#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 5.53 0.56 0.55 1.04 -1.26 -4.67 113.70 115.44 1gtz s SER 3 Ca 0.00 0.87 0.28 0.00 0.48 0.00 0.00 55.95 57.58 1gtz s SER 3 Cb 0.00 -1.79 1.65 0.00 0.10 0.00 0.00 66.02 65.98 1gtz s SER 3 CO 0.00 -1.18 2.17 -0.07 0.98 0.00 0.00 173.24 175.15 1gtz h LEU 4 N -0.36 0.00 -0.77 2.42 4.07 -1.93 -2.57 115.31 116.16 1gtz h LEU 4 Ca -0.45 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.42 1gtz h LEU 4 Cb 1.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 1gtz h LEU 4 CO 0.62 0.05 -0.42 0.00 -1.08 0.00 0.00 178.44 177.62 1gtz h ALA 5 N 1.95 0.93 0.00 1.53 0.00 -1.89 -3.32 119.26 118.45 1gtz h ALA 5 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1gtz h ALA 5 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1gtz h ALA 5 CO 0.01 0.52 -1.64 0.09 0.00 0.00 0.00 179.25 178.23 1gtz n ASN 6 N -3.49 0.31 -3.63 0.00 5.03 -1.00 -5.01 115.26 107.46 1gtz n ASN 6 Ca 0.00 -0.15 -0.15 0.00 0.87 0.00 0.00 54.58 55.15 1gtz n ASN 6 Cb 0.56 1.56 -0.07 0.00 -1.02 0.00 0.00 39.78 40.81 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 -3.39 -1.26 0.76 5.41 0.00 -1.05 -5.00 121.76 117.23 1gtz s ALA 7 Ca -0.03 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1gtz s ALA 7 Cb 0.14 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1gtz s ALA 7 CO 0.88 -0.35 1.08 -1.25 0.00 0.00 0.00 175.76 176.12 1gtz s PRO 8 N -1.51 2.42 -0.11 0.00 0.04 -1.26 -4.15 135.00 130.44 1gtz s PRO 8 Ca -0.11 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 1gtz s PRO 8 Cb -0.02 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1gtz s PRO 8 CO 0.05 -1.47 0.85 0.42 0.04 0.00 0.00 177.00 176.89 1gtz s ILE 9 N -3.00 4.90 0.06 0.56 1.01 -0.36 -1.33 121.20 123.05 1gtz s ILE 9 Ca 0.60 1.72 -0.25 0.00 0.00 0.00 0.00 60.65 62.72 1gtz s ILE 9 Cb -0.16 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.09 1gtz s ILE 9 CO 0.55 0.10 0.76 -0.32 0.00 0.00 0.00 174.94 176.03 1gtz s MET 10 N 1.64 4.49 -0.31 2.79 -2.45 -0.27 -1.04 119.30 124.15 1gtz s MET 10 Ca 0.42 1.06 0.03 0.00 -1.25 0.00 0.00 55.69 55.95 1gtz s MET 10 Cb -0.18 -3.35 0.09 0.00 1.25 0.00 0.00 34.83 32.64 1gtz s MET 10 CO 0.17 0.33 0.02 0.42 1.05 0.00 0.00 175.02 177.01 1gtz s ILE 11 N -0.22 1.96 -0.08 10.11 1.01 -0.02 -0.68 121.20 133.29 1gtz s ILE 11 Ca 0.38 -1.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.04 1gtz s ILE 11 Cb -0.21 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1gtz s ILE 11 CO 0.23 -0.46 0.04 -0.76 0.00 0.00 0.00 174.94 173.99 1gtz s LEU 12 N 1.10 3.79 -0.10 2.97 1.43 -0.07 -0.89 118.68 126.91 1gtz s LEU 12 Ca 0.06 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1gtz s LEU 12 Cb -0.19 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1gtz s LEU 12 CO -0.10 0.37 -0.14 0.20 0.23 0.00 0.00 176.35 176.91 1gtz s ASN 13 N -1.06 2.30 0.33 2.29 0.01 -0.76 -0.89 114.94 117.16 1gtz s ASN 13 Ca 0.15 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1gtz s ASN 13 Cb -0.12 -1.02 0.00 0.00 0.41 0.00 0.00 41.25 40.53 1gtz s ASN 13 CO 0.05 0.00 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 1gtz n GLY 14 N 4.24 -0.82 3.77 0.66 0.00 0.85 -1.54 105.19 112.34 1gtz n GLY 14 Ca -0.19 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.97 3.80 0.00 1.61 0.04 -1.06 -3.05 135.00 135.37 1gtz s PRO 15 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1gtz s PRO 15 Cb 0.00 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1gtz s PRO 15 CO 0.00 -0.58 0.00 0.09 0.04 0.00 0.00 177.00 176.55 1gtz n ASN 16 N -0.23 0.00 0.30 6.66 3.02 -1.26 -4.56 115.26 119.19 1gtz n ASN 16 Ca 0.06 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.80 1gtz n ASN 16 Cb 0.46 -0.26 0.87 0.00 -0.61 0.00 0.00 39.78 40.24 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 -1.62 3.41 3.38 -1.90 -1.39 115.31 117.18 1gtz h LEU 17 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1gtz h LEU 17 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1gtz h LEU 17 CO 0.00 0.01 0.46 -0.55 0.09 0.00 0.00 178.44 178.45 1gtz h ASN 18 N 0.00 0.37 -0.08 -0.43 -1.07 -1.87 -1.54 115.58 110.95 1gtz h ASN 18 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.39 1gtz h ASN 18 Cb 0.33 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 1gtz h ASN 18 CO 0.00 0.21 0.00 0.18 0.07 0.00 0.00 177.43 177.89 1gtz n LEU 19 N -4.47 0.54 -4.68 6.14 4.77 -0.52 -4.85 117.00 113.92 1gtz n LEU 19 Ca 0.12 -0.25 -0.45 0.00 -0.03 0.00 0.00 56.01 55.41 1gtz n LEU 19 Cb 0.46 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1gtz n LEU 19 CO 0.33 0.13 1.39 -0.11 -1.33 0.00 0.00 177.39 177.80 1gtz n LEU 20 N -0.30 3.64 0.00 2.23 7.94 -0.58 -1.09 117.00 128.84 1gtz n LEU 20 Ca 0.08 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 1gtz n LEU 20 Cb 0.11 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.59 1gtz n LEU 20 CO 0.06 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 1gtz n GLY 21 N 4.01 1.74 0.06 -3.96 0.00 -1.13 -3.90 105.19 102.02 1gtz n GLY 21 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 1.10 -4.19 1.61 6.02 -0.25 -4.68 117.38 114.99 1gtz n GLN 22 Ca 0.00 0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.74 1gtz n GLN 22 Cb 0.00 -1.28 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.27 3.08 -0.93 -1.58 0.00 -0.74 -4.78 121.76 114.54 1gtz s ALA 23 Ca -0.13 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.39 1gtz s ALA 23 Cb 0.04 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.19 1gtz s ALA 23 CO 0.37 0.66 0.54 1.04 0.00 0.00 0.00 175.76 178.37 1gtz n GLN 24 N 0.62 -0.53 0.25 0.00 6.02 -1.26 -4.73 117.38 117.75 1gtz n GLN 24 Ca -0.12 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.06 1gtz n GLN 24 Cb 0.52 -1.81 0.65 0.00 1.02 0.00 0.00 30.24 30.62 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 -1.32 0.00 0.00 -1.09 0.13 -1.87 -0.21 132.00 127.64 1gtz h PRO 25 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1gtz h PRO 25 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1gtz h PRO 25 CO 0.40 0.16 0.00 1.05 -0.23 0.00 0.00 178.00 179.38 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.87 -0.03 114.58 122.62 1gtz h GLU 26 Ca -0.00 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.05 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 0.02 0.00 -2.30 -0.89 0.05 0.00 0.00 179.01 175.89 1gtz n ILE 27 N -2.92 1.29 0.02 -1.06 5.41 -0.25 -4.78 119.36 117.06 1gtz n ILE 27 Ca 0.02 -0.44 0.04 0.00 1.00 0.00 0.00 62.75 63.37 1gtz n ILE 27 Cb 0.34 -1.47 0.08 0.00 -0.71 0.00 0.00 39.64 37.88 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 -3.46 0.22 0.00 1.39 4.02 -0.26 -4.70 117.16 114.36 1gtz n TYR 28 Ca -0.42 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.12 1gtz n TYR 28 Cb 0.89 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 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 0.28 -0.58 0.53 2.72 0.00 -0.03 -4.76 105.19 103.35 1gtz n GLY 29 Ca 0.07 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.65 2.15 -4.77 1.61 7.64 -1.26 -3.90 113.62 114.44 1gtz n SER 30 Ca 0.00 -1.57 -0.38 0.00 1.01 0.00 0.00 58.87 57.92 1gtz n SER 30 Cb 0.00 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.06 7.17 0.54 6.43 1.01 -1.26 -4.65 116.67 124.85 1gtz s ASP 31 Ca 0.16 2.04 0.02 0.00 0.71 0.00 0.00 52.55 55.48 1gtz s ASP 31 Cb 0.11 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.47 1gtz s ASP 31 CO 0.16 -0.20 0.76 0.42 0.21 0.00 0.00 175.17 176.53 1gtz s THR 32 N -1.44 2.69 0.30 -1.27 -4.23 -1.26 -2.84 115.64 107.59 1gtz s THR 32 Ca 0.50 -0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1gtz s THR 32 Cb -0.24 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.87 1gtz s THR 32 CO 0.31 0.00 1.93 0.25 -0.54 0.00 0.00 174.62 176.57 1gtz h LEU 33 N 0.11 0.93 -0.97 4.79 5.85 -1.83 -0.67 115.31 123.52 1gtz h LEU 33 Ca -0.42 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1gtz h LEU 33 Cb 1.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1gtz h LEU 33 CO 0.51 0.63 0.63 0.00 -0.34 0.00 0.00 178.44 179.87 1gtz h ALA 34 N 1.49 1.23 -0.62 1.25 0.00 -1.94 0.61 119.26 121.28 1gtz h ALA 34 Ca 0.36 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1gtz h ALA 34 Cb 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1gtz h ALA 34 CO -0.12 0.64 0.39 -0.44 0.00 0.00 0.00 179.25 179.72 1gtz h ASP 35 N 1.32 0.66 -0.75 0.00 3.32 -1.66 -1.61 116.42 117.70 1gtz h ASP 35 Ca 0.35 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 1gtz h ASP 35 Cb -0.13 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1gtz h ASP 35 CO -0.07 0.47 0.26 0.58 -1.72 0.00 0.00 179.24 178.76 1gtz h VAL 36 N 0.79 1.26 -0.56 -1.35 2.07 -0.65 -2.01 116.25 115.80 1gtz h VAL 36 Ca 0.24 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1gtz h VAL 36 Cb -0.03 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1gtz h VAL 36 CO -0.08 0.34 0.28 -0.08 0.02 0.00 0.00 177.57 178.05 1gtz h GLU 37 N 1.09 0.80 -0.46 1.57 4.81 -0.32 -2.25 114.58 119.82 1gtz h GLU 37 Ca 0.24 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1gtz h GLU 37 Cb 0.27 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1gtz h GLU 37 CO -0.01 0.64 0.17 0.00 -0.73 0.00 0.00 179.01 179.07 1gtz h ALA 38 N 1.12 0.55 -0.08 2.92 0.00 -1.16 -0.41 119.26 122.20 1gtz h ALA 38 Ca 0.19 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1gtz h ALA 38 Cb 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1gtz h ALA 38 CO -0.03 -0.22 -0.21 -0.07 0.00 0.00 0.00 179.25 178.73 1gtz h LEU 39 N 0.35 -0.63 -0.53 0.00 3.38 -0.94 -2.44 115.31 114.50 1gtz h LEU 39 Ca 0.21 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.38 1gtz h LEU 39 Cb 0.20 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1gtz h LEU 39 CO -0.21 -0.27 0.08 0.00 0.09 0.00 0.00 178.44 178.14 1gtz h VAL 41 N 0.21 1.19 -0.19 0.00 2.07 -0.93 0.23 116.25 118.85 1gtz h VAL 41 Ca 0.27 -0.42 -0.20 0.00 0.82 0.00 0.00 66.70 67.17 1gtz h VAL 41 Cb 0.39 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1gtz h VAL 41 CO -0.38 0.22 -0.68 0.50 0.02 0.00 0.00 177.57 177.26 1gtz h LYS 42 N 1.22 0.79 -0.15 1.57 3.64 -1.31 -0.10 116.57 122.22 1gtz h LYS 42 Ca 0.36 -0.60 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1gtz h LYS 42 Cb -0.07 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1gtz h LYS 42 CO -0.10 1.21 -0.00 0.00 -2.27 0.00 0.00 179.45 178.29 1gtz h ALA 43 N 0.58 0.20 -0.76 5.00 0.00 -1.05 -2.79 119.26 120.43 1gtz h ALA 43 Ca -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1gtz h ALA 43 Cb 1.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1gtz h ALA 43 CO 0.14 -0.10 0.31 0.00 0.00 0.00 0.00 179.25 179.61 1gtz h ALA 44 N 0.75 1.11 -0.37 0.00 0.00 -0.84 -3.11 119.26 116.81 1gtz h ALA 44 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1gtz h ALA 44 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1gtz h ALA 44 CO 0.01 0.64 0.24 0.00 0.00 0.00 0.00 179.25 180.14 1gtz h ALA 45 N 1.23 1.81 0.00 0.00 0.00 -0.75 0.47 119.26 122.02 1gtz h ALA 45 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1gtz h ALA 45 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gtz h ALA 45 CO -0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1gtz h ALA 46 N 1.78 1.00 -0.12 0.00 0.00 -1.43 -2.07 119.26 118.42 1gtz h ALA 46 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gtz h ALA 46 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1gtz h ALA 46 CO -0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1gtz n HIS 47 N -2.52 0.15 -1.21 0.00 8.25 -0.22 -4.95 115.22 114.71 1gtz n HIS 47 Ca -0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1gtz n HIS 47 Cb 0.15 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 0.83 0.46 2.49 -1.41 0.00 -0.78 -4.85 105.19 101.94 1gtz n GLY 48 Ca 0.10 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.29 3.05 3.20 -0.02 0.00 -0.01 -4.35 105.19 104.77 1gtz n GLY 49 Ca 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.89 0.03 0.06 2.61 -4.23 -1.26 -3.37 115.64 107.59 1gtz s THR 50 Ca 0.16 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 1gtz s THR 50 Cb -0.01 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1gtz s THR 50 CO 0.10 -0.12 -0.15 0.68 -0.54 0.00 0.00 174.62 174.59 1gtz s VAL 51 N -4.12 1.19 -0.36 2.29 -7.23 -1.26 -1.22 120.40 109.68 1gtz s VAL 51 Ca 0.34 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 1gtz s VAL 51 Cb 0.07 -1.11 0.10 0.00 0.56 0.00 0.00 36.38 36.01 1gtz s VAL 51 CO 0.09 -0.11 0.10 -0.62 -0.31 0.00 0.00 175.10 174.25 1gtz s ASP 52 N -1.52 4.89 -0.27 4.85 -1.08 -0.21 -4.87 116.67 118.46 1gtz s ASP 52 Ca 0.00 -2.15 -0.06 0.00 -0.52 0.00 0.00 52.55 49.82 1gtz s ASP 52 Cb -0.09 -1.68 -0.00 0.00 -1.46 0.00 0.00 42.92 39.68 1gtz s ASP 52 CO 0.02 -0.42 0.06 0.12 0.52 0.00 0.00 175.17 175.47 1gtz s PHE 53 N 0.93 3.10 0.08 -5.34 5.36 -1.26 -0.84 117.98 120.02 1gtz s PHE 53 Ca 0.10 -0.85 0.02 0.00 -0.96 0.00 0.00 56.93 55.24 1gtz s PHE 53 Cb -0.20 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 1gtz s PHE 53 CO -0.07 -0.52 -0.07 1.03 -1.46 0.00 0.00 175.22 174.13 1gtz s ARG 54 N 1.52 0.71 -0.01 10.12 0.52 -0.07 -4.99 118.95 126.75 1gtz s ARG 54 Ca 0.04 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1gtz s ARG 54 Cb -0.16 -0.19 -0.00 0.00 0.52 0.00 0.00 34.95 35.12 1gtz s ARG 54 CO 0.02 -0.01 -0.06 -1.14 0.02 0.00 0.00 175.30 174.13 1gtz s GLN 55 N -3.12 0.51 -0.03 3.54 -0.44 -1.26 -1.82 119.66 117.03 1gtz s GLN 55 Ca 0.04 -0.21 -0.08 0.00 -2.50 0.00 0.00 55.36 52.62 1gtz s GLN 55 Cb 0.01 -0.50 0.01 0.00 -1.64 0.00 0.00 33.01 30.89 1gtz s GLN 55 CO -0.04 0.12 0.17 0.45 0.50 0.00 0.00 175.29 176.49 1gtz s SER 56 N -0.07 -0.08 0.00 6.67 0.15 -0.59 -4.98 113.70 114.81 1gtz s SER 56 Ca 0.01 0.04 0.27 0.00 0.70 0.00 0.00 55.95 56.97 1gtz s SER 56 Cb -0.03 0.28 0.77 0.00 -1.71 0.00 0.00 66.02 65.33 1gtz s SER 56 CO -0.00 -0.26 1.58 0.59 1.20 0.00 0.00 173.24 176.35 1gtz n ASN 57 N 2.02 1.49 -4.55 5.45 3.02 -1.26 -2.57 115.26 118.86 1gtz n ASN 57 Ca -0.19 -1.30 -0.36 0.00 -0.03 0.00 0.00 54.58 52.70 1gtz n ASN 57 Cb 0.57 0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.72 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 -2.24 3.17 0.16 3.10 3.76 -1.26 -4.77 115.29 117.22 1gtz s HIS 58 Ca 0.30 -0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.89 1gtz s HIS 58 Cb 0.20 -2.20 0.07 0.00 1.11 0.00 0.00 32.58 31.77 1gtz s HIS 58 CO 0.42 -0.12 1.64 1.49 -0.85 0.00 0.00 174.74 177.33 1gtz h GLU 59 N 7.63 -0.13 0.00 1.40 4.81 -2.00 -2.36 114.58 123.92 1gtz h GLU 59 Ca -0.37 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1gtz h GLU 59 Cb 1.18 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1gtz h GLU 59 CO 0.62 -0.09 -0.16 0.78 -0.73 0.00 0.00 179.01 179.43 1gtz h GLY 60 N -0.14 0.00 1.47 1.92 0.00 -1.99 -0.80 103.07 103.54 1gtz h GLY 60 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.33 1gtz h GLY 60 CO -0.43 0.00 -0.65 -2.09 0.00 0.00 0.00 176.54 173.37 1gtz h GLU 61 N 0.00 0.54 -0.59 4.80 4.81 -1.86 -0.22 114.58 122.05 1gtz h GLU 61 Ca -0.00 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1gtz h GLU 61 Cb 0.30 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1gtz h GLU 61 CO 0.02 1.01 0.27 -0.07 -0.73 0.00 0.00 179.01 179.51 1gtz h LEU 62 N 0.39 0.79 -0.44 1.64 3.38 -1.22 -0.02 115.31 119.82 1gtz h LEU 62 Ca -0.02 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1gtz h LEU 62 Cb 1.22 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1gtz h LEU 62 CO 0.12 0.71 0.14 0.58 0.09 0.00 0.00 178.44 180.08 1gtz h VAL 63 N 0.81 0.83 -0.53 1.22 2.07 -0.89 -0.47 116.25 119.29 1gtz h VAL 63 Ca 0.20 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1gtz h VAL 63 Cb 0.14 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1gtz h VAL 63 CO -0.02 0.05 0.02 0.44 0.02 0.00 0.00 177.57 178.08 1gtz h ASP 64 N 0.29 0.85 -0.11 0.57 3.32 0.34 -1.86 116.42 119.82 1gtz h ASP 64 Ca 0.21 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1gtz h ASP 64 Cb 0.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1gtz h ASP 64 CO -0.24 0.90 -0.25 -0.50 -1.72 0.00 0.00 179.24 177.44 1gtz h TRP 65 N 0.82 0.62 -0.37 4.55 6.55 -0.71 -1.33 115.95 126.08 1gtz h TRP 65 Ca 0.16 -0.13 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1gtz h TRP 65 Cb 0.47 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.60 1gtz h TRP 65 CO 0.03 0.75 0.17 0.82 -1.05 0.00 0.00 178.44 179.16 1gtz h ILE 66 N 0.48 1.17 -0.76 1.49 2.04 -0.50 -1.95 117.51 119.49 1gtz h ILE 66 Ca 0.07 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1gtz h ILE 66 Cb 0.69 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1gtz h ILE 66 CO 0.05 0.18 0.50 0.45 0.00 0.00 0.00 178.15 179.33 1gtz h HIS 67 N 0.46 0.81 -0.51 1.37 3.86 -0.70 -0.93 115.15 119.51 1gtz h HIS 67 Ca 0.13 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1gtz h HIS 67 Cb 0.13 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1gtz h HIS 67 CO -0.01 0.43 -0.06 1.49 0.86 0.00 0.00 177.93 180.64 1gtz h GLU 68 N 0.80 0.94 -0.08 2.45 4.81 -0.92 -2.56 114.58 120.03 1gtz h GLU 68 Ca 0.33 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1gtz h GLU 68 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1gtz h GLU 68 CO -0.11 0.99 -0.35 0.00 -0.73 0.00 0.00 179.01 178.81 1gtz h ALA 69 N 0.92 1.27 -0.55 2.92 0.00 -0.90 -1.78 119.26 121.13 1gtz h ALA 69 Ca 0.14 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1gtz h ALA 69 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1gtz h ALA 69 CO 0.04 0.51 0.37 -0.09 0.00 0.00 0.00 179.25 180.08 1gtz h ARG 70 N 0.13 0.41 0.00 0.00 2.43 -0.74 -1.37 114.38 115.24 1gtz h ARG 70 Ca 0.02 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1gtz h ARG 70 Cb 0.69 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1gtz h ARG 70 CO 0.05 0.27 -2.03 1.28 -1.51 0.00 0.00 179.97 178.04 1gtz n LEU 71 N -4.47 0.00 -0.00 3.80 4.77 -0.94 -4.73 117.00 115.43 1gtz n LEU 71 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1gtz n LEU 71 Cb 0.31 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1gtz n LEU 71 CO 0.34 0.23 -0.00 0.59 -1.33 0.00 0.00 177.39 177.22 1gtz n ASN 72 N -2.41 0.13 -4.46 -1.43 3.02 -0.71 -5.09 115.26 104.31 1gtz n ASN 72 Ca -0.17 -0.56 -0.23 0.00 -0.03 0.00 0.00 54.58 53.59 1gtz n ASN 72 Cb 0.79 0.99 -0.10 0.00 -0.61 0.00 0.00 39.78 40.85 1gtz n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 73 N -1.22 2.15 -1.70 3.10 3.76 -0.54 -4.46 115.29 116.37 1gtz s HIS 73 Ca 0.01 -0.49 0.25 0.00 -0.15 0.00 0.00 55.06 54.67 1gtz s HIS 73 Cb 0.02 -1.09 0.44 0.00 1.11 0.00 0.00 32.58 33.06 1gtz s HIS 73 CO 0.10 0.53 1.37 0.00 -0.85 0.00 0.00 174.74 175.89 1gtz n GLY 75 N 1.39 -0.74 2.86 0.00 0.00 -1.26 -4.43 105.19 103.00 1gtz n GLY 75 Ca 0.10 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 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 0.53 -0.23 -0.61 1.01 -0.44 -1.12 121.20 118.34 1gtz s ILE 76 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1gtz s ILE 76 Cb 0.00 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1gtz s ILE 76 CO 0.00 0.25 0.08 -0.69 0.00 0.00 0.00 174.94 174.58 1gtz s VAL 77 N 1.30 4.56 -0.03 2.92 1.01 0.14 -1.35 120.40 128.96 1gtz s VAL 77 Ca -0.05 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1gtz s VAL 77 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1gtz s VAL 77 CO -0.02 0.36 -0.11 -0.51 0.00 0.00 0.00 175.10 174.82 1gtz s ILE 78 N 1.27 0.93 -0.51 2.22 2.07 0.17 -0.89 121.20 126.47 1gtz s ILE 78 Ca 0.05 -0.44 -0.05 0.00 -1.41 0.00 0.00 60.65 58.81 1gtz s ILE 78 Cb -0.15 -0.82 0.13 0.00 0.13 0.00 0.00 42.46 41.76 1gtz s ILE 78 CO 0.04 0.28 0.33 0.21 -1.91 0.00 0.00 174.94 173.90 1gtz s ASN 79 N 0.19 5.43 0.00 4.50 3.84 -0.07 -1.09 114.94 127.74 1gtz s ASN 79 Ca -0.04 -2.27 0.20 0.00 0.21 0.00 0.00 52.86 50.96 1gtz s ASN 79 Cb -0.10 -1.90 0.85 0.00 -0.55 0.00 0.00 41.25 39.56 1gtz s ASN 79 CO 0.01 -0.53 1.63 -0.81 -2.79 0.00 0.00 177.10 174.61 1gtz n PRO 80 N 4.33 0.01 0.00 0.43 -0.05 -1.26 -0.10 135.00 138.35 1gtz n PRO 80 Ca -0.00 0.16 0.00 0.00 -0.05 0.00 0.00 63.50 63.61 1gtz n PRO 80 Cb 0.40 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.35 1gtz n PRO 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1gtz n ALA 81 N -1.49 0.00 -0.28 0.55 0.00 -1.26 -1.91 120.51 116.11 1gtz n ALA 81 Ca 0.05 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.69 1gtz n ALA 81 Cb 0.23 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.78 2.19 0.00 0.00 0.00 -1.93 -0.85 119.26 117.88 1gtz h ALA 82 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 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 -0.53 0.00 0.66 0.00 0.00 0.00 179.25 179.38 1gtz n TYR 83 N -4.56 0.60 -0.33 0.00 0.53 -0.80 -1.48 117.16 111.10 1gtz n TYR 83 Ca 0.22 0.26 0.03 0.00 -1.02 0.00 0.00 57.90 57.39 1gtz n TYR 83 Cb 0.76 -0.92 0.17 0.00 -1.03 0.00 0.00 39.34 38.33 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 0.88 1.50 7.72 0.02 -1.16 -0.20 113.55 122.32 1gtz h SER 84 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1gtz h SER 84 Cb 0.22 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1gtz h SER 84 CO 0.00 0.54 -0.33 0.45 -1.14 0.00 0.00 176.83 176.35 1gtz h HIS 85 N 1.00 0.00 0.00 3.45 3.86 -1.44 0.03 115.15 122.06 1gtz h HIS 85 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1gtz h HIS 85 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1gtz h HIS 85 CO -0.02 0.00 -1.00 0.25 0.86 0.00 0.00 177.93 178.02 1gtz n THR 86 N -2.71 0.00 -3.01 2.45 -2.24 -0.91 -4.79 114.28 103.07 1gtz n THR 86 Ca 0.03 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.37 1gtz n THR 86 Cb 0.50 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.47 6.34 0.41 3.42 0.15 -0.14 -4.82 113.70 116.60 1gtz s SER 87 Ca 0.00 -1.57 0.16 0.00 0.70 0.00 0.00 55.95 55.24 1gtz s SER 87 Cb 0.00 -2.35 0.89 0.00 -1.71 0.00 0.00 66.02 62.85 1gtz s SER 87 CO 0.00 -1.15 1.89 0.58 1.20 0.00 0.00 173.24 175.75 1gtz h VAL 88 N 5.83 1.07 -0.30 4.45 2.07 -1.95 -2.93 116.25 124.48 1gtz h VAL 88 Ca -0.14 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1gtz h VAL 88 Cb 1.06 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1gtz h VAL 88 CO 1.10 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 178.83 1gtz h ALA 89 N 1.70 1.19 -0.06 1.67 0.00 -1.97 -0.93 119.26 120.86 1gtz h ALA 89 Ca -0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1gtz h ALA 89 Cb 0.58 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1gtz h ALA 89 CO 0.04 0.52 -0.62 0.82 0.00 0.00 0.00 179.25 180.01 1gtz h ILE 90 N 0.48 1.37 -0.13 0.00 2.04 -1.87 -2.01 117.51 117.39 1gtz h ILE 90 Ca 0.08 -1.98 0.04 0.00 1.00 0.00 0.00 64.86 64.01 1gtz h ILE 90 Cb 0.54 2.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.90 1gtz h ILE 90 CO 0.03 0.59 -0.44 0.25 0.00 0.00 0.00 178.15 178.58 1gtz h LEU 91 N 0.10 -1.39 -0.90 1.44 5.85 -1.33 -2.11 115.31 116.98 1gtz h LEU 91 Ca -0.06 0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1gtz h LEU 91 Cb 1.29 0.56 -0.08 0.00 0.37 0.00 0.00 40.66 42.80 1gtz h LEU 91 CO 0.13 -0.44 0.53 0.44 -0.34 0.00 0.00 178.44 178.76 1gtz h ASP 92 N -0.51 0.75 -0.95 1.25 3.32 -1.12 -0.44 116.42 118.72 1gtz h ASP 92 Ca 0.07 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1gtz h ASP 92 Cb 0.64 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 1gtz h ASP 92 CO -0.41 0.40 0.63 0.00 -1.72 0.00 0.00 179.24 178.14 1gtz h ALA 93 N 1.50 1.23 -0.06 3.45 0.00 -0.96 -2.23 119.26 122.19 1gtz h ALA 93 Ca 0.45 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 1gtz h ALA 93 Cb 0.46 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gtz h ALA 93 CO -0.27 0.56 -0.44 -0.07 0.00 0.00 0.00 179.25 179.02 1gtz h LEU 94 N 1.26 0.15 -0.35 0.00 3.38 -0.79 -2.67 115.31 116.28 1gtz h LEU 94 Ca 0.36 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1gtz h LEU 94 Cb -0.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1gtz h LEU 94 CO -0.09 0.58 0.00 0.59 0.09 0.00 0.00 178.44 179.61 1gtz n ASN 95 N -4.00 0.62 0.00 -0.43 5.03 -0.23 -2.45 115.26 113.81 1gtz n ASN 95 Ca -0.02 0.61 0.14 0.00 0.87 0.00 0.00 54.58 56.18 1gtz n ASN 95 Cb 0.49 -0.76 0.58 0.00 -1.02 0.00 0.00 39.78 39.07 1gtz n ASN 95 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1gtz n THR 96 N -2.14 0.00 -2.88 3.41 -2.24 -1.01 -4.46 114.28 104.96 1gtz n THR 96 Ca 0.04 -0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.38 1gtz n THR 96 Cb 0.30 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 3.53 3.04 0.00 0.00 2.03 -1.26 -2.17 116.55 121.71 1gtz n ASP 98 Ca 0.32 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1gtz n ASP 98 Cb 0.38 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 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 5.85 2.63 3.71 0.27 0.00 -1.26 -5.00 105.19 111.38 1gtz n GLY 99 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 4.37 0.27 0.99 2.96 -0.92 -4.96 118.68 121.37 1gtz s LEU 100 Ca 0.00 2.20 -0.30 0.00 -0.22 0.00 0.00 54.13 55.81 1gtz s LEU 100 Cb 0.00 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.00 1gtz s LEU 100 CO 0.00 -0.59 1.53 -2.84 -1.32 0.00 0.00 176.35 173.12 1gtz s PRO 101 N 1.18 4.19 -0.05 0.98 0.02 -1.26 -4.92 135.00 135.15 1gtz s PRO 101 Ca 0.62 2.45 0.01 0.00 0.02 0.00 0.00 61.00 64.10 1gtz s PRO 101 Cb -0.34 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.14 1gtz s PRO 101 CO 0.30 -0.54 -0.05 0.08 -0.33 0.00 0.00 177.00 176.45 1gtz s VAL 102 N 0.05 0.62 -0.12 3.83 1.01 -1.26 -1.32 120.40 123.20 1gtz s VAL 102 Ca 0.62 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1gtz s VAL 102 Cb -0.45 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1gtz s VAL 102 CO 0.45 0.25 -0.16 -0.69 0.00 0.00 0.00 175.10 174.95 1gtz s VAL 103 N 0.95 1.57 0.09 2.92 1.01 -0.45 -0.46 120.40 126.02 1gtz s VAL 103 Ca -0.11 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1gtz s VAL 103 Cb -0.14 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 1gtz s VAL 103 CO 0.00 0.46 0.46 -0.70 0.00 0.00 0.00 175.10 175.32 1gtz s GLU 104 N 1.12 3.87 -0.05 2.72 2.12 -0.03 -0.65 118.70 127.80 1gtz s GLU 104 Ca -0.03 0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.65 1gtz s GLU 104 Cb -0.14 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.25 1gtz s GLU 104 CO -0.04 0.55 -0.09 0.08 -0.54 0.00 0.00 175.26 175.22 1gtz s VAL 105 N -1.37 0.82 -0.11 3.70 1.01 -0.25 -1.04 120.40 123.15 1gtz s VAL 105 Ca 0.33 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1gtz s VAL 105 Cb -0.15 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1gtz s VAL 105 CO 0.18 0.28 -0.21 -1.00 0.00 0.00 0.00 175.10 174.34 1gtz s HIS 106 N 0.60 2.44 0.11 5.22 3.76 -0.32 -4.07 115.29 123.04 1gtz s HIS 106 Ca -0.10 -1.11 -0.20 0.00 -0.15 0.00 0.00 55.06 53.50 1gtz s HIS 106 Cb -0.13 -1.67 -0.07 0.00 1.11 0.00 0.00 32.58 31.82 1gtz s HIS 106 CO 0.02 -0.49 1.72 0.82 -0.85 0.00 0.00 174.74 175.96 1gtz h ILE 107 N 5.80 1.10 -3.64 0.60 2.04 -1.88 -2.28 117.51 119.26 1gtz h ILE 107 Ca -0.26 -0.25 -0.49 0.00 1.00 0.00 0.00 64.86 64.86 1gtz h ILE 107 Cb 1.21 0.89 0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1gtz h ILE 107 CO 0.50 0.09 0.15 -0.94 0.00 0.00 0.00 178.15 177.95 1gtz s SER 108 N -5.47 6.11 -0.88 1.72 1.04 -1.26 -2.22 113.70 112.74 1gtz s SER 108 Ca -0.13 0.91 -0.23 0.00 0.48 0.00 0.00 55.95 56.98 1gtz s SER 108 Cb 0.08 -2.14 0.07 0.00 0.10 0.00 0.00 66.02 64.13 1gtz s SER 108 CO 0.70 -0.71 1.25 0.21 0.98 0.00 0.00 173.24 175.67 1gtz s ASN 109 N -4.16 6.41 0.58 7.02 3.84 -1.26 -2.09 114.94 125.28 1gtz s ASN 109 Ca 0.49 -1.32 0.27 0.00 0.21 0.00 0.00 52.86 52.51 1gtz s ASN 109 Cb -0.10 -2.50 1.70 0.00 -0.55 0.00 0.00 41.25 39.80 1gtz s ASN 109 CO 0.46 -1.45 2.21 0.16 -2.79 0.00 0.00 177.10 175.68 1gtz h ILE 110 N 6.26 0.60 0.00 -5.21 3.07 -1.92 -1.92 117.51 118.39 1gtz h ILE 110 Ca 0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.42 1gtz h ILE 110 Cb 1.03 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1gtz h ILE 110 CO 1.28 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.79 1gtz n HIS 111 N -3.96 0.26 1.02 0.16 8.25 -1.26 -1.29 115.22 118.39 1gtz n HIS 111 Ca -0.02 0.11 0.11 0.00 -0.26 0.00 0.00 57.72 57.65 1gtz n HIS 111 Cb 0.13 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.56 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 -1.74 0.38 -0.61 -0.41 6.02 -0.72 -4.98 117.38 115.32 1gtz n GLN 112 Ca 0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1gtz n GLN 112 Cb 0.18 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.04 1.96 -1.49 -1.09 1.74 -0.41 -5.05 116.66 111.27 1gtz n ARG 113 Ca 0.06 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.76 1gtz n ARG 113 Cb 0.37 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.85 1gtz n ARG 113 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gtz n GLU 114 N -0.52 0.57 0.28 5.56 4.71 -1.26 -4.87 120.64 125.12 1gtz n GLU 114 Ca 0.00 0.22 0.13 0.00 -0.01 0.00 0.00 57.16 57.51 1gtz n GLU 114 Cb 0.00 -1.80 0.84 0.00 -1.01 0.00 0.00 31.44 29.47 1gtz n GLU 114 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1gtz h PRO 115 N 0.25 0.00 0.00 3.49 0.11 -1.97 0.23 132.00 134.11 1gtz h PRO 115 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1gtz h PRO 115 Cb 1.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.50 1gtz h PRO 115 CO 0.47 0.03 -0.03 0.27 -0.21 0.00 0.00 178.00 178.54 1gtz h PHE 116 N 0.00 0.00 -0.02 0.65 -5.15 -1.97 -1.82 116.94 108.63 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 0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.24 1gtz h PHE 116 CO 0.00 0.03 -0.05 0.54 -2.00 0.00 0.00 178.31 176.83 1gtz n ARG 117 N -3.18 1.73 0.22 6.09 1.74 0.81 -4.44 116.66 119.63 1gtz n ARG 117 Ca -0.01 -1.16 0.10 0.00 -0.77 0.00 0.00 57.85 56.01 1gtz n ARG 117 Cb 0.22 -1.48 0.38 0.00 -1.02 0.00 0.00 32.46 30.56 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 2.84 0.00 -3.14 -1.55 3.86 -1.39 -3.44 115.15 112.34 1gtz h HIS 118 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1gtz h HIS 118 Cb 0.64 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.97 1gtz h HIS 118 CO 0.00 0.19 -0.57 -1.58 0.86 0.00 0.00 177.93 176.83 1gtz s HIS 119 N -3.46 3.29 -0.05 2.45 5.65 -1.26 -4.90 115.29 117.00 1gtz s HIS 119 Ca 0.02 0.23 0.03 0.00 0.25 0.00 0.00 55.06 55.60 1gtz s HIS 119 Cb 0.09 -1.90 0.01 0.00 -1.18 0.00 0.00 32.58 29.59 1gtz s HIS 119 CO 0.64 0.45 -0.13 0.45 -0.65 0.00 0.00 174.74 175.50 1gtz s SER 120 N -0.59 1.77 0.22 9.88 0.15 -1.26 -4.25 113.70 119.62 1gtz s SER 120 Ca 0.11 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.42 1gtz s SER 120 Cb -0.12 -0.66 0.20 0.00 -1.71 0.00 0.00 66.02 63.74 1gtz s SER 120 CO 0.02 0.07 1.67 1.88 1.20 0.00 0.00 173.24 178.09 1gtz h TYR 121 N 6.65 0.93 -0.83 3.44 -1.99 -1.29 -2.87 116.97 121.02 1gtz h TYR 121 Ca -0.32 -0.18 0.01 0.00 2.00 0.00 0.00 58.73 60.25 1gtz h TYR 121 Cb 1.18 -0.24 -0.04 0.00 2.00 0.00 0.00 36.73 39.63 1gtz h TYR 121 CO 0.46 0.91 0.55 0.28 -0.00 0.00 0.00 178.16 180.36 1gtz h VAL 122 N 0.76 1.20 -0.26 -2.88 2.07 -1.87 -2.86 116.25 112.42 1gtz h VAL 122 Ca 0.13 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1gtz h VAL 122 Cb 0.62 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1gtz h VAL 122 CO 0.04 0.20 0.26 0.77 0.02 0.00 0.00 177.57 178.86 1gtz h SER 123 N 1.11 0.00 1.00 0.57 4.64 -1.86 -1.47 113.55 117.54 1gtz h SER 123 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1gtz h SER 123 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1gtz h SER 123 CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 1gtz n GLN 124 N -3.88 0.21 -0.09 4.77 1.13 -1.08 -3.77 117.38 114.67 1gtz n GLN 124 Ca 0.03 0.33 -0.12 0.00 -1.94 0.00 0.00 57.00 55.30 1gtz n GLN 124 Cb 0.41 -1.83 -0.09 0.00 0.11 0.00 0.00 30.24 28.84 1gtz n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1gtz n ARG 125 N -2.20 0.59 -1.57 -1.09 3.00 -0.68 -5.02 116.66 109.69 1gtz n ARG 125 Ca 0.04 0.10 -0.47 0.00 -0.00 0.00 0.00 57.85 57.51 1gtz n ARG 125 Cb 0.30 -1.38 -0.03 0.00 0.00 0.00 0.00 32.46 31.36 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 -3.00 -0.69 0.00 5.13 0.00 -0.64 -4.88 120.51 116.43 1gtz n ALA 126 Ca -0.32 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 1gtz n ALA 126 Cb 0.87 -1.99 0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 2.53 0.61 -4.92 0.00 3.32 -1.12 -3.46 116.42 113.39 1gtz h ASP 127 Ca -0.40 -0.31 -0.20 0.00 0.02 0.00 0.00 57.03 56.14 1gtz h ASP 127 Cb 1.35 -0.17 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1gtz h ASP 127 CO 0.65 1.02 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.65 1gtz s GLY 128 N -4.12 0.42 -0.07 2.75 0.00 -1.16 -5.05 107.32 100.08 1gtz s GLY 128 Ca -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1gtz s GLY 128 CO 0.84 -0.91 -0.02 0.14 0.00 0.00 0.00 173.10 173.15 1gtz s VAL 129 N -2.10 0.50 -0.13 1.40 1.01 -1.26 -0.85 120.40 118.98 1gtz s VAL 129 Ca -0.07 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1gtz s VAL 129 Cb -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1gtz s VAL 129 CO -0.03 0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 174.52 1gtz s VAL 130 N 1.67 3.07 0.00 2.92 1.01 -0.21 -4.97 120.40 123.89 1gtz s VAL 130 Ca 0.01 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1gtz s VAL 130 Cb -0.13 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1gtz s VAL 130 CO -0.04 0.53 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 1gtz s ALA 131 N 0.30 0.43 -0.69 5.51 0.00 -1.26 -1.17 121.76 124.88 1gtz s ALA 131 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1gtz s ALA 131 Cb -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1gtz s ALA 131 CO 0.05 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1gtz n GLY 132 N 2.81 0.74 1.45 0.00 0.00 -0.86 -4.76 105.19 104.57 1gtz n GLY 132 Ca -0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.69 0.85 0.15 0.00 0.00 -0.94 -2.95 105.19 101.60 1gtz n GLY 134 Ca 0.35 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.66 1gtz n GLY 134 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gtz n VAL 135 N -0.05 0.86 0.17 1.61 0.24 -1.26 -2.20 118.33 117.69 1gtz n VAL 135 Ca 0.00 0.35 0.13 0.00 -2.04 0.00 0.00 64.34 62.78 1gtz n VAL 135 Cb 0.00 -1.31 0.68 0.00 -1.47 0.00 0.00 33.84 31.74 1gtz n VAL 135 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1gtz h GLN 136 N 0.00 0.00 -0.31 7.34 4.15 -1.96 -1.55 115.11 122.79 1gtz h GLN 136 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1gtz h GLN 136 Cb 0.28 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1gtz h GLN 136 CO 0.00 0.00 0.20 0.78 -1.93 0.00 0.00 178.83 177.88 1gtz h GLY 137 N 0.00 0.39 1.27 2.39 0.00 -1.33 -0.69 103.07 105.09 1gtz h GLY 137 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1gtz h GLY 137 CO -0.00 0.13 0.20 -0.97 0.00 0.00 0.00 176.54 175.90 1gtz h TYR 138 N 0.36 0.94 -0.40 5.60 -1.99 -1.49 -1.14 116.97 118.85 1gtz h TYR 138 Ca 0.12 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1gtz h TYR 138 Cb 0.04 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 1gtz h TYR 138 CO -0.00 0.75 -0.04 0.28 -0.00 0.00 0.00 178.16 179.15 1gtz h VAL 139 N 0.89 1.27 -0.77 -2.88 2.07 -1.27 -1.43 116.25 114.14 1gtz h VAL 139 Ca 0.20 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1gtz h VAL 139 Cb 0.24 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1gtz h VAL 139 CO -0.01 0.37 0.48 -0.26 0.02 0.00 0.00 177.57 178.17 1gtz h PHE 140 N 0.56 0.89 -0.49 1.57 0.05 -1.03 -1.66 116.94 116.83 1gtz h PHE 140 Ca 0.11 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.98 1gtz h PHE 140 Cb 0.54 -0.29 -0.05 0.00 2.00 0.00 0.00 35.95 38.15 1gtz h PHE 140 CO 0.04 0.48 0.20 0.78 -0.18 0.00 0.00 178.31 179.63 1gtz h GLY 141 N 0.91 0.66 0.98 -1.45 0.00 -0.89 -1.13 103.07 102.15 1gtz h GLY 141 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1gtz h GLY 141 CO -0.14 0.04 0.20 -2.08 0.00 0.00 0.00 176.54 174.56 1gtz h VAL 142 N 0.39 1.11 -0.05 4.60 2.07 -0.94 -1.87 116.25 121.56 1gtz h VAL 142 Ca 0.23 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1gtz h VAL 142 Cb 0.21 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1gtz h VAL 142 CO -0.21 0.11 -0.19 -0.33 0.02 0.00 0.00 177.57 176.97 1gtz h GLU 143 N 0.43 0.08 -0.01 1.57 5.08 -0.94 -0.65 114.58 120.14 1gtz h GLU 143 Ca 0.12 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.21 1gtz h GLU 143 Cb 0.01 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.26 1gtz h GLU 143 CO -0.02 0.27 -1.00 -0.09 -1.00 0.00 0.00 179.01 177.17 1gtz h ARG 144 N 0.08 0.65 -0.50 2.33 9.65 -1.02 -1.39 114.38 124.18 1gtz h ARG 144 Ca 0.01 -0.68 -0.05 0.00 -1.10 0.00 0.00 59.98 58.16 1gtz h ARG 144 Cb 0.39 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 1gtz h ARG 144 CO 0.03 1.27 0.10 0.82 2.80 0.00 0.00 179.97 184.99 1gtz h ILE 145 N 0.37 1.24 -0.95 1.20 1.08 -0.96 -1.26 117.51 118.25 1gtz h ILE 145 Ca -0.11 -0.88 0.03 0.00 -0.39 0.00 0.00 64.86 63.50 1gtz h ILE 145 Cb 1.64 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 36.20 1gtz h ILE 145 CO 0.19 0.32 0.62 0.00 -0.69 0.00 0.00 178.15 178.59 1gtz h ALA 146 N 0.98 1.37 -0.01 1.87 0.00 -0.92 0.29 119.26 122.84 1gtz h ALA 146 Ca 0.15 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1gtz h ALA 146 Cb 0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1gtz h ALA 146 CO 0.01 0.55 -0.74 0.00 0.00 0.00 0.00 179.25 179.06 1gtz h ALA 147 N 1.43 0.73 0.13 0.00 0.00 -0.63 -1.59 119.26 119.34 1gtz h ALA 147 Ca 0.37 -0.65 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1gtz h ALA 147 Cb -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.67 1gtz h ALA 147 CO -0.10 0.87 -0.79 -0.07 0.00 0.00 0.00 179.25 179.16 1gtz h LEU 148 N 0.07 0.44 0.24 0.00 3.38 -0.54 -3.36 115.31 115.54 1gtz h LEU 148 Ca -0.02 -0.96 -0.01 0.00 0.09 0.00 0.00 57.88 56.99 1gtz h LEU 148 Cb 1.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1gtz h LEU 148 CO 0.11 1.38 -0.11 0.00 0.09 0.00 0.00 178.44 179.90 1gtz h ALA 149 N 0.07 -0.61 0.00 1.53 0.00 -0.48 -3.49 119.26 116.28 1gtz h ALA 149 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1gtz h ALA 149 Cb 1.61 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1gtz h ALA 149 CO 0.14 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.21