02 0.00 0.00 57.03 56.00 1gtz h ASP 127 Cb 1.27 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.45 1gtz h ASP 127 CO 0.75 0.55 -0.80 -0.83 -1.72 0.00 0.00 179.24 177.19 1gtz s GLY 128 N -2.88 0.99 -0.06 2.75 0.00 -1.20 -5.06 107.32 101.85 1gtz s GLY 128 Ca -0.13 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1gtz s GLY 128 CO 0.75 -1.09 -0.05 0.14 0.00 0.00 0.00 173.10 172.86 1gtz s VAL 129 N -1.20 0.64 -0.08 1.40 1.01 -1.26 -1.28 120.40 119.63 1gtz s VAL 129 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1gtz s VAL 129 Cb -0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1gtz s VAL 129 CO 0.03 0.27 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 1gtz s VAL 130 N 1.24 2.55 0.01 2.92 1.01 0.02 -4.98 120.40 123.17 1gtz s VAL 130 Ca -0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1gtz s VAL 130 Cb -0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1gtz s VAL 130 CO -0.02 0.56 -0.00 0.00 0.00 0.00 0.00 175.10 175.64 1gtz s ALA 131 N -0.13 0.04 -0.50 5.51 0.00 -1.26 -0.91 121.76 124.50 1gtz s ALA 131 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1gtz s ALA 131 Cb -0.14 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1gtz s ALA 131 CO 0.04 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1gtz n GLY 132 N 2.17 0.66 1.96 0.00 0.00 -0.86 -4.76 105.19 104.35 1gtz n GLY 132 Ca -0.19 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.24 0.54 0.16 0.00 0.00 -0.87 -2.39 105.19 102.87 1gtz n GLY 134 Ca 0.34 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 1.61 -1.51 -1.89 -1.24 116.25 113.22 1gtz h VAL 135 Ca 0.00 -0.27 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 1gtz h VAL 135 Cb 0.00 1.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1gtz h VAL 135 CO 0.00 0.00 -0.03 -0.61 -1.23 0.00 0.00 177.57 175.70 1gtz h GLN 136 N 0.00 0.00 0.00 5.19 4.15 -1.95 -0.86 115.11 121.64 1gtz h GLN 136 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1gtz h GLN 136 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1gtz h GLN 136 CO 0.00 0.03 0.00 0.78 -1.93 0.00 0.00 178.83 177.71 1gtz h GLY 137 N 0.15 0.00 1.87 2.39 0.00 -0.85 -0.60 103.07 106.04 1gtz h GLY 137 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1gtz h GLY 137 CO 0.00 0.00 -0.57 -0.97 0.00 0.00 0.00 176.54 175.00 1gtz h TYR 138 N 0.00 0.17 -0.29 5.60 -1.99 -1.35 -0.46 116.97 118.65 1gtz h TYR 138 Ca 0.00 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1gtz h TYR 138 Cb 0.25 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1gtz h TYR 138 CO 0.00 0.67 0.09 0.28 -0.00 0.00 0.00 178.16 179.20 1gtz h VAL 139 N 0.10 1.20 -0.32 -2.88 2.07 -1.25 -0.83 116.25 114.34 1gtz h VAL 139 Ca -0.00 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1gtz h VAL 139 Cb 1.04 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1gtz h VAL 139 CO 0.08 0.21 0.19 -0.26 0.02 0.00 0.00 177.57 177.81 1gtz h PHE 140 N 0.30 0.35 -0.46 1.57 0.05 -1.22 -1.34 116.94 116.20 1gtz h PHE 140 Ca 0.09 0.01 0.08 0.00 3.82 0.00 0.00 57.97 61.98 1gtz h PHE 140 Cb 0.24 -0.11 -0.10 0.00 2.00 0.00 0.00 35.95 37.98 1gtz h PHE 140 CO 0.01 0.21 -0.37 0.78 -0.18 0.00 0.00 178.31 178.75 1gtz h GLY 141 N 0.38 -0.33 0.99 -1.45 0.00 -0.60 -1.01 103.07 101.06 1gtz h GLY 141 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1gtz h GLY 141 CO -0.06 -0.20 0.26 -2.08 0.00 0.00 0.00 176.54 174.46 1gtz h VAL 142 N -0.25 1.12 -0.97 4.60 2.07 -0.77 -1.49 116.25 120.55 1gtz h VAL 142 Ca 0.18 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1gtz h VAL 142 Cb 0.56 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1gtz h VAL 142 CO -0.59 0.11 0.62 -0.33 0.02 0.00 0.00 177.57 177.40 1gtz h GLU 143 N 0.54 1.00 -0.10 1.57 5.08 -0.98 -1.34 114.58 120.35 1gtz h GLU 143 Ca 0.15 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1gtz h GLU 143 Cb -0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1gtz h GLU 143 CO -0.03 0.66 -0.55 -0.09 -1.00 0.00 0.00 179.01 178.00 1gtz h ARG 144 N 1.04 0.31 -0.54 2.33 9.65 -0.81 -1.74 114.38 124.62 1gtz h ARG 144 Ca 0.45 -0.19 -0.06 0.00 -1.10 0.00 0.00 59.98 59.07 1gtz h ARG 144 Cb 0.34 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 1gtz h ARG 144 CO -0.20 0.78 0.09 0.82 2.80 0.00 0.00 179.97 184.26 1gtz h ILE 145 N 0.24 1.25 -0.07 1.20 1.08 -0.88 -1.19 117.51 119.14 1gtz h ILE 145 Ca 0.00 -0.95 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 1gtz h ILE 145 Cb 1.04 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 1gtz h ILE 145 CO 0.09 0.34 0.00 0.00 -0.69 0.00 0.00 178.15 177.89 1gtz h ALA 146 N 0.99 0.06 -0.67 1.87 0.00 -0.99 0.21 119.26 120.73 1gtz h ALA 146 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1gtz h ALA 146 Cb 0.40 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1gtz h ALA 146 CO 0.01 -0.47 0.37 0.00 0.00 0.00 0.00 179.25 179.16 1gtz h ALA 147 N 1.06 0.86 -0.00 0.00 0.00 -0.89 -3.06 119.26 117.22 1gtz h ALA 147 Ca 0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1gtz h ALA 147 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1gtz h ALA 147 CO -0.05 0.37 -0.73 -0.07 0.00 0.00 0.00 179.25 178.76 1gtz h LEU 148 N 0.91 0.01 -0.35 0.00 3.38 -0.82 -3.22 115.31 115.23 1gtz h LEU 148 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1gtz h LEU 148 Cb 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1gtz h LEU 148 CO -0.04 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1gtz n ALA 149 N -2.40 1.95 1.55 1.53 0.00 0.70 -5.01 120.51 118.82 1gtz n ALA 149 Ca -0.01 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1gtz n ALA 149 Cb 0.71 -1.42 0.57 0.00 0.00 0.00 0.00 19.45 19.31 1gtz n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91