#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 5.45 0.46 0.55 1.04 -1.26 -4.79 113.70 115.15 1gtz s SER 3 Ca 0.00 -0.58 0.25 0.00 0.48 0.00 0.00 55.95 56.10 1gtz s SER 3 Cb 0.00 -0.31 0.99 0.00 0.10 0.00 0.00 66.02 66.80 1gtz s SER 3 CO 0.00 -0.97 1.85 -0.07 0.98 0.00 0.00 173.24 175.04 1gtz h LEU 4 N 0.48 0.00 -0.77 2.42 4.07 -1.87 -1.89 115.31 117.76 1gtz h LEU 4 Ca -0.36 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.50 1gtz h LEU 4 Cb 1.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 1gtz h LEU 4 CO 0.44 0.19 -0.47 0.00 -1.08 0.00 0.00 178.44 177.52 1gtz h ALA 5 N 1.81 0.93 0.00 1.53 0.00 -1.89 -3.31 119.26 118.32 1gtz h ALA 5 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gtz h ALA 5 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1gtz h ALA 5 CO 0.02 0.59 -1.51 0.09 0.00 0.00 0.00 179.25 178.44 1gtz n ASN 6 N -3.55 0.44 -3.67 0.00 5.03 -0.76 -4.99 115.26 107.75 1gtz n ASN 6 Ca -0.00 -0.37 -0.14 0.00 0.87 0.00 0.00 54.58 54.93 1gtz n ASN 6 Cb 0.57 1.48 -0.08 0.00 -1.02 0.00 0.00 39.78 40.73 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 -3.29 -1.27 0.54 5.41 0.00 -0.90 -4.96 121.76 117.29 1gtz s ALA 7 Ca -0.01 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1gtz s ALA 7 Cb 0.15 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1gtz s ALA 7 CO 0.88 -0.28 1.09 -1.25 0.00 0.00 0.00 175.76 176.21 1gtz s PRO 8 N -0.42 3.44 0.02 0.00 0.04 -1.26 -4.24 135.00 132.58 1gtz s PRO 8 Ca -0.06 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1gtz s PRO 8 Cb -0.03 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1gtz s PRO 8 CO 0.04 -0.75 1.19 0.42 0.04 0.00 0.00 177.00 177.94 1gtz s ILE 9 N -1.97 4.14 -0.15 0.56 1.01 -0.29 -1.32 121.20 123.18 1gtz s ILE 9 Ca 0.69 1.52 -0.24 0.00 0.00 0.00 0.00 60.65 62.62 1gtz s ILE 9 Cb -0.20 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1gtz s ILE 9 CO 0.27 0.08 0.77 -0.32 0.00 0.00 0.00 174.94 175.74 1gtz s MET 10 N 1.46 4.31 -0.28 2.79 -2.45 -0.45 -0.80 119.30 123.88 1gtz s MET 10 Ca 0.58 0.92 0.00 0.00 -1.25 0.00 0.00 55.69 55.94 1gtz s MET 10 Cb -0.28 -3.55 0.05 0.00 1.25 0.00 0.00 34.83 32.31 1gtz s MET 10 CO 0.27 -0.23 -0.06 0.42 1.05 0.00 0.00 175.02 176.47 1gtz s ILE 11 N 1.82 2.60 -0.11 10.11 1.01 -0.11 -0.49 121.20 136.03 1gtz s ILE 11 Ca 0.36 -1.46 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1gtz s ILE 11 Cb -0.17 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1gtz s ILE 11 CO 0.13 -0.04 -0.02 -0.76 0.00 0.00 0.00 174.94 174.25 1gtz s LEU 12 N 1.19 3.42 -0.06 2.97 1.43 0.12 -0.91 118.68 126.84 1gtz s LEU 12 Ca -0.06 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1gtz s LEU 12 Cb -0.20 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1gtz s LEU 12 CO -0.03 0.30 -0.11 0.20 0.23 0.00 0.00 176.35 176.94 1gtz s ASN 13 N -0.41 1.61 0.40 2.29 0.01 -0.33 -1.31 114.94 117.20 1gtz s ASN 13 Ca 0.07 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1gtz s ASN 13 Cb -0.12 -0.75 0.00 0.00 0.41 0.00 0.00 41.25 40.79 1gtz s ASN 13 CO 0.02 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.24 1gtz n GLY 14 N 3.84 -0.34 3.77 0.66 0.00 -0.09 -0.90 105.19 112.14 1gtz n GLY 14 Ca -0.23 -1.74 -0.37 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 -1.09 3.69 0.00 1.61 0.04 -1.11 -3.25 135.00 134.88 1gtz s PRO 15 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1gtz s PRO 15 Cb 0.00 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1gtz s PRO 15 CO 0.00 -0.63 0.00 0.09 0.04 0.00 0.00 177.00 176.50 1gtz n ASN 16 N -0.52 0.00 0.30 6.66 3.02 -1.26 -4.55 115.26 118.90 1gtz n ASN 16 Ca 0.07 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.81 1gtz n ASN 16 Cb 0.47 -0.30 0.84 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.70 3.41 3.38 -1.92 -1.09 115.31 116.39 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 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gtz h LEU 17 CO 0.00 0.01 0.05 -0.55 0.09 0.00 0.00 178.44 178.03 1gtz h ASN 18 N 0.00 0.00 -0.60 -0.43 -1.07 -1.88 -0.13 115.58 111.47 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 0.36 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 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 -3.34 4.79 -4.71 6.14 4.77 -0.41 -4.84 117.00 119.41 1gtz n LEU 19 Ca -0.02 -2.42 -0.43 0.00 -0.03 0.00 0.00 56.01 53.10 1gtz n LEU 19 Cb 0.12 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1gtz n LEU 19 CO 0.22 0.73 1.16 -0.11 -1.33 0.00 0.00 177.39 178.06 1gtz n LEU 20 N 0.96 3.71 0.00 2.23 7.94 -0.06 -1.35 117.00 130.43 1gtz n LEU 20 Ca 0.25 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 1gtz n LEU 20 Cb 0.93 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1gtz n LEU 20 CO 0.25 -0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 1gtz n GLY 21 N 2.45 3.18 0.11 -3.96 0.00 -1.10 -3.85 105.19 102.02 1gtz n GLY 21 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.63 0.68 -4.48 1.61 6.02 -0.45 -4.68 117.38 114.43 1gtz n GLN 22 Ca 0.00 0.08 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 1gtz n GLN 22 Cb 0.00 -1.55 -0.11 0.00 1.02 0.00 0.00 30.24 29.60 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 -2.51 2.77 -1.25 -1.58 0.00 -0.98 -4.81 121.76 113.40 1gtz s ALA 23 Ca -0.18 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.33 1gtz s ALA 23 Cb 0.07 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.38 1gtz s ALA 23 CO 0.75 0.60 0.51 1.04 0.00 0.00 0.00 175.76 178.66 1gtz n GLN 24 N 1.28 -0.38 0.24 0.00 6.02 -1.26 -4.74 117.38 118.54 1gtz n GLN 24 Ca -0.15 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 56.99 1gtz n GLN 24 Cb 0.52 -2.57 0.61 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.31 0.00 0.00 -1.09 0.13 -1.88 -1.37 132.00 125.49 1gtz h PRO 25 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1gtz h PRO 25 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1gtz h PRO 25 CO 0.54 0.18 0.00 -0.85 -0.23 0.00 0.00 178.00 177.64 1gtz n GLU 26 N -3.63 0.13 -0.09 0.86 0.00 -1.26 -0.29 120.64 116.36 1gtz n GLU 26 Ca -0.01 0.33 -0.17 0.00 0.00 0.00 0.00 57.16 57.30 1gtz n GLU 26 Cb 0.31 -1.73 -0.07 0.00 0.00 0.00 0.00 31.44 29.95 1gtz n GLU 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1gtz n ILE 27 N -1.96 1.00 0.73 3.84 5.41 -0.61 -4.80 119.36 122.96 1gtz n ILE 27 Ca 0.03 -0.29 0.08 0.00 1.00 0.00 0.00 62.75 63.57 1gtz n ILE 27 Cb 0.23 -1.55 0.01 0.00 -0.71 0.00 0.00 39.64 37.62 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 -3.58 0.00 0.00 1.39 4.02 -0.62 -4.66 117.16 113.71 1gtz n TYR 28 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 1gtz n TYR 28 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.10 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 1.13 -0.23 0.73 2.72 0.00 0.61 -4.78 105.19 105.37 1gtz n GLY 29 Ca 0.07 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.62 2.95 -4.78 1.61 7.64 -1.26 -3.81 113.62 115.35 1gtz n SER 30 Ca 0.00 -1.93 -0.38 0.00 1.01 0.00 0.00 58.87 57.57 1gtz n SER 30 Cb 0.00 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.02 7.38 0.58 6.43 1.01 -1.26 -4.67 116.67 125.12 1gtz s ASP 31 Ca 0.26 1.74 0.02 0.00 0.71 0.00 0.00 52.55 55.28 1gtz s ASP 31 Cb 0.14 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.59 1gtz s ASP 31 CO 0.19 0.09 0.81 0.42 0.21 0.00 0.00 175.17 176.88 1gtz s THR 32 N -1.36 2.53 0.33 -1.27 -4.23 -1.26 -2.70 115.64 107.69 1gtz s THR 32 Ca 0.43 -0.71 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 1gtz s THR 32 Cb -0.21 -2.82 0.12 0.00 1.34 0.00 0.00 72.50 70.93 1gtz s THR 32 CO 0.26 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.42 1gtz h LEU 33 N -0.00 0.38 -0.70 4.79 5.85 -1.83 -2.15 115.31 121.65 1gtz h LEU 33 Ca -0.39 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.11 1gtz h LEU 33 Cb 1.29 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1gtz h LEU 33 CO 0.48 0.56 -0.25 0.00 -0.34 0.00 0.00 178.44 178.88 1gtz h ALA 34 N 1.49 0.88 -0.83 1.25 0.00 -1.94 -0.75 119.26 119.36 1gtz h ALA 34 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1gtz h ALA 34 Cb 0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1gtz h ALA 34 CO 0.03 0.63 0.46 -0.44 0.00 0.00 0.00 179.25 179.93 1gtz h ASP 35 N 0.63 1.03 -0.21 0.00 3.32 -1.78 -1.53 116.42 117.88 1gtz h ASP 35 Ca 0.08 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1gtz h ASP 35 Cb 0.76 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1gtz h ASP 35 CO 0.06 0.82 0.01 0.58 -1.72 0.00 0.00 179.24 179.00 1gtz h VAL 36 N 1.16 1.24 -0.56 -1.35 2.07 -1.10 -2.15 116.25 115.56 1gtz h VAL 36 Ca 0.29 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1gtz h VAL 36 Cb 0.02 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1gtz h VAL 36 CO -0.05 0.25 0.33 -0.08 0.02 0.00 0.00 177.57 178.05 1gtz h GLU 37 N 0.14 0.64 -0.08 1.57 4.81 -0.85 -1.31 114.58 119.49 1gtz h GLU 37 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1gtz h GLU 37 Cb 0.36 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1gtz h GLU 37 CO 0.01 0.42 -0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1gtz h ALA 38 N 1.26 1.85 -0.15 2.92 0.00 -1.15 0.43 119.26 124.42 1gtz h ALA 38 Ca 0.23 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1gtz h ALA 38 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gtz h ALA 38 CO -0.11 0.12 -0.58 -0.07 0.00 0.00 0.00 179.25 178.62 1gtz h LEU 39 N 0.11 0.53 -0.26 0.00 3.38 -0.60 -2.56 115.31 115.91 1gtz h LEU 39 Ca 0.03 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1gtz h LEU 39 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1gtz h LEU 39 CO 0.00 0.99 -0.44 0.00 0.09 0.00 0.00 178.44 179.08 1gtz h VAL 41 N 0.49 1.19 -0.28 0.00 2.07 -0.79 -1.13 116.25 117.80 1gtz h VAL 41 Ca 0.02 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1gtz h VAL 41 Cb 1.04 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1gtz h VAL 41 CO 0.10 0.21 -0.28 0.50 0.02 0.00 0.00 177.57 178.12 1gtz h LYS 42 N 1.17 0.69 -0.29 1.57 3.64 -1.45 -1.14 116.57 120.77 1gtz h LYS 42 Ca 0.35 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1gtz h LYS 42 Cb -0.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1gtz h LYS 42 CO -0.10 0.98 0.09 0.00 -2.27 0.00 0.00 179.45 178.15 1gtz h ALA 43 N 0.70 0.37 -0.35 5.00 0.00 -1.30 -2.79 119.26 120.90 1gtz h ALA 43 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1gtz h ALA 43 Cb 0.85 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1gtz h ALA 43 CO 0.07 0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.50 1gtz h ALA 44 N 0.92 0.46 -0.91 0.00 0.00 -1.10 -3.03 119.26 115.59 1gtz h ALA 44 Ca 0.09 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1gtz h ALA 44 Cb 0.25 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1gtz h ALA 44 CO -0.00 0.01 0.53 0.00 0.00 0.00 0.00 179.25 179.79 1gtz h ALA 45 N 1.03 1.37 0.00 0.00 0.00 -1.09 0.88 119.26 121.45 1gtz h ALA 45 Ca 0.12 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1gtz h ALA 45 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gtz h ALA 45 CO -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.29 1gtz h ALA 46 N 1.53 1.20 -0.50 0.00 0.00 -1.37 -0.52 119.26 119.60 1gtz h ALA 46 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1gtz h ALA 46 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1gtz h ALA 46 CO -0.30 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.68 1gtz n HIS 47 N -3.38 0.65 -1.22 0.00 8.25 -0.28 -4.93 115.22 114.32 1gtz n HIS 47 Ca -0.03 -0.35 -0.03 0.00 -0.26 0.00 0.00 57.72 57.06 1gtz n HIS 47 Cb 0.09 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 1.46 0.54 2.23 -1.41 0.00 -0.20 -4.86 105.19 102.95 1gtz n GLY 48 Ca 0.20 -0.93 -0.19 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 -2.42 3.52 3.17 -0.02 0.00 0.14 -4.27 105.19 105.32 1gtz n GLY 49 Ca -0.03 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.96 0.43 0.22 2.61 -4.23 -1.26 -3.26 115.64 108.19 1gtz s THR 50 Ca 0.06 -1.92 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1gtz s THR 50 Cb -0.00 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 1gtz s THR 50 CO 0.04 -0.66 -0.21 0.68 -0.54 0.00 0.00 174.62 173.93 1gtz s VAL 51 N -3.81 2.27 -0.34 2.29 -7.23 -1.26 -1.13 120.40 111.18 1gtz s VAL 51 Ca 0.18 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1gtz s VAL 51 Cb 0.07 -2.14 0.11 0.00 0.56 0.00 0.00 36.38 34.98 1gtz s VAL 51 CO -0.01 -0.29 0.13 -0.62 -0.31 0.00 0.00 175.10 173.99 1gtz s ASP 52 N -3.03 4.01 -0.24 4.85 -1.08 0.02 -4.88 116.67 116.32 1gtz s ASP 52 Ca 0.23 -1.92 -0.08 0.00 -0.52 0.00 0.00 52.55 50.27 1gtz s ASP 52 Cb -0.06 -0.97 -0.03 0.00 -1.46 0.00 0.00 42.92 40.39 1gtz s ASP 52 CO 0.11 -0.38 0.08 0.12 0.52 0.00 0.00 175.17 175.62 1gtz s PHE 53 N 1.26 3.13 0.12 -5.34 5.36 -1.26 -0.93 117.98 120.32 1gtz s PHE 53 Ca 0.12 -0.24 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 1gtz s PHE 53 Cb -0.19 -2.22 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1gtz s PHE 53 CO -0.17 -0.22 -0.10 1.03 -1.46 0.00 0.00 175.22 174.30 1gtz s ARG 54 N 1.36 0.93 0.00 10.12 0.52 -0.09 -4.99 118.95 126.79 1gtz s ARG 54 Ca 0.05 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.00 1gtz s ARG 54 Cb -0.15 -0.53 -0.01 0.00 0.52 0.00 0.00 34.95 34.78 1gtz s ARG 54 CO 0.04 0.07 -0.07 -1.14 0.02 0.00 0.00 175.30 174.22 1gtz s GLN 55 N -3.26 0.55 -0.04 3.54 -0.44 -1.26 -1.18 119.66 117.56 1gtz s GLN 55 Ca 0.10 -0.31 -0.18 0.00 -2.50 0.00 0.00 55.36 52.48 1gtz s GLN 55 Cb 0.00 -0.51 0.03 0.00 -1.64 0.00 0.00 33.01 30.90 1gtz s GLN 55 CO -0.00 0.14 0.40 0.45 0.50 0.00 0.00 175.29 176.77 1gtz s SER 56 N -0.33 -0.32 0.00 6.67 0.15 -0.08 -4.95 113.70 114.83 1gtz s SER 56 Ca 0.01 0.32 0.29 0.00 0.70 0.00 0.00 55.95 57.27 1gtz s SER 56 Cb -0.03 0.44 1.19 0.00 -1.71 0.00 0.00 66.02 65.90 1gtz s SER 56 CO -0.00 -0.44 1.84 0.59 1.20 0.00 0.00 173.24 176.43 1gtz n ASN 57 N 1.43 0.49 -4.28 5.45 3.02 -1.26 -2.74 115.26 117.36 1gtz n ASN 57 Ca -0.20 -0.56 -0.34 0.00 -0.03 0.00 0.00 54.58 53.45 1gtz n ASN 57 Cb 0.56 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.50 2.89 0.18 3.10 3.76 -1.26 -4.75 115.29 116.71 1gtz s HIS 58 Ca 0.28 -1.05 -0.13 0.00 -0.15 0.00 0.00 55.06 54.01 1gtz s HIS 58 Cb 0.20 -2.02 0.15 0.00 1.11 0.00 0.00 32.58 32.02 1gtz s HIS 58 CO 0.48 -0.55 1.75 1.49 -0.85 0.00 0.00 174.74 177.07 1gtz h GLU 59 N 7.82 0.35 0.00 1.40 4.81 -2.00 -1.01 114.58 125.96 1gtz h GLU 59 Ca -0.40 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.73 1gtz h GLU 59 Cb 1.17 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1gtz h GLU 59 CO 0.60 0.23 -0.41 0.78 -0.73 0.00 0.00 179.01 179.49 1gtz h GLY 60 N 0.36 0.00 1.41 1.92 0.00 -1.99 -1.73 103.07 103.04 1gtz h GLY 60 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.35 1gtz h GLY 60 CO -0.22 0.00 -0.79 -2.09 0.00 0.00 0.00 176.54 173.45 1gtz h GLU 61 N 0.00 0.57 -0.84 4.80 4.81 -1.70 -1.17 114.58 121.04 1gtz h GLU 61 Ca -0.00 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1gtz h GLU 61 Cb 0.72 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1gtz h GLU 61 CO 0.05 1.11 0.45 -0.07 -0.73 0.00 0.00 179.01 179.83 1gtz h LEU 62 N 0.38 1.06 -0.25 1.64 3.38 -0.68 0.56 115.31 121.39 1gtz h LEU 62 Ca -0.05 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1gtz h LEU 62 Cb 1.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1gtz h LEU 62 CO 0.15 0.86 0.08 0.58 0.09 0.00 0.00 178.44 180.20 1gtz h VAL 63 N 1.18 0.92 -0.72 1.22 2.07 -1.19 -1.95 116.25 117.79 1gtz h VAL 63 Ca 0.30 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.80 1gtz h VAL 63 Cb 0.04 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1gtz h VAL 63 CO -0.05 0.03 0.43 0.44 0.02 0.00 0.00 177.57 178.45 1gtz h ASP 64 N 0.19 0.67 0.14 0.57 3.32 -0.30 -0.98 116.42 120.04 1gtz h ASP 64 Ca 0.11 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1gtz h ASP 64 Cb 0.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1gtz h ASP 64 CO -0.12 0.45 -0.24 -0.50 -1.72 0.00 0.00 179.24 177.10 1gtz h TRP 65 N 0.81 0.20 -0.22 4.55 6.55 -0.58 -1.49 115.95 125.76 1gtz h TRP 65 Ca 0.31 -0.03 -0.07 0.00 0.95 0.00 0.00 58.89 60.04 1gtz h TRP 65 Cb 0.12 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.36 1gtz h TRP 65 CO -0.05 0.42 -0.15 0.82 -1.05 0.00 0.00 178.44 178.43 1gtz h ILE 66 N 0.17 1.31 -0.88 1.49 2.04 -0.77 -1.93 117.51 118.94 1gtz h ILE 66 Ca 0.03 -1.25 0.08 0.00 1.00 0.00 0.00 64.86 64.71 1gtz h ILE 66 Cb 0.53 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1gtz h ILE 66 CO 0.04 0.39 0.54 0.45 0.00 0.00 0.00 178.15 179.56 1gtz h HIS 67 N 0.20 0.98 0.23 1.37 3.86 -0.69 -0.81 115.15 120.29 1gtz h HIS 67 Ca 0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1gtz h HIS 67 Cb 0.66 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1gtz h HIS 67 CO 0.07 0.46 -0.20 1.49 0.86 0.00 0.00 177.93 180.61 1gtz h GLU 68 N 0.94 -0.43 -0.70 2.45 4.81 -1.07 -2.93 114.58 117.65 1gtz h GLU 68 Ca 0.40 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.72 1gtz h GLU 68 Cb 0.27 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1gtz h GLU 68 CO -0.21 -0.29 0.46 0.00 -0.73 0.00 0.00 179.01 178.24 1gtz h ALA 69 N 0.27 1.71 -1.00 2.92 0.00 -1.08 0.78 119.26 122.86 1gtz h ALA 69 Ca -0.01 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1gtz h ALA 69 Cb 0.41 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1gtz h ALA 69 CO -0.03 0.18 0.61 -0.09 0.00 0.00 0.00 179.25 179.93 1gtz h ARG 70 N 0.73 0.66 0.00 0.00 2.43 -0.96 -1.44 114.38 115.81 1gtz h ARG 70 Ca 0.30 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 1gtz h ARG 70 Cb 0.24 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1gtz h ARG 70 CO -0.10 0.44 -1.97 1.28 -1.51 0.00 0.00 179.97 178.11 1gtz n LEU 71 N -4.75 0.00 -0.06 3.80 4.77 -0.67 -4.77 117.00 115.31 1gtz n LEU 71 Ca 0.24 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1gtz n LEU 71 Cb 0.63 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1gtz n LEU 71 CO 0.22 0.23 0.17 0.59 -1.33 0.00 0.00 177.39 177.26 1gtz n ASN 72 N -2.38 0.75 -4.40 -1.43 3.02 0.18 -5.07 115.26 105.93 1gtz n ASN 72 Ca -0.16 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.30 1gtz n ASN 72 Cb 0.78 0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 40.27 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 1.94 -0.69 3.10 3.76 -0.57 -4.44 115.29 117.73 1gtz s HIS 73 Ca 0.02 -0.49 0.25 0.00 -0.15 0.00 0.00 55.06 54.70 1gtz s HIS 73 Cb 0.02 -0.88 0.65 0.00 1.11 0.00 0.00 32.58 33.48 1gtz s HIS 73 CO 0.06 0.49 1.64 0.00 -0.85 0.00 0.00 174.74 176.08 1gtz n GLY 75 N 1.31 0.33 3.00 0.00 0.00 -1.26 -4.43 105.19 104.13 1gtz n GLY 75 Ca 0.05 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 0.97 -0.22 -0.61 1.01 0.08 -1.34 121.20 119.09 1gtz s ILE 76 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 1gtz s ILE 76 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1gtz s ILE 76 CO 0.00 0.32 -0.01 -0.69 0.00 0.00 0.00 174.94 174.56 1gtz s VAL 77 N 0.66 3.68 -0.05 2.92 1.01 0.35 -0.96 120.40 128.01 1gtz s VAL 77 Ca -0.13 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1gtz s VAL 77 Cb -0.15 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1gtz s VAL 77 CO 0.03 0.40 -0.10 -0.51 0.00 0.00 0.00 175.10 174.92 1gtz s ILE 78 N 1.43 0.92 -0.51 2.22 2.07 0.70 -0.71 121.20 127.32 1gtz s ILE 78 Ca 0.05 -0.37 -0.08 0.00 -1.41 0.00 0.00 60.65 58.84 1gtz s ILE 78 Cb -0.14 -0.86 0.13 0.00 0.13 0.00 0.00 42.46 41.72 1gtz s ILE 78 CO -0.01 0.30 0.37 0.21 -1.91 0.00 0.00 174.94 173.91 1gtz s ASN 79 N 0.62 5.68 0.43 4.50 3.84 -0.42 -1.03 114.94 128.55 1gtz s ASN 79 Ca -0.11 -2.09 0.28 0.00 0.21 0.00 0.00 52.86 51.14 1gtz s ASN 79 Cb -0.14 -1.99 0.93 0.00 -0.55 0.00 0.00 41.25 39.50 1gtz s ASN 79 CO 0.02 -0.63 1.80 -0.65 -2.79 0.00 0.00 177.10 174.85 1gtz h PRO 80 N 8.20 0.00 0.00 0.43 0.11 -1.82 -0.20 132.00 138.72 1gtz h PRO 80 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1gtz h PRO 80 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1gtz h PRO 80 CO 0.82 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.61 1gtz n ALA 81 N -2.00 0.00 -0.33 -0.75 0.00 -1.26 -2.21 120.51 113.96 1gtz n ALA 81 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1gtz n ALA 81 Cb 0.38 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.77 1.27 0.00 0.00 0.00 -1.94 -1.86 119.26 115.96 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 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1gtz h ALA 82 CO 0.00 0.30 0.00 0.66 0.00 0.00 0.00 179.25 180.21 1gtz n TYR 83 N -4.60 0.19 -0.23 0.00 0.53 -0.94 -2.09 117.16 110.02 1gtz n TYR 83 Ca 0.14 0.09 -0.02 0.00 -1.02 0.00 0.00 57.90 57.09 1gtz n TYR 83 Cb 0.21 -0.65 0.09 0.00 -1.03 0.00 0.00 39.34 37.96 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 0.59 1.72 7.72 0.02 -1.42 0.18 113.55 122.36 1gtz h SER 84 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1gtz h SER 84 Cb 0.04 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1gtz h SER 84 CO 0.00 0.39 -0.28 0.45 -1.14 0.00 0.00 176.83 176.25 1gtz h HIS 85 N 0.72 0.00 0.00 3.45 3.86 -1.61 0.15 115.15 121.73 1gtz h HIS 85 Ca 0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1gtz h HIS 85 Cb 0.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1gtz h HIS 85 CO -0.07 0.01 -1.07 0.25 0.86 0.00 0.00 177.93 177.92 1gtz n THR 86 N -2.99 0.03 -3.35 2.45 -2.24 -0.98 -4.78 114.28 102.41 1gtz n THR 86 Ca 0.03 -0.04 -0.45 0.00 -2.27 0.00 0.00 64.05 61.32 1gtz n THR 86 Cb 0.54 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.55 6.13 0.31 3.42 0.15 0.01 -4.82 113.70 116.36 1gtz s SER 87 Ca -0.01 -1.84 0.08 0.00 0.70 0.00 0.00 55.95 54.88 1gtz s SER 87 Cb 0.01 -2.18 0.52 0.00 -1.71 0.00 0.00 66.02 62.66 1gtz s SER 87 CO 0.05 -0.82 1.73 0.58 1.20 0.00 0.00 173.24 175.98 1gtz h VAL 88 N 5.89 1.30 -0.92 4.45 2.07 -1.95 -2.89 116.25 124.21 1gtz h VAL 88 Ca -0.27 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 65.82 1gtz h VAL 88 Cb 1.09 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 1gtz h VAL 88 CO 1.00 0.43 0.60 0.00 0.02 0.00 0.00 177.57 179.62 1gtz h ALA 89 N 1.44 1.20 0.05 1.67 0.00 -1.98 -0.15 119.26 121.49 1gtz h ALA 89 Ca 0.02 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1gtz h ALA 89 Cb 0.77 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1gtz h ALA 89 CO 0.06 0.49 -1.05 0.82 0.00 0.00 0.00 179.25 179.57 1gtz h ILE 90 N 1.18 1.54 0.01 0.00 2.04 -1.89 -1.28 117.51 119.12 1gtz h ILE 90 Ca 0.36 -2.97 0.03 0.00 1.00 0.00 0.00 64.86 63.28 1gtz h ILE 90 Cb -0.04 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 1gtz h ILE 90 CO -0.11 0.86 -0.19 0.25 0.00 0.00 0.00 178.15 178.97 1gtz h LEU 91 N 0.08 -0.55 -0.68 1.44 5.85 -1.26 -1.21 115.31 118.97 1gtz h LEU 91 Ca -0.07 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1gtz h LEU 91 Cb 1.75 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 1gtz h LEU 91 CO 0.16 -0.26 0.45 0.44 -0.34 0.00 0.00 178.44 178.90 1gtz h ASP 92 N -0.31 0.78 -0.44 1.25 3.32 -0.89 -0.80 116.42 119.33 1gtz h ASP 92 Ca 0.05 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.17 1gtz h ASP 92 Cb 0.38 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 1gtz h ASP 92 CO -0.17 0.56 -0.09 0.00 -1.72 0.00 0.00 179.24 177.82 1gtz h ALA 93 N 1.25 0.32 -0.11 3.45 0.00 -0.72 -2.38 119.26 121.07 1gtz h ALA 93 Ca 0.25 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1gtz h ALA 93 Cb -0.10 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1gtz h ALA 93 CO -0.06 -0.44 -0.14 -0.07 0.00 0.00 0.00 179.25 178.55 1gtz h LEU 94 N 0.02 0.16 -1.45 0.00 3.38 -0.70 -1.52 115.31 115.20 1gtz h LEU 94 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1gtz h LEU 94 Cb 0.33 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1gtz h LEU 94 CO -0.44 0.32 0.00 0.78 0.09 0.00 0.00 178.44 179.19 1gtz h ASN 95 N 0.17 0.00 0.97 -0.43 -0.26 -0.66 -2.45 115.58 112.91 1gtz h ASN 95 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1gtz h ASN 95 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1gtz h ASN 95 CO 0.02 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 176.74 1gtz n THR 96 N -2.97 0.42 -2.87 2.81 -2.24 -0.57 -4.41 114.28 104.45 1gtz n THR 96 Ca 0.01 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 1gtz n THR 96 Cb 0.28 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 3.16 2.95 0.00 0.00 2.03 -1.26 -2.22 116.55 121.22 1gtz n ASP 98 Ca 0.32 0.52 0.00 0.00 0.52 0.00 0.00 54.79 56.15 1gtz n ASP 98 Cb 0.37 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 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 5.59 1.03 3.69 0.27 0.00 -1.26 -5.00 105.19 109.52 1gtz n GLY 99 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 4.29 0.19 0.99 2.96 -0.94 -4.99 118.68 121.18 1gtz s LEU 100 Ca 0.00 1.64 -0.32 0.00 -0.22 0.00 0.00 54.13 55.23 1gtz s LEU 100 Cb 0.00 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 43.01 1gtz s LEU 100 CO 0.00 -0.44 1.76 -0.81 -1.32 0.00 0.00 176.35 175.54 1gtz n PRO 101 N 4.74 2.80 -4.49 0.98 -0.05 -1.26 -4.93 135.00 132.79 1gtz n PRO 101 Ca 0.09 1.01 -0.23 0.00 -0.05 0.00 0.00 63.50 64.32 1gtz n PRO 101 Cb 0.49 -2.88 -0.16 0.00 -0.05 0.00 0.00 33.50 30.90 1gtz n PRO 101 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1gtz s VAL 102 N 1.56 0.99 -0.11 0.52 1.01 -1.26 -0.75 120.40 122.37 1gtz s VAL 102 Ca 0.77 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1gtz s VAL 102 Cb -0.49 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1gtz s VAL 102 CO 0.33 0.32 -0.17 -0.69 0.00 0.00 0.00 175.10 174.90 1gtz s VAL 103 N 0.70 1.60 -0.14 2.92 1.01 -0.14 -0.78 120.40 125.57 1gtz s VAL 103 Ca -0.14 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1gtz s VAL 103 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1gtz s VAL 103 CO 0.03 0.46 0.48 -0.70 0.00 0.00 0.00 175.10 175.37 1gtz s GLU 104 N 0.90 4.30 -0.03 2.72 2.12 -0.62 -0.22 118.70 127.87 1gtz s GLU 104 Ca -0.08 0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.71 1gtz s GLU 104 Cb -0.15 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 30.77 1gtz s GLU 104 CO -0.01 0.09 -0.16 0.08 -0.54 0.00 0.00 175.26 174.72 1gtz s VAL 105 N 0.85 1.31 -0.10 3.70 1.01 -0.20 -1.27 120.40 125.71 1gtz s VAL 105 Ca 0.25 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1gtz s VAL 105 Cb -0.15 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1gtz s VAL 105 CO 0.10 0.38 -0.13 -1.00 0.00 0.00 0.00 175.10 174.44 1gtz s HIS 106 N -0.05 1.76 0.06 5.22 3.76 -0.26 -4.01 115.29 121.78 1gtz s HIS 106 Ca -0.01 -0.78 -0.22 0.00 -0.15 0.00 0.00 55.06 53.90 1gtz s HIS 106 Cb -0.10 -1.29 -0.13 0.00 1.11 0.00 0.00 32.58 32.16 1gtz s HIS 106 CO 0.01 -0.42 1.57 0.82 -0.85 0.00 0.00 174.74 175.87 1gtz h ILE 107 N 5.99 1.17 -3.35 0.60 2.04 -1.85 -1.53 117.51 120.58 1gtz h ILE 107 Ca -0.31 -0.53 -0.50 0.00 1.00 0.00 0.00 64.86 64.53 1gtz h ILE 107 Cb 1.17 1.35 0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1gtz h ILE 107 CO 0.47 0.15 -0.02 -0.94 0.00 0.00 0.00 178.15 177.82 1gtz s SER 108 N -5.53 6.38 -0.95 1.72 1.04 -1.26 -2.04 113.70 113.06 1gtz s SER 108 Ca -0.14 0.82 -0.23 0.00 0.48 0.00 0.00 55.95 56.89 1gtz s SER 108 Cb 0.06 -2.19 0.06 0.00 0.10 0.00 0.00 66.02 64.04 1gtz s SER 108 CO 0.69 -0.37 1.35 0.21 0.98 0.00 0.00 173.24 176.10 1gtz s ASN 109 N -3.59 6.46 0.53 7.02 3.84 -1.26 -2.16 114.94 125.78 1gtz s ASN 109 Ca 0.46 -1.41 0.30 0.00 0.21 0.00 0.00 52.86 52.42 1gtz s ASN 109 Cb -0.10 -2.53 1.45 0.00 -0.55 0.00 0.00 41.25 39.52 1gtz s ASN 109 CO 0.36 -1.47 1.90 0.16 -2.79 0.00 0.00 177.10 175.26 1gtz h ILE 110 N 6.49 0.58 0.00 -5.21 3.07 -1.93 -1.24 117.51 119.28 1gtz h ILE 110 Ca 0.11 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.51 1gtz h ILE 110 Cb 1.02 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1gtz h ILE 110 CO 1.34 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.86 1gtz n HIS 111 N -4.30 0.62 1.11 0.16 8.25 -1.26 -1.48 115.22 118.32 1gtz n HIS 111 Ca 0.18 0.23 0.12 0.00 -0.26 0.00 0.00 57.72 57.99 1gtz n HIS 111 Cb 0.91 -0.87 0.18 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.05 1.82 0.00 -0.41 6.02 -0.47 -4.96 117.38 117.33 1gtz n GLN 112 Ca 0.03 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.61 1gtz n GLN 112 Cb 0.24 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 0.64 3.48 -2.03 -1.09 1.74 -0.55 -5.07 116.66 113.79 1gtz n ARG 113 Ca 0.14 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.87 1gtz n ARG 113 Cb 0.50 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.97 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 3.45 3.03 0.55 5.56 8.01 -1.26 -4.90 118.70 133.14 1gtz s GLU 114 Ca 0.00 1.67 0.26 0.00 0.01 0.00 0.00 54.97 56.91 1gtz s GLU 114 Cb 0.00 -1.96 1.58 0.00 -4.31 0.00 0.00 34.13 29.45 1gtz s GLU 114 CO 0.00 -1.12 2.17 -1.35 0.01 0.00 0.00 175.26 174.97 1gtz h PRO 115 N 0.78 0.00 0.00 0.39 0.11 -1.96 0.39 132.00 131.71 1gtz h PRO 115 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gtz h PRO 115 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1gtz h PRO 115 CO 0.55 0.05 0.00 1.97 -0.21 0.00 0.00 178.00 180.37 1gtz n PHE 116 N -3.90 0.57 1.36 0.65 1.16 -1.26 -1.74 117.46 114.29 1gtz n PHE 116 Ca -0.03 0.22 0.13 0.00 -1.87 0.00 0.00 57.45 55.90 1gtz n PHE 116 Cb 0.14 -0.85 0.44 0.00 -1.61 0.00 0.00 39.48 37.61 1gtz n PHE 116 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1gtz n ARG 117 N -2.01 1.23 0.19 3.97 1.74 0.14 -4.31 116.66 117.59 1gtz n ARG 117 Ca 0.03 -0.72 0.07 0.00 -0.77 0.00 0.00 57.85 56.46 1gtz n ARG 117 Cb 0.23 -1.49 0.26 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.76 0.00 -3.59 -1.55 3.86 -1.41 -3.44 115.15 110.78 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 0.51 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.80 1gtz h HIS 118 CO 0.00 0.33 -0.68 -1.58 0.86 0.00 0.00 177.93 176.86 1gtz s HIS 119 N -3.35 2.96 -0.10 2.45 5.65 -1.26 -4.91 115.29 116.73 1gtz s HIS 119 Ca 0.02 0.04 0.02 0.00 0.25 0.00 0.00 55.06 55.39 1gtz s HIS 119 Cb 0.09 -1.70 0.01 0.00 -1.18 0.00 0.00 32.58 29.80 1gtz s HIS 119 CO 0.69 0.37 -0.16 0.45 -0.65 0.00 0.00 174.74 175.43 1gtz s SER 120 N -1.00 2.40 0.25 9.88 0.15 -1.26 -4.31 113.70 119.81 1gtz s SER 120 Ca 0.14 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 1gtz s SER 120 Cb -0.11 -1.09 0.30 0.00 -1.71 0.00 0.00 66.02 63.41 1gtz s SER 120 CO 0.03 0.05 1.74 1.88 1.20 0.00 0.00 173.24 178.14 1gtz h TYR 121 N 7.14 0.87 -0.91 3.44 -1.99 -0.99 -3.14 116.97 121.39 1gtz h TYR 121 Ca -0.29 -0.13 0.06 0.00 2.00 0.00 0.00 58.73 60.38 1gtz h TYR 121 Cb 1.19 -0.23 -0.06 0.00 2.00 0.00 0.00 36.73 39.62 1gtz h TYR 121 CO 0.48 0.81 0.57 0.28 -0.00 0.00 0.00 178.16 180.30 1gtz h VAL 122 N 0.75 1.06 0.00 -2.88 2.07 -1.86 -2.72 116.25 112.68 1gtz h VAL 122 Ca 0.14 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1gtz h VAL 122 Cb 0.49 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1gtz h VAL 122 CO 0.02 0.19 0.13 0.77 0.02 0.00 0.00 177.57 178.71 1gtz h SER 123 N 1.04 0.00 1.20 0.57 4.64 -1.90 -0.47 113.55 118.64 1gtz h SER 123 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1gtz h SER 123 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1gtz h SER 123 CO -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.79 1gtz n GLN 124 N -2.84 0.13 -0.04 4.77 10.64 -1.02 -3.73 117.38 125.29 1gtz n GLN 124 Ca -0.02 0.12 -0.04 0.00 -1.83 0.00 0.00 57.00 55.23 1gtz n GLN 124 Cb 0.19 -1.66 -0.05 0.00 -0.86 0.00 0.00 30.24 27.86 1gtz n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1gtz n ARG 125 N -1.89 2.00 -1.64 2.61 3.00 -0.42 -5.03 116.66 115.29 1gtz n ARG 125 Ca 0.06 0.01 -0.45 0.00 -0.00 0.00 0.00 57.85 57.47 1gtz n ARG 125 Cb 0.37 -1.19 -0.03 0.00 0.00 0.00 0.00 32.46 31.62 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 -2.43 0.43 0.00 5.13 0.00 -0.32 -4.90 120.51 118.43 1gtz n ALA 126 Ca -0.13 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1gtz n ALA 126 Cb 0.72 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 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 3.44 0.06 -3.17 0.00 3.32 -1.30 -3.46 116.42 115.31 1gtz h ASP 127 Ca -0.44 -0.18 -0.48 0.00 0.02 0.00 0.00 57.03 55.95 1gtz h ASP 127 Cb 1.30 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 1gtz h ASP 127 CO 0.70 0.23 -0.75 -0.83 -1.72 0.00 0.00 179.24 176.87 1gtz s GLY 128 N -2.60 1.47 -0.07 2.75 0.00 -1.20 -5.07 107.32 102.60 1gtz s GLY 128 Ca -0.14 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 42.91 1gtz s GLY 128 CO 0.68 -1.73 0.09 0.14 0.00 0.00 0.00 173.10 172.28 1gtz s VAL 129 N -2.71 -0.15 -0.13 1.40 1.01 -1.26 -1.59 120.40 116.97 1gtz s VAL 129 Ca 0.22 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1gtz s VAL 129 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1gtz s VAL 129 CO 0.08 0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 174.50 1gtz s VAL 130 N 2.20 3.39 -0.01 2.92 1.01 -0.40 -5.00 120.40 124.52 1gtz s VAL 130 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1gtz s VAL 130 Cb -0.13 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1gtz s VAL 130 CO -0.05 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 1gtz s ALA 131 N 0.27 0.35 -0.02 5.51 0.00 -1.26 -1.10 121.76 125.51 1gtz s ALA 131 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1gtz s ALA 131 Cb -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1gtz s ALA 131 CO 0.04 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1gtz n GLY 132 N 3.22 0.46 1.80 0.00 0.00 -0.57 -4.75 105.19 105.35 1gtz n GLY 132 Ca -0.16 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 0.61 0.03 0.16 0.00 0.00 -0.87 -2.79 105.19 102.33 1gtz n GLY 134 Ca 0.26 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.33 116.25 112.14 1gtz h VAL 135 Ca 0.00 -0.48 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1gtz h VAL 135 Cb 0.00 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1gtz h VAL 135 CO 0.00 0.00 -0.01 -0.61 -1.23 0.00 0.00 177.57 175.72 1gtz h GLN 136 N 0.00 0.00 0.00 5.19 4.15 -1.94 -0.52 115.11 121.99 1gtz h GLN 136 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1gtz h GLN 136 Cb 0.61 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 1gtz h GLN 136 CO 0.00 0.01 -0.07 0.78 -1.93 0.00 0.00 178.83 177.63 1gtz h GLY 137 N 0.30 0.00 1.85 2.39 0.00 -1.31 -0.57 103.07 105.73 1gtz h GLY 137 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1gtz h GLY 137 CO 0.00 0.00 -0.53 -0.97 0.00 0.00 0.00 176.54 175.04 1gtz h TYR 138 N 0.00 0.20 -0.51 5.60 -1.99 -1.28 -1.28 116.97 117.71 1gtz h TYR 138 Ca -0.00 -0.07 -0.10 0.00 2.00 0.00 0.00 58.73 60.56 1gtz h TYR 138 Cb 0.12 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 1gtz h TYR 138 CO 0.00 0.66 -0.06 0.28 -0.00 0.00 0.00 178.16 179.04 1gtz h VAL 139 N 0.13 1.27 -0.50 -2.88 2.07 -1.24 -0.49 116.25 114.61 1gtz h VAL 139 Ca 0.00 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.42 1gtz h VAL 139 Cb 0.98 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 1gtz h VAL 139 CO 0.08 0.41 0.13 -0.26 0.02 0.00 0.00 177.57 177.95 1gtz h PHE 140 N 0.80 0.22 -0.14 1.57 0.05 -1.19 0.12 116.94 118.37 1gtz h PHE 140 Ca 0.14 0.03 0.05 0.00 3.82 0.00 0.00 57.97 62.00 1gtz h PHE 140 Cb 0.60 -0.02 -0.06 0.00 2.00 0.00 0.00 35.95 38.47 1gtz h PHE 140 CO 0.04 0.03 -0.27 0.78 -0.18 0.00 0.00 178.31 178.72 1gtz h GLY 141 N 0.28 -0.30 0.80 -1.45 0.00 -0.77 -0.15 103.07 101.47 1gtz h GLY 141 Ca 0.25 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.94 1gtz h GLY 141 CO -0.30 -0.21 0.29 -2.08 0.00 0.00 0.00 176.54 174.24 1gtz h VAL 142 N -0.33 1.00 -0.91 4.60 2.07 -0.48 -0.56 116.25 121.64 1gtz h VAL 142 Ca 0.10 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1gtz h VAL 142 Cb 0.49 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1gtz h VAL 142 CO -0.33 0.10 0.59 -0.33 0.02 0.00 0.00 177.57 177.63 1gtz h GLU 143 N 0.57 1.04 -0.27 1.57 5.08 -0.49 -1.00 114.58 121.07 1gtz h GLU 143 Ca 0.22 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1gtz h GLU 143 Cb 0.08 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1gtz h GLU 143 CO -0.13 0.69 -0.50 -0.09 -1.00 0.00 0.00 179.01 177.98 1gtz h ARG 144 N 1.07 0.76 -0.54 2.33 9.65 -0.66 -1.73 114.38 125.26 1gtz h ARG 144 Ca 0.38 -0.45 -0.11 0.00 -1.10 0.00 0.00 59.98 58.70 1gtz h ARG 144 Cb 0.14 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1gtz h ARG 144 CO -0.13 1.08 -0.09 0.82 2.80 0.00 0.00 179.97 184.44 1gtz h ILE 145 N 0.60 1.27 -0.23 1.20 1.08 -0.59 -1.51 117.51 119.32 1gtz h ILE 145 Ca 0.03 -1.24 0.05 0.00 -0.39 0.00 0.00 64.86 63.30 1gtz h ILE 145 Cb 1.07 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.71 1gtz h ILE 145 CO 0.11 0.44 -0.07 0.00 -0.69 0.00 0.00 178.15 177.93 1gtz h ALA 146 N 0.98 0.14 -0.86 1.87 0.00 -1.08 0.13 119.26 120.43 1gtz h ALA 146 Ca 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1gtz h ALA 146 Cb 0.65 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1gtz h ALA 146 CO 0.04 -0.48 0.42 0.00 0.00 0.00 0.00 179.25 179.23 1gtz h ALA 147 N 1.21 1.12 0.01 0.00 0.00 -0.84 -1.49 119.26 119.25 1gtz h ALA 147 Ca 0.12 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1gtz h ALA 147 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gtz h ALA 147 CO -0.25 0.67 -0.89 -0.07 0.00 0.00 0.00 179.25 178.71 1gtz h LEU 148 N 1.23 0.24 0.00 0.00 3.38 -0.92 -3.04 115.31 116.20 1gtz h LEU 148 Ca 0.30 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1gtz h LEU 148 Cb 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1gtz h LEU 148 CO -0.04 1.01 -0.19 0.00 0.09 0.00 0.00 178.44 179.32 1gtz h ALA 149 N 0.97 0.89 -0.01 1.53 0.00 -0.76 -3.49 119.26 118.40 1gtz h ALA 149 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gtz h ALA 149 Cb 1.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1gtz h ALA 149 CO 0.13 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.98