#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klx n GLY 4 N 0.00 4.25 0.00 -0.02 0.00 -1.26 -4.24 105.19 103.92 1klx n GLY 4 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1klx n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1klx n GLY 5 N -0.68 0.39 3.49 -0.02 0.00 -1.26 -5.01 105.19 102.10 1klx n GLY 5 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 1klx n GLY 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1klx s THR 6 N 0.00 2.01 0.27 2.61 -4.23 -1.26 -4.86 115.64 110.18 1klx s THR 6 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1klx s THR 6 Cb 0.00 -2.08 0.14 0.00 1.34 0.00 0.00 72.50 71.90 1klx s THR 6 CO 0.00 -0.00 1.81 0.58 -0.54 0.00 0.00 174.62 176.46 1klx h VAL 7 N -2.64 1.23 -0.71 2.29 2.07 -1.99 -2.61 116.25 113.90 1klx h VAL 7 Ca -0.62 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1klx h VAL 7 Cb 1.34 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1klx h VAL 7 CO 0.51 0.32 0.32 0.11 0.02 0.00 0.00 177.57 178.84 1klx h LYS 8 N 0.78 1.02 -0.42 1.57 1.57 -1.96 0.31 116.57 119.43 1klx h LYS 8 Ca 0.17 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1klx h LYS 8 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1klx h LYS 8 CO 0.00 0.80 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.43 1klx h LYS 9 N 1.01 0.71 -0.40 3.15 3.64 -1.78 -1.26 116.57 121.63 1klx h LYS 9 Ca 0.24 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1klx h LYS 9 Cb 0.14 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1klx h LYS 9 CO -0.03 0.75 -0.24 -0.44 -2.27 0.00 0.00 179.45 177.23 1klx h ASP 10 N 0.66 0.89 -0.96 4.20 3.32 -1.06 -1.83 116.42 121.64 1klx h ASP 10 Ca 0.13 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.77 1klx h ASP 10 Cb 0.47 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1klx h ASP 10 CO 0.02 1.12 0.63 -0.07 -1.72 0.00 0.00 179.24 179.22 1klx h LEU 11 N 0.67 1.08 -1.01 1.55 3.38 -0.70 -1.10 115.31 119.18 1klx h LEU 11 Ca 0.08 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1klx h LEU 11 Cb 0.80 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1klx h LEU 11 CO 0.07 0.77 0.19 0.11 0.09 0.00 0.00 178.44 179.66 1klx h LYS 12 N 1.27 0.90 0.00 1.13 1.57 -1.07 -2.03 116.57 118.34 1klx h LYS 12 Ca 0.36 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1klx h LYS 12 Cb -0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1klx h LYS 12 CO -0.09 0.78 -0.46 -0.22 -0.57 0.00 0.00 179.45 178.89 1klx h LYS 13 N 0.87 0.00 0.00 3.15 3.64 -0.52 -2.94 116.57 120.77 1klx h LYS 13 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1klx h LYS 13 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1klx h LYS 13 CO -0.01 0.46 0.00 0.00 -2.27 0.00 0.00 179.45 177.63 1klx h ALA 14 N 1.54 1.00 0.12 5.00 0.00 -0.49 -3.38 119.26 123.05 1klx h ALA 14 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1klx h ALA 14 Cb 0.85 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1klx h ALA 14 CO 0.06 0.00 -0.37 0.82 0.00 0.00 0.00 179.25 179.76 1klx h ILE 15 N 0.00 0.00 -0.84 0.00 2.04 -1.31 -1.38 117.51 116.02 1klx h ILE 15 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1klx h ILE 15 Cb 0.55 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1klx h ILE 15 CO 0.00 0.00 0.54 1.56 0.00 0.00 0.00 178.15 180.25 1klx h GLN 16 N -0.56 0.67 -0.53 2.37 1.08 -1.80 0.19 115.11 116.53 1klx h GLN 16 Ca -0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1klx h GLN 16 Cb 0.55 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 1klx h GLN 16 CO -0.18 0.44 0.34 -0.92 -0.95 0.00 0.00 178.83 177.56 1klx h TYR 17 N 0.69 0.68 0.00 2.96 3.20 -1.64 -2.44 116.97 120.41 1klx h TYR 17 Ca 0.40 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1klx h TYR 17 Cb 0.61 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1klx h TYR 17 CO -0.00 0.45 -0.12 1.88 -1.64 0.00 0.00 178.16 178.72 1klx h TYR 18 N 0.71 0.00 -0.46 -3.82 0.05 -0.32 -2.17 116.97 110.95 1klx h TYR 18 Ca 0.19 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.90 1klx h TYR 18 Cb -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1klx h TYR 18 CO -0.03 0.00 0.02 0.28 -1.05 0.00 0.00 178.16 177.38 1klx h VAL 19 N 0.00 1.26 -0.03 -2.88 2.07 -0.48 -0.67 116.25 115.52 1klx h VAL 19 Ca 0.00 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1klx h VAL 19 Cb 0.97 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1klx h VAL 19 CO 0.00 0.35 0.02 0.11 0.02 0.00 0.00 177.57 178.07 1klx h LYS 20 N 0.66 0.04 -0.85 1.57 1.79 -1.29 -1.57 116.57 116.92 1klx h LYS 20 Ca 0.13 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.71 1klx h LYS 20 Cb 0.47 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.03 1klx h LYS 20 CO 0.02 0.13 0.49 0.00 -1.08 0.00 0.00 179.45 179.01 1klx h ALA 21 N 0.91 1.24 -0.29 3.86 0.00 -1.34 -1.57 119.26 122.08 1klx h ALA 21 Ca 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1klx h ALA 21 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1klx h ALA 21 CO -0.00 0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.25 1klx h GLU 23 N 0.32 0.31 -0.37 0.00 5.08 -0.99 -1.39 114.58 117.54 1klx h GLU 23 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1klx h GLU 23 Cb 0.55 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1klx h GLU 23 CO 0.03 0.21 0.00 1.28 -1.00 0.00 0.00 179.01 179.53 1klx n LEU 24 N -4.50 2.66 -2.82 1.33 4.77 -0.62 -4.42 117.00 113.39 1klx n LEU 24 Ca 0.01 -1.21 -0.20 0.00 -0.03 0.00 0.00 56.01 54.58 1klx n LEU 24 Cb 0.07 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1klx n LEU 24 CO 0.35 0.60 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.71 1klx n ASN 25 N 0.96 -4.96 -4.79 -1.43 5.15 -0.53 -4.97 115.26 104.69 1klx n ASN 25 Ca 0.18 -0.13 -0.34 0.00 -0.60 0.00 0.00 54.58 53.69 1klx n ASN 25 Cb 0.46 -4.10 -0.01 0.00 -0.53 0.00 0.00 39.78 35.60 1klx n ASN 25 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1klx s GLU 26 N -5.47 3.55 0.09 1.20 2.02 0.15 -4.92 118.70 115.32 1klx s GLU 26 Ca 0.19 1.38 -0.35 0.00 0.02 0.00 0.00 54.97 56.20 1klx s GLU 26 Cb -0.09 -2.05 -0.15 0.00 0.10 0.00 0.00 34.13 31.94 1klx s GLU 26 CO 0.23 -0.64 1.52 -0.12 0.02 0.00 0.00 175.26 176.27 1klx n MET 27 N -1.35 1.73 -0.86 1.61 1.56 -1.26 -1.10 117.12 117.44 1klx n MET 27 Ca 0.10 0.63 0.00 0.00 -0.27 0.00 0.00 57.70 58.15 1klx n MET 27 Cb 0.52 -2.35 0.00 0.00 2.15 0.00 0.00 33.22 33.54 1klx n MET 27 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 1klx n PHE 28 N 3.42 0.00 0.14 1.12 0.99 -1.26 -4.91 117.46 116.96 1klx n PHE 28 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.50 1klx n PHE 28 Cb 0.24 -1.12 -0.08 0.00 -1.00 0.00 0.00 39.48 37.52 1klx n PHE 28 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1klx h GLY 29 N 0.00 -0.40 1.64 1.37 0.00 -1.38 -0.63 103.07 103.68 1klx h GLY 29 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 1klx h GLY 29 CO 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 176.54 176.08 1klx h LEU 31 N 0.35 0.58 -1.43 0.00 5.85 -1.92 0.50 115.31 119.24 1klx h LEU 31 Ca 0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1klx h LEU 31 Cb 0.74 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1klx h LEU 31 CO 0.06 0.34 0.21 0.28 -0.34 0.00 0.00 178.44 178.99 1klx h SER 32 N 0.71 0.53 -0.29 1.25 0.02 -0.67 -0.45 113.55 114.66 1klx h SER 32 Ca 0.36 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1klx h SER 32 Cb 0.32 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1klx h SER 32 CO -0.24 0.45 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.79 1klx h LEU 33 N 0.60 0.54 -1.64 5.07 3.38 -1.00 -2.89 115.31 119.38 1klx h LEU 33 Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1klx h LEU 33 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1klx h LEU 33 CO -0.02 0.76 0.16 0.58 0.09 0.00 0.00 178.44 180.01 1klx h VAL 34 N 0.32 1.10 -0.01 1.22 2.07 0.13 -2.12 116.25 118.95 1klx h VAL 34 Ca 0.08 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1klx h VAL 34 Cb 0.51 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1klx h VAL 34 CO 0.02 0.10 -0.03 -1.20 0.02 0.00 0.00 177.57 176.49 1klx n SER 35 N -4.46 1.04 -4.39 0.57 7.64 -0.28 -4.80 113.62 108.94 1klx n SER 35 Ca 0.01 -1.25 -0.44 0.00 1.01 0.00 0.00 58.87 58.20 1klx n SER 35 Cb 0.10 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1klx n SER 35 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1klx s ASN 36 N -2.09 6.19 0.18 6.43 3.84 -0.80 -4.91 114.94 123.78 1klx s ASN 36 Ca 0.38 -1.31 0.12 0.00 0.21 0.00 0.00 52.86 52.26 1klx s ASN 36 Cb 0.21 -2.31 0.67 0.00 -0.55 0.00 0.00 41.25 39.26 1klx s ASN 36 CO 0.37 -1.12 1.38 -1.54 -2.79 0.00 0.00 177.10 173.40 1klx n SER 37 N 6.44 0.32 -0.30 -4.21 3.41 -1.26 -1.90 113.62 116.13 1klx n SER 37 Ca -0.09 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.31 1klx n SER 37 Cb 0.43 -0.69 0.53 0.00 -0.26 0.00 0.00 64.21 64.22 1klx n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1klx n GLN 38 N -1.93 1.17 -3.63 4.33 1.13 -1.26 -4.71 117.38 112.49 1klx n GLN 38 Ca -0.01 -0.60 -0.38 0.00 -1.94 0.00 0.00 57.00 54.07 1klx n GLN 38 Cb 0.02 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.77 1klx n GLN 38 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1klx s ILE 39 N -2.24 5.00 0.69 5.09 1.01 -0.80 -4.97 121.20 124.98 1klx s ILE 39 Ca 0.33 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 1klx s ILE 39 Cb 0.20 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1klx s ILE 39 CO 0.42 0.21 1.06 0.54 0.00 0.00 0.00 174.94 177.17 1klx s ASN 40 N 1.70 5.46 0.51 3.58 2.20 -1.26 -4.82 114.94 122.31 1klx s ASN 40 Ca 0.06 1.59 0.16 0.00 -0.94 0.00 0.00 52.86 53.74 1klx s ASN 40 Cb -0.16 -2.48 1.24 0.00 -2.00 0.00 0.00 41.25 37.85 1klx s ASN 40 CO 0.09 -1.39 2.13 0.11 -2.94 0.00 0.00 177.10 175.10 1klx h LYS 41 N -0.68 0.00 0.01 3.55 1.79 -1.98 -0.78 116.57 118.48 1klx h LYS 41 Ca -0.44 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1klx h LYS 41 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1klx h LYS 41 CO 0.57 0.02 -0.00 0.37 -1.08 0.00 0.00 179.45 179.33 1klx h GLN 42 N 0.00 -0.01 -0.48 3.15 4.15 -1.95 -0.76 115.11 119.21 1klx h GLN 42 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1klx h GLN 42 Cb 0.04 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1klx h GLN 42 CO 0.00 0.18 0.28 0.87 -1.93 0.00 0.00 178.83 178.24 1klx h LYS 43 N -0.20 0.55 -0.64 1.69 1.79 -1.82 -1.81 116.57 116.12 1klx h LYS 43 Ca -0.00 -0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.55 1klx h LYS 43 Cb 0.20 -0.12 -0.09 0.00 -1.58 0.00 0.00 32.23 30.64 1klx h LYS 43 CO 0.00 0.36 0.19 1.25 -1.08 0.00 0.00 179.45 180.18 1klx h LEU 44 N 0.56 0.12 -0.83 2.94 5.85 -1.06 0.26 115.31 123.15 1klx h LEU 44 Ca 0.20 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1klx h LEU 44 Cb 0.03 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1klx h LEU 44 CO -0.09 0.06 0.38 0.15 -0.34 0.00 0.00 178.44 178.59 1klx h PHE 45 N 0.34 1.23 -0.34 1.25 3.57 -0.81 0.31 116.94 122.48 1klx h PHE 45 Ca 0.34 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1klx h PHE 45 Cb 0.49 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1klx h PHE 45 CO -0.21 0.90 0.08 0.37 -2.23 0.00 0.00 178.31 177.21 1klx h GLN 46 N 1.20 0.55 -0.25 1.11 4.15 -0.60 -0.21 115.11 121.06 1klx h GLN 46 Ca 0.28 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 1klx h GLN 46 Cb 0.15 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1klx h GLN 46 CO -0.03 0.61 -0.04 1.88 -1.93 0.00 0.00 178.83 179.33 1klx h TYR 47 N 0.40 0.52 -0.17 3.99 0.05 0.54 -1.02 116.97 121.29 1klx h TYR 47 Ca 0.11 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1klx h TYR 47 Cb 0.31 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1klx h TYR 47 CO 0.02 0.67 -0.24 -0.07 -1.05 0.00 0.00 178.16 177.48 1klx h LEU 48 N 0.23 0.30 -0.35 3.88 3.38 -0.35 -1.73 115.31 120.66 1klx h LEU 48 Ca 0.07 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1klx h LEU 48 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1klx h LEU 48 CO 0.02 0.55 0.04 0.28 0.09 0.00 0.00 178.44 179.41 1klx h SER 49 N 0.27 0.57 -0.71 -0.43 0.02 -0.83 0.20 113.55 112.64 1klx h SER 49 Ca 0.04 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1klx h SER 49 Cb 0.58 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1klx h SER 49 CO 0.04 0.71 0.19 0.50 -1.14 0.00 0.00 176.83 177.13 1klx h LYS 50 N 0.42 1.13 -0.38 3.45 3.64 -0.99 -1.42 116.57 122.41 1klx h LYS 50 Ca 0.10 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1klx h LYS 50 Cb 0.39 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1klx h LYS 50 CO 0.01 0.98 0.13 0.00 -2.27 0.00 0.00 179.45 178.31 1klx h ALA 51 N 1.09 0.50 -0.49 5.00 0.00 -1.04 -1.12 119.26 123.20 1klx h ALA 51 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1klx h ALA 51 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1klx h ALA 51 CO -0.00 0.12 0.08 0.00 0.00 0.00 0.00 179.25 179.45 1klx h GLU 53 N 0.73 0.00 -0.56 0.00 5.08 -0.52 -0.23 114.58 119.08 1klx h GLU 53 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1klx h GLU 53 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1klx h GLU 53 CO 0.01 0.09 0.00 1.28 -1.00 0.00 0.00 179.01 179.38 1klx n LEU 54 N -4.18 2.09 -2.94 1.33 4.77 -0.25 -4.87 117.00 112.96 1klx n LEU 54 Ca -0.03 -1.05 -0.20 0.00 -0.03 0.00 0.00 56.01 54.70 1klx n LEU 54 Cb 0.17 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1klx n LEU 54 CO 0.33 0.38 0.13 0.59 -1.33 0.00 0.00 177.39 177.49 1klx n ASN 55 N 0.26 -5.65 -4.61 -1.43 3.02 -0.10 -4.95 115.26 101.80 1klx n ASN 55 Ca 0.10 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 1klx n ASN 55 Cb 0.41 -4.35 -0.05 0.00 -0.61 0.00 0.00 39.78 35.19 1klx n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1klx s SER 56 N -3.08 6.65 0.10 6.41 0.15 -0.48 -4.94 113.70 118.51 1klx s SER 56 Ca 0.41 0.65 -0.19 0.00 0.70 0.00 0.00 55.95 57.52 1klx s SER 56 Cb -0.18 -2.40 -0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1klx s SER 56 CO 0.51 -0.61 1.62 1.23 1.20 0.00 0.00 173.24 177.20 1klx h GLY 57 N 9.44 0.41 0.63 9.45 0.00 -1.88 -1.62 103.07 119.50 1klx h GLY 57 Ca -0.24 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 46.93 1klx h GLY 57 CO 0.88 0.22 0.48 3.43 0.00 0.00 0.00 176.54 181.54 1klx h ASN 58 N 0.24 0.71 -0.21 0.19 2.35 -1.91 -1.27 115.58 115.69 1klx h ASN 58 Ca 0.08 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1klx h ASN 58 Cb 0.21 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1klx h ASN 58 CO -0.00 0.44 0.13 1.23 -1.65 0.00 0.00 177.43 177.58 1klx h GLY 59 N 0.84 0.30 1.02 2.83 0.00 -1.63 -1.10 103.07 105.32 1klx h GLY 59 Ca 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 1klx h GLY 59 CO -0.21 0.11 0.60 0.00 0.00 0.00 0.00 176.54 177.05 1klx h ARG 61 N 1.32 0.97 -0.02 0.00 1.12 -0.59 -0.60 114.38 116.58 1klx h ARG 61 Ca 0.35 -0.15 -0.18 0.00 -1.11 0.00 0.00 59.98 58.89 1klx h ARG 61 Cb -0.09 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 29.69 1klx h ARG 61 CO -0.07 0.77 -0.79 0.74 -3.11 0.00 0.00 179.97 177.51 1klx h PHE 62 N 0.93 0.33 -0.37 2.20 -1.00 -1.09 -3.01 116.94 114.92 1klx h PHE 62 Ca 0.23 -0.16 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 1klx h PHE 62 Cb 0.13 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1klx h PHE 62 CO 0.00 0.93 0.05 1.25 -1.61 0.00 0.00 178.31 178.93 1klx h LEU 63 N 0.14 0.52 -1.34 1.54 5.85 -0.85 -2.53 115.31 118.64 1klx h LEU 63 Ca -0.03 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1klx h LEU 63 Cb 1.38 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1klx h LEU 63 CO 0.12 0.55 0.49 1.23 -0.34 0.00 0.00 178.44 180.49 1klx h GLY 64 N 0.82 1.00 1.43 3.75 0.00 -0.97 -1.28 103.07 107.82 1klx h GLY 64 Ca 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1klx h GLY 64 CO 0.00 0.26 0.32 -0.55 0.00 0.00 0.00 176.54 176.57 1klx h ASP 65 N 0.82 0.66 -0.92 0.19 5.19 -1.50 -1.57 116.42 119.30 1klx h ASP 65 Ca 0.31 -0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.70 1klx h ASP 65 Cb 0.19 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 1klx h ASP 65 CO -0.10 0.52 0.60 -0.26 -3.12 0.00 0.00 179.24 176.89 1klx h PHE 66 N 0.76 1.14 -0.02 4.55 -1.00 -1.27 0.93 116.94 122.03 1klx h PHE 66 Ca 0.20 0.03 -0.22 0.00 2.81 0.00 0.00 57.97 60.79 1klx h PHE 66 Cb -0.01 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.17 1klx h PHE 66 CO 0.00 0.69 -0.90 1.88 -1.61 0.00 0.00 178.31 178.37 1klx h TYR 67 N 1.20 0.61 -0.36 -0.55 -1.99 -1.49 -0.54 116.97 113.86 1klx h TYR 67 Ca 0.35 -0.32 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 1klx h TYR 67 Cb -0.08 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 1klx h TYR 67 CO -0.01 1.13 -0.07 1.49 -0.00 0.00 0.00 178.16 180.70 1klx h GLU 68 N 0.25 0.68 -0.07 4.88 4.57 -1.05 0.10 114.58 123.94 1klx h GLU 68 Ca -0.07 -0.25 -0.20 0.00 -1.18 0.00 0.00 59.36 57.66 1klx h GLU 68 Cb 1.53 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1klx h GLU 68 CO 0.16 0.83 -0.73 -0.91 -1.18 0.00 0.00 179.01 177.18 1klx h ASN 69 N 0.47 0.75 -1.68 1.04 -0.26 -0.81 -3.45 115.58 111.64 1klx h ASN 69 Ca 0.09 -0.69 -0.26 0.00 -0.56 0.00 0.00 56.30 54.88 1klx h ASN 69 Cb 0.57 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 1klx h ASN 69 CO 0.03 1.33 -0.32 0.61 -1.06 0.00 0.00 177.43 178.02 1klx n GLY 70 N 0.88 0.04 0.14 2.83 0.00 -0.21 -4.81 105.19 104.06 1klx n GLY 70 Ca -0.09 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1klx n GLY 70 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1klx h LYS 71 N 0.00 0.30 -0.01 1.61 3.64 -1.92 -3.38 116.57 116.80 1klx h LYS 71 Ca -0.30 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.56 1klx h LYS 71 Cb 1.18 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1klx h LYS 71 CO 0.37 1.25 -0.35 0.66 -2.27 0.00 0.00 179.45 179.10 1klx n TYR 72 N -3.56 0.00 -3.64 1.91 4.02 -1.26 -4.96 117.16 109.67 1klx n TYR 72 Ca -0.29 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.49 1klx n TYR 72 Cb 1.04 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.33 1klx n TYR 72 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1klx s VAL 73 N -2.05 0.03 0.23 -0.72 -7.23 -1.26 -5.01 120.40 104.39 1klx s VAL 73 Ca 0.16 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 1klx s VAL 73 Cb 0.15 -1.34 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 1klx s VAL 73 CO 0.44 -0.14 1.25 -0.75 -0.31 0.00 0.00 175.10 175.59 1klx s LYS 74 N -3.83 4.44 0.08 4.82 2.20 -1.26 -4.13 119.74 122.06 1klx s LYS 74 Ca 0.06 2.01 -0.33 0.00 -0.36 0.00 0.00 55.97 57.34 1klx s LYS 74 Cb -0.00 -3.18 -0.13 0.00 -1.51 0.00 0.00 37.83 33.01 1klx s LYS 74 CO -0.07 -0.13 1.72 1.17 -0.36 0.00 0.00 175.35 177.68 1klx n LYS 75 N 2.02 2.28 -3.40 4.03 4.81 -1.26 -4.76 118.16 121.88 1klx n LYS 75 Ca 0.03 0.83 -0.19 0.00 -0.87 0.00 0.00 58.31 58.11 1klx n LYS 75 Cb 0.43 -2.65 -0.10 0.00 0.02 0.00 0.00 35.03 32.74 1klx n LYS 75 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1klx s ASP 76 N 2.23 1.80 0.40 3.14 -1.08 0.36 -4.98 116.67 118.52 1klx s ASP 76 Ca 0.84 -1.27 0.07 0.00 -0.52 0.00 0.00 52.55 51.66 1klx s ASP 76 Cb -0.65 0.35 0.82 0.00 -1.46 0.00 0.00 42.92 41.98 1klx s ASP 76 CO 0.42 -0.34 2.04 -0.07 0.52 0.00 0.00 175.17 177.74 1klx h LEU 77 N 7.69 0.53 -0.23 -1.34 3.38 -1.91 0.73 115.31 124.17 1klx h LEU 77 Ca -0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1klx h LEU 77 Cb 1.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1klx h LEU 77 CO 0.29 0.38 -0.39 0.03 0.09 0.00 0.00 178.44 178.83 1klx h ARG 78 N 0.62 0.68 -0.12 1.13 3.08 -1.90 -2.19 114.38 115.68 1klx h ARG 78 Ca 0.19 -0.42 -0.14 0.00 0.07 0.00 0.00 59.98 59.68 1klx h ARG 78 Cb 0.01 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1klx h ARG 78 CO -0.05 1.03 -0.53 -0.22 -1.07 0.00 0.00 179.97 179.14 1klx h LYS 79 N 0.39 0.35 -0.50 0.04 1.63 -1.71 -1.59 116.57 115.18 1klx h LYS 79 Ca 0.02 -0.21 0.06 0.00 -0.85 0.00 0.00 60.65 59.66 1klx h LYS 79 Cb 0.99 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.59 1klx h LYS 79 CO 0.09 0.80 0.21 0.00 -3.45 0.00 0.00 179.45 177.10 1klx h ALA 80 N 1.16 0.63 -0.63 5.00 0.00 -0.80 -2.22 119.26 122.39 1klx h ALA 80 Ca 0.01 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1klx h ALA 80 Cb 1.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1klx h ALA 80 CO 0.09 -0.16 0.12 0.00 0.00 0.00 0.00 179.25 179.29 1klx h ALA 81 N 1.30 1.01 -1.01 0.00 0.00 -1.14 -0.72 119.26 118.71 1klx h ALA 81 Ca 0.23 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1klx h ALA 81 Cb 0.20 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1klx h ALA 81 CO -0.20 0.63 0.64 1.96 0.00 0.00 0.00 179.25 182.28 1klx h GLN 82 N 0.96 1.04 -0.15 0.00 4.20 -0.70 0.12 115.11 120.58 1klx h GLN 82 Ca 0.20 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 1klx h GLN 82 Cb 0.40 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1klx h GLN 82 CO 0.01 0.69 -0.52 1.88 -0.67 0.00 0.00 178.83 180.21 1klx h TYR 83 N 1.07 0.81 -0.47 2.96 0.99 -1.01 -0.36 116.97 120.96 1klx h TYR 83 Ca 0.47 -0.34 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 1klx h TYR 83 Cb 0.36 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.94 1klx h TYR 83 CO -0.00 1.12 0.20 1.88 -0.00 0.00 0.00 178.16 181.36 1klx h TYR 84 N 0.27 0.65 -0.45 4.88 0.99 -0.91 0.52 116.97 122.92 1klx h TYR 84 Ca -0.02 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 1klx h TYR 84 Cb 1.15 -0.21 -0.01 0.00 1.00 0.00 0.00 36.73 38.66 1klx h TYR 84 CO 0.10 0.50 -0.15 1.03 -0.00 0.00 0.00 178.16 179.64 1klx h SER 85 N 0.65 0.91 -0.72 3.88 0.87 -0.70 0.87 113.55 119.31 1klx h SER 85 Ca 0.16 -0.38 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 1klx h SER 85 Cb 0.10 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1klx h SER 85 CO -0.02 1.08 0.27 0.50 -0.53 0.00 0.00 176.83 178.13 1klx h LYS 86 N 0.73 1.10 -0.32 2.24 3.64 -0.65 0.71 116.57 124.01 1klx h LYS 86 Ca 0.11 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1klx h LYS 86 Cb 0.71 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1klx h LYS 86 CO 0.05 0.91 0.18 0.00 -2.27 0.00 0.00 179.45 178.33 1klx h ALA 87 N 1.13 0.41 -0.84 5.00 0.00 -0.68 -1.39 119.26 122.89 1klx h ALA 87 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1klx h ALA 87 Cb 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1klx h ALA 87 CO -0.02 -0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.58 1klx h GLY 89 N 1.20 0.00 -1.64 0.00 0.00 -0.55 -1.34 103.07 100.75 1klx h GLY 89 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1klx h GLY 89 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.54 1klx n LEU 90 N -4.23 2.37 -2.69 3.11 4.77 -0.55 -4.91 117.00 114.86 1klx n LEU 90 Ca -0.03 -1.20 -0.18 0.00 -0.03 0.00 0.00 56.01 54.57 1klx n LEU 90 Cb 0.09 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1klx n LEU 90 CO 0.31 0.42 0.12 0.59 -1.33 0.00 0.00 177.39 177.50 1klx n ASN 91 N 0.34 -5.29 -4.63 -1.43 3.02 -0.50 -4.72 115.26 102.05 1klx n ASN 91 Ca 0.11 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.90 1klx n ASN 91 Cb 0.47 -3.99 -0.05 0.00 -0.61 0.00 0.00 39.78 35.60 1klx n ASN 91 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1klx s ASP 92 N -3.06 6.74 0.16 6.41 -1.08 -0.38 -4.95 116.67 120.52 1klx s ASP 92 Ca 0.37 0.83 -0.16 0.00 -0.52 0.00 0.00 52.55 53.07 1klx s ASP 92 Cb -0.16 -2.42 0.09 0.00 -1.46 0.00 0.00 42.92 38.97 1klx s ASP 92 CO 0.46 -0.58 1.71 -0.61 0.52 0.00 0.00 175.17 176.67 1klx h GLN 93 N 7.94 0.15 -0.14 4.34 4.15 -1.88 -1.17 115.11 128.49 1klx h GLN 93 Ca -0.24 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.00 1klx h GLN 93 Cb 1.09 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 1klx h GLN 93 CO 0.88 0.10 -0.63 -0.44 -1.93 0.00 0.00 178.83 176.81 1klx h ASP 94 N 0.15 0.57 -0.39 -0.69 3.32 -1.96 -1.78 116.42 115.65 1klx h ASP 94 Ca 0.18 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1klx h ASP 94 Cb 0.24 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1klx h ASP 94 CO -0.27 1.06 0.15 1.23 -1.72 0.00 0.00 179.24 179.68 1klx h GLY 95 N 1.13 0.50 1.21 2.75 0.00 -1.75 0.78 103.07 107.69 1klx h GLY 95 Ca -0.01 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.02 1klx h GLY 95 CO 0.11 0.04 -0.73 0.00 0.00 0.00 0.00 176.54 175.96 1klx h LEU 97 N 0.55 -0.50 -0.60 0.00 5.85 -0.76 -0.47 115.31 119.39 1klx h LEU 97 Ca -0.04 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1klx h LEU 97 Cb 1.35 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 1klx h LEU 97 CO 0.15 -0.28 0.33 0.40 -0.34 0.00 0.00 178.44 178.70 1klx h ILE 98 N -0.41 0.99 -0.73 4.05 2.04 -0.85 -1.75 117.51 120.85 1klx h ILE 98 Ca 0.00 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1klx h ILE 98 Cb 0.38 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1klx h ILE 98 CO -0.05 0.12 0.42 0.25 0.00 0.00 0.00 178.15 178.88 1klx h LEU 99 N 0.63 0.63 -1.33 1.44 5.85 -0.92 -2.08 115.31 119.53 1klx h LEU 99 Ca 0.26 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1klx h LEU 99 Cb 0.13 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1klx h LEU 99 CO -0.15 0.40 0.07 1.23 -0.34 0.00 0.00 178.44 179.65 1klx h GLY 100 N 0.76 0.56 1.11 3.75 0.00 -0.19 -0.14 103.07 108.92 1klx h GLY 100 Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1klx h GLY 100 CO -0.19 0.28 0.33 -0.97 0.00 0.00 0.00 176.54 175.99 1klx h TYR 101 N 0.51 1.15 -0.44 5.60 -1.99 -1.08 -0.92 116.97 119.80 1klx h TYR 101 Ca 0.12 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 1klx h TYR 101 Cb 0.22 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 1klx h TYR 101 CO 0.01 0.86 -0.07 0.87 -0.00 0.00 0.00 178.16 179.83 1klx h LYS 102 N 1.12 0.83 -0.55 4.88 1.79 -0.72 -2.20 116.57 121.71 1klx h LYS 102 Ca 0.26 -0.30 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 1klx h LYS 102 Cb 0.18 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1klx h LYS 102 CO -0.03 0.92 0.11 1.96 -1.08 0.00 0.00 179.45 181.34 1klx h GLN 103 N 0.66 0.86 -0.09 3.15 4.20 -0.85 0.28 115.11 123.33 1klx h GLN 103 Ca 0.12 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 1klx h GLN 103 Cb 0.59 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1klx h GLN 103 CO 0.04 0.79 -0.57 -0.92 -0.67 0.00 0.00 178.83 177.49 1klx h TYR 104 N 0.83 0.35 0.00 2.96 3.20 -1.01 0.78 116.97 124.08 1klx h TYR 104 Ca 0.18 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1klx h TYR 104 Cb 0.33 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1klx h TYR 104 CO 0.02 0.78 -1.05 0.00 -1.64 0.00 0.00 178.16 176.27 1klx n ALA 105 N -2.48 3.25 -2.54 1.82 0.00 -0.84 -4.64 120.51 115.08 1klx n ALA 105 Ca -0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1klx n ALA 105 Cb 0.60 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.08 1klx n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1klx n GLY 106 N 1.34 0.17 3.38 0.00 0.00 0.83 -4.84 105.19 106.07 1klx n GLY 106 Ca 0.01 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.17 1klx n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1klx s LYS 107 N -4.96 3.04 0.00 1.61 2.20 -0.18 -3.88 119.74 117.57 1klx s LYS 107 Ca 0.12 -1.29 0.00 0.00 -0.36 0.00 0.00 55.97 54.43 1klx s LYS 107 Cb -0.05 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 1klx s LYS 107 CO 0.14 -1.33 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 1klx n GLY 108 N 5.23 0.96 3.32 5.54 0.00 -1.26 -4.78 105.19 114.20 1klx n GLY 108 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1klx n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1klx s VAL 109 N -3.83 0.07 0.36 1.61 -7.23 -1.25 -3.96 120.40 106.16 1klx s VAL 109 Ca 0.00 -1.43 -0.28 0.00 -1.81 0.00 0.00 61.98 58.46 1klx s VAL 109 Cb 0.00 -1.86 -0.11 0.00 0.56 0.00 0.00 36.38 34.98 1klx s VAL 109 CO 0.00 -0.31 1.46 -0.69 -0.31 0.00 0.00 175.10 175.25 1klx s VAL 110 N -3.97 2.18 -0.14 1.32 1.01 -1.26 -4.32 120.40 115.21 1klx s VAL 110 Ca 0.18 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1klx s VAL 110 Cb 0.04 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1klx s VAL 110 CO 0.00 0.04 1.46 -0.75 0.00 0.00 0.00 175.10 175.85 1klx s LYS 111 N -1.91 4.13 -0.37 2.72 2.20 -1.26 -4.59 119.74 120.65 1klx s LYS 111 Ca 0.53 1.82 0.02 0.00 -0.36 0.00 0.00 55.97 57.98 1klx s LYS 111 Cb -0.45 -3.89 0.15 0.00 -1.51 0.00 0.00 37.83 32.13 1klx s LYS 111 CO 0.60 -0.87 0.34 1.21 -0.36 0.00 0.00 175.35 176.26 1klx s ASN 112 N 2.86 1.58 0.34 1.43 3.84 0.26 -4.93 114.94 120.33 1klx s ASN 112 Ca 0.64 -1.72 0.02 0.00 0.21 0.00 0.00 52.86 52.01 1klx s ASN 112 Cb -0.26 0.34 0.60 0.00 -0.55 0.00 0.00 41.25 41.38 1klx s ASN 112 CO 0.23 -0.27 1.96 -0.33 -2.79 0.00 0.00 177.10 175.89 1klx h GLU 113 N 7.05 0.76 -0.26 0.43 5.08 -1.85 -0.42 114.58 125.38 1klx h GLU 113 Ca 0.05 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1klx h GLU 113 Cb 1.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1klx h GLU 113 CO 0.21 0.58 0.16 0.87 -1.00 0.00 0.00 179.01 179.83 1klx h LYS 114 N 0.77 0.35 -0.46 2.33 1.57 -1.95 -0.09 116.57 119.08 1klx h LYS 114 Ca 0.19 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1klx h LYS 114 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1klx h LYS 114 CO -0.03 0.27 0.19 0.37 -0.57 0.00 0.00 179.45 179.68 1klx h GLN 115 N 0.33 0.69 -0.46 3.15 4.15 -1.89 -2.75 115.11 118.32 1klx h GLN 115 Ca 0.09 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.45 1klx h GLN 115 Cb 0.01 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.54 1klx h GLN 115 CO -0.02 0.62 0.17 0.00 -1.93 0.00 0.00 178.83 177.67 1klx h ALA 116 N 1.03 0.55 -0.74 3.38 0.00 -0.44 -0.30 119.26 122.75 1klx h ALA 116 Ca 0.15 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1klx h ALA 116 Cb 0.19 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1klx h ALA 116 CO -0.01 -0.22 0.40 0.28 0.00 0.00 0.00 179.25 179.70 1klx h VAL 117 N 0.34 0.91 -0.55 0.00 2.07 -0.87 -0.05 116.25 118.11 1klx h VAL 117 Ca 0.21 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1klx h VAL 117 Cb 0.21 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1klx h VAL 117 CO -0.21 0.13 -0.03 0.11 0.02 0.00 0.00 177.57 177.59 1klx h LYS 118 N 0.70 0.96 -0.79 1.57 1.57 -1.04 -1.01 116.57 118.53 1klx h LYS 118 Ca 0.35 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1klx h LYS 118 Cb 0.30 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1klx h LYS 118 CO -0.23 0.96 0.35 1.15 -0.57 0.00 0.00 179.45 181.12 1klx h THR 119 N 0.88 1.26 -0.80 -0.16 2.02 -0.44 -2.34 112.91 113.33 1klx h THR 119 Ca 0.16 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1klx h THR 119 Cb 0.55 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1klx h THR 119 CO 0.03 0.32 0.39 -0.26 0.37 0.00 0.00 175.52 176.37 1klx h PHE 120 N 1.13 1.15 -0.91 3.16 0.05 -0.75 -0.96 116.94 119.81 1klx h PHE 120 Ca 0.27 -0.05 0.01 0.00 3.82 0.00 0.00 57.97 62.02 1klx h PHE 120 Cb 0.17 -0.36 -0.05 0.00 2.00 0.00 0.00 35.95 37.71 1klx h PHE 120 CO 0.02 0.83 0.60 0.93 -0.18 0.00 0.00 178.31 180.51 1klx h GLU 121 N 1.14 1.19 -0.46 1.51 5.08 -0.92 0.57 114.58 122.68 1klx h GLU 121 Ca 0.28 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1klx h GLU 121 Cb 0.11 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1klx h GLU 121 CO -0.04 0.79 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.32 1klx h LYS 122 N 1.22 0.96 -0.58 2.33 3.64 -0.91 0.09 116.57 123.33 1klx h LYS 122 Ca 0.34 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1klx h LYS 122 Cb -0.12 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1klx h LYS 122 CO -0.08 1.09 0.06 0.00 -2.27 0.00 0.00 179.45 178.25 1klx h ALA 123 N 0.85 1.02 -0.34 5.00 0.00 -0.66 0.16 119.26 125.29 1klx h ALA 123 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1klx h ALA 123 Cb 0.79 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1klx h ALA 123 CO 0.07 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.96 1klx h ARG 125 N 0.40 0.88 0.00 0.00 3.08 -0.20 -1.27 114.38 117.28 1klx h ARG 125 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1klx h ARG 125 Cb 0.41 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1klx h ARG 125 CO 0.01 0.58 0.00 1.28 -1.07 0.00 0.00 179.97 180.78 1klx n LEU 126 N -4.54 0.00 0.00 3.04 4.77 -0.03 -4.84 117.00 115.40 1klx n LEU 126 Ca 0.16 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1klx n LEU 126 Cb 0.31 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1klx n LEU 126 CO 0.31 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1klx n GLY 127 N 0.59 1.10 3.57 -0.72 0.00 -0.48 -4.83 105.19 104.43 1klx n GLY 127 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1klx n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1klx s SER 128 N -2.01 6.52 0.12 1.61 0.15 0.04 -4.89 113.70 115.25 1klx s SER 128 Ca 0.00 0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.67 1klx s SER 128 Cb 0.00 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1klx s SER 128 CO 0.00 -1.13 1.61 -0.33 1.20 0.00 0.00 173.24 174.59 1klx h GLU 129 N 9.15 0.59 -0.88 5.44 5.08 -1.89 -1.70 114.58 130.38 1klx h GLU 129 Ca -0.24 -0.15 0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1klx h GLU 129 Cb 1.07 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.15 1klx h GLU 129 CO 1.06 0.64 0.48 -0.44 -1.00 0.00 0.00 179.01 179.75 1klx h ASP 130 N 0.44 0.62 -0.37 1.42 5.19 -1.97 0.20 116.42 121.95 1klx h ASP 130 Ca 0.11 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.56 1klx h ASP 130 Cb 0.32 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1klx h ASP 130 CO 0.00 0.28 0.04 0.00 -3.12 0.00 0.00 179.24 176.44 1klx h ALA 131 N 1.55 0.49 -0.82 3.45 0.00 -1.77 0.12 119.26 122.28 1klx h ALA 131 Ca 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1klx h ALA 131 Cb 0.62 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1klx h ALA 131 CO -0.34 0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.59 1klx h GLY 133 N 1.16 0.42 0.45 0.00 0.00 -0.03 -2.51 103.07 102.57 1klx h GLY 133 Ca 0.29 -0.50 0.10 0.00 0.00 0.00 0.00 47.33 47.22 1klx h GLY 133 CO -0.05 0.45 0.37 -2.22 0.00 0.00 0.00 176.54 175.09 1klx h ILE 134 N 0.29 0.84 0.00 2.60 2.04 -0.46 -3.51 117.51 119.32 1klx h ILE 134 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1klx h ILE 134 Cb 1.08 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1klx h ILE 134 CO 0.10 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.54