#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm0 n ALA 2 N 0.00 -1.37 -2.57 3.04 0.00 -1.26 -4.62 120.51 113.73 1xm0 n ALA 2 Ca 0.00 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1xm0 n ALA 2 Cb 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1xm0 n ALA 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xm0 s TYR 3 N -0.92 3.18 -0.27 0.00 1.13 -1.26 -4.70 117.35 114.50 1xm0 s TYR 3 Ca 0.00 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.16 1xm0 s TYR 3 Cb 0.00 -2.96 0.06 0.00 -1.10 0.00 0.00 41.96 37.96 1xm0 s TYR 3 CO 0.00 -0.74 -0.08 -0.80 -2.51 0.00 0.00 175.55 171.43 1xm0 s ASN 4 N 2.01 4.58 0.09 -0.18 0.01 -1.26 -4.99 114.94 115.19 1xm0 s ASN 4 Ca 0.10 -1.34 -0.12 0.00 -0.71 0.00 0.00 52.86 50.78 1xm0 s ASN 4 Cb -0.19 -1.60 -0.18 0.00 0.41 0.00 0.00 41.25 39.69 1xm0 s ASN 4 CO 0.12 -0.21 1.26 0.50 -1.51 0.00 0.00 177.10 177.25 1xm0 h LYS 5 N 7.85 0.72 -0.30 -0.60 3.11 -1.96 -2.55 116.57 122.84 1xm0 h LYS 5 Ca -0.20 -0.68 -0.12 0.00 -2.81 0.00 0.00 60.65 56.84 1xm0 h LYS 5 Cb 1.05 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 1xm0 h LYS 5 CO 0.49 1.27 -0.30 0.93 -2.81 0.00 0.00 179.45 179.03 1xm0 h GLU 6 N 0.44 0.61 -0.29 1.90 3.07 -1.94 -1.90 114.58 116.48 1xm0 h GLU 6 Ca -0.09 -0.26 0.01 0.00 -0.50 0.00 0.00 59.36 58.51 1xm0 h GLU 6 Cb 1.56 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.43 1xm0 h GLU 6 CO 0.18 0.84 0.19 1.05 -1.40 0.00 0.00 179.01 179.87 1xm0 h GLU 7 N 0.53 0.36 -0.54 2.33 -0.00 -1.84 -0.01 114.58 115.41 1xm0 h GLU 7 Ca 0.07 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.36 59.32 1xm0 h GLU 7 Cb 0.78 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 29.42 1xm0 h GLU 7 CO 0.06 0.24 -0.01 -0.22 -0.00 0.00 0.00 179.01 179.08 1xm0 h LYS 8 N 0.37 0.92 0.00 1.06 3.64 -0.92 0.75 116.57 122.40 1xm0 h LYS 8 Ca 0.11 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1xm0 h LYS 8 Cb -0.02 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1xm0 h LYS 8 CO -0.02 0.92 0.00 0.82 -2.27 0.00 0.00 179.45 178.90 1xm0 h ILE 9 N 0.85 0.00 -0.36 2.00 1.08 -0.66 -1.23 117.51 119.20 1xm0 h ILE 9 Ca 0.16 -0.31 -0.27 0.00 -0.39 0.00 0.00 64.86 64.04 1xm0 h ILE 9 Cb 0.52 1.11 -0.27 0.00 -3.07 0.00 0.00 36.82 35.10 1xm0 h ILE 9 CO 0.03 0.00 -0.78 2.29 -0.69 0.00 0.00 178.15 179.00 1xm0 n LYS 10 N -2.36 2.22 0.00 2.37 2.85 -0.39 -4.95 118.16 117.91 1xm0 n LYS 10 Ca 0.02 -3.52 0.00 0.00 -1.05 0.00 0.00 58.31 53.76 1xm0 n LYS 10 Cb 0.27 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 1xm0 n LYS 10 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1xm0 n SER 11 N -0.69 0.00 0.00 -5.58 7.64 0.25 -4.93 113.62 110.32 1xm0 n SER 11 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1xm0 n SER 11 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1xm0 n SER 11 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1xm0 n LEU 12 N 0.00 0.00 -4.63 -3.43 0.00 -0.62 -4.81 117.00 103.51 1xm0 n LEU 12 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.66 1xm0 n LEU 12 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 1xm0 n LEU 12 CO 0.00 0.00 -0.25 0.54 0.00 0.00 0.00 177.39 177.68 1xm0 s ASN 13 N -4.00 5.64 0.64 1.96 4.22 -1.26 -2.42 114.94 119.71 1xm0 s ASN 13 Ca 0.00 0.07 0.32 0.00 -2.14 0.00 0.00 52.86 51.11 1xm0 s ASN 13 Cb 0.00 -1.97 1.75 0.00 1.28 0.00 0.00 41.25 42.31 1xm0 s ASN 13 CO 0.00 0.16 2.03 0.03 -2.04 0.00 0.00 177.10 177.28 1xm0 h ARG 14 N 6.81 0.00 -0.13 3.55 2.47 -1.90 0.35 114.38 125.52 1xm0 h ARG 14 Ca -0.37 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.23 1xm0 h ARG 14 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1xm0 h ARG 14 CO 0.70 0.00 -0.37 0.00 0.56 0.00 0.00 179.97 180.86 1xm0 h MET 15 N 0.00 0.48 -0.89 0.04 -0.00 -1.92 -3.21 114.93 109.43 1xm0 h MET 15 Ca 0.05 -0.34 0.12 0.00 -0.00 0.00 0.00 59.70 59.53 1xm0 h MET 15 Cb 0.59 0.06 -0.07 0.00 -0.00 0.00 0.00 31.60 32.17 1xm0 h MET 15 CO -0.00 0.96 0.57 0.37 -0.00 0.00 0.00 176.91 178.82 1xm0 h GLN 16 N 0.09 0.76 -1.01 -0.10 4.15 -0.71 0.23 115.11 118.52 1xm0 h GLN 16 Ca -0.01 -0.05 0.25 0.00 0.77 0.00 0.00 58.65 59.62 1xm0 h GLN 16 Cb 0.99 -0.17 -0.12 0.00 0.21 0.00 0.00 27.48 28.38 1xm0 h GLN 16 CO 0.08 0.51 0.61 -0.92 -1.93 0.00 0.00 178.83 177.17 1xm0 h TYR 17 N 0.79 0.96 -0.13 3.99 5.03 -1.49 1.18 116.97 127.30 1xm0 h TYR 17 Ca 0.43 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.64 1xm0 h TYR 17 Cb 0.57 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1xm0 h TYR 17 CO -0.00 0.05 -0.50 0.93 -1.32 0.00 0.00 178.16 177.32 1xm0 h GLU 18 N 0.54 0.35 -0.50 1.82 5.08 -0.70 -2.55 114.58 118.63 1xm0 h GLU 18 Ca 0.64 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1xm0 h GLU 18 Cb 1.29 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1xm0 h GLU 18 CO -0.46 0.78 0.25 -0.39 -1.00 0.00 0.00 179.01 178.19 1xm0 h VAL 19 N 0.28 1.17 -0.00 3.13 -1.51 0.18 0.96 116.25 120.46 1xm0 h VAL 19 Ca 0.01 -0.45 -0.15 0.00 -1.23 0.00 0.00 66.70 64.88 1xm0 h VAL 19 Cb 0.98 0.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.63 1xm0 h VAL 19 CO 0.08 0.19 -0.72 0.71 -1.23 0.00 0.00 177.57 176.60 1xm0 h THR 20 N 0.70 1.52 -0.01 7.19 1.35 -1.11 1.76 112.91 124.31 1xm0 h THR 20 Ca 0.18 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 1xm0 h THR 20 Cb 0.06 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1xm0 h THR 20 CO -0.03 0.70 -0.23 0.00 -0.25 0.00 0.00 175.52 175.71 1xm0 n GLN 21 N -3.69 1.09 0.00 4.72 3.00 0.06 -4.45 117.38 118.10 1xm0 n GLN 21 Ca -0.01 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 1xm0 n GLN 21 Cb 0.70 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1xm0 n GLN 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1xm0 n ASN 22 N -0.35 1.32 -0.87 1.08 2.85 0.31 -5.03 115.26 114.58 1xm0 n ASN 22 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1xm0 n ASN 22 Cb 0.37 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.46 1xm0 n ASN 22 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1xm0 n ASN 23 N -1.40 -1.16 -4.17 1.20 5.15 0.60 -5.03 115.26 110.45 1xm0 n ASN 23 Ca 0.00 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.59 1xm0 n ASN 23 Cb 0.15 -0.29 -0.10 0.00 -0.53 0.00 0.00 39.78 39.00 1xm0 n ASN 23 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1xm0 s GLY 24 N -2.57 2.00 -0.52 8.20 0.00 -1.16 -5.05 107.32 108.22 1xm0 s GLY 24 Ca 0.00 -2.48 -0.28 0.00 0.00 0.00 0.00 44.72 41.96 1xm0 s GLY 24 CO 0.00 1.05 1.36 -1.59 0.00 0.00 0.00 173.10 173.92 1xm0 s THR 25 N 1.27 3.88 -0.37 0.90 2.01 -1.26 -4.83 115.64 117.24 1xm0 s THR 25 Ca 0.06 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 1xm0 s THR 25 Cb -0.24 -4.44 0.01 0.00 0.01 0.00 0.00 72.50 67.83 1xm0 s THR 25 CO -0.02 -1.09 1.38 -0.70 -0.69 0.00 0.00 174.62 173.50 1xm0 s GLU 26 N 5.21 3.70 0.37 4.92 -6.30 -1.26 -5.02 118.70 120.32 1xm0 s GLU 26 Ca 0.53 1.07 -0.16 0.00 -2.50 0.00 0.00 54.97 53.90 1xm0 s GLU 26 Cb -0.11 -3.98 -0.09 0.00 0.00 0.00 0.00 34.13 29.96 1xm0 s GLU 26 CO 0.27 -1.40 0.81 -1.25 0.02 0.00 0.00 175.26 173.71 1xm0 s PRO 27 N 4.66 4.05 -0.11 4.30 0.04 -1.26 -4.99 135.00 141.69 1xm0 s PRO 27 Ca 0.60 0.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 1xm0 s PRO 27 Cb -0.15 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1xm0 s PRO 27 CO 0.29 0.07 -0.06 -1.00 0.04 0.00 0.00 177.00 176.34 1xm0 h PRO 28 N 2.02 0.00 -3.58 0.56 0.13 -1.96 -3.50 132.00 125.66 1xm0 h PRO 28 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1xm0 h PRO 28 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1xm0 h PRO 28 CO 0.64 0.00 -0.95 1.19 -0.23 0.00 0.00 178.00 178.65 1xm0 n PHE 29 N -4.70 -4.11 0.00 1.56 3.01 -1.26 -4.75 117.46 107.21 1xm0 n PHE 29 Ca -0.02 2.23 0.00 0.00 1.01 0.00 0.00 57.45 60.66 1xm0 n PHE 29 Cb 0.09 -3.49 0.00 0.00 -0.01 0.00 0.00 39.48 36.07 1xm0 n PHE 29 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1xm0 n GLN 30 N -2.65 0.00 -2.92 -1.08 0.00 -1.26 -4.68 117.38 104.79 1xm0 n GLN 30 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 57.03 1xm0 n GLN 30 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.72 1xm0 n GLN 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1xm0 s ASN 31 N 0.00 -0.39 0.24 1.69 2.20 -1.26 -5.00 114.94 112.42 1xm0 s ASN 31 Ca 0.00 -0.11 -0.07 0.00 -0.94 0.00 0.00 52.86 51.74 1xm0 s ASN 31 Cb 0.00 0.76 0.23 0.00 -2.00 0.00 0.00 41.25 40.24 1xm0 s ASN 31 CO 0.00 -0.05 1.89 -0.33 -2.94 0.00 0.00 177.10 175.66 1xm0 h GLU 32 N 6.12 1.27 0.00 3.55 5.08 -1.84 -2.20 114.58 126.56 1xm0 h GLU 32 Ca -0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1xm0 h GLU 32 Cb 1.21 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xm0 h GLU 32 CO -0.08 0.89 -0.36 1.88 -1.00 0.00 0.00 179.01 180.34 1xm0 h TYR 33 N 1.29 0.00 -3.22 4.33 0.05 -1.88 0.65 116.97 118.20 1xm0 h TYR 33 Ca 0.34 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.99 1xm0 h TYR 33 Cb -0.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1xm0 h TYR 33 CO 0.00 0.00 -0.15 1.87 -1.05 0.00 0.00 178.16 178.84 1xm0 n TRP 34 N -2.35 -1.26 -3.02 4.88 -0.00 -0.83 -1.36 117.44 113.50 1xm0 n TRP 34 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.48 1xm0 n TRP 34 Cb 0.46 -1.86 0.03 0.00 -0.00 0.00 0.00 31.31 29.94 1xm0 n TRP 34 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1xm0 n ASP 35 N -0.83 -6.93 -1.33 5.87 8.00 -1.26 -4.95 116.55 115.13 1xm0 n ASP 35 Ca -0.07 -0.32 -0.05 0.00 0.71 0.00 0.00 54.79 55.06 1xm0 n ASP 35 Cb 0.41 -4.95 0.22 0.00 -0.02 0.00 0.00 41.12 36.77 1xm0 n ASP 35 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1xm0 n HIS 36 N -2.32 1.45 0.00 1.24 8.25 -0.47 -5.03 115.22 118.35 1xm0 n HIS 36 Ca -0.03 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1xm0 n HIS 36 Cb 0.55 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1xm0 n HIS 36 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1xm0 n LYS 37 N -0.93 1.33 -1.14 -0.41 2.85 -1.26 -4.86 118.16 113.73 1xm0 n LYS 37 Ca 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1xm0 n LYS 37 Cb 1.13 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.51 1xm0 n LYS 37 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xm0 n GLU 38 N -0.33 -2.81 -1.50 -1.58 1.02 -1.26 -4.82 120.64 109.36 1xm0 n GLU 38 Ca 0.00 2.13 -0.59 0.00 -0.02 0.00 0.00 57.16 58.68 1xm0 n GLU 38 Cb 0.00 -2.18 -0.08 0.00 -0.02 0.00 0.00 31.44 29.15 1xm0 n GLU 38 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xm0 n GLU 39 N 0.51 0.00 -3.94 3.49 0.00 -1.26 -4.57 120.64 114.86 1xm0 n GLU 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1xm0 n GLU 39 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.06 1xm0 n GLU 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xm0 n GLY 40 N 2.51 -0.74 3.31 -1.84 0.00 -1.26 0.98 105.19 108.16 1xm0 n GLY 40 Ca 0.23 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1xm0 n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xm0 s LEU 41 N 0.00 2.22 0.10 0.99 2.01 0.26 0.23 118.68 124.49 1xm0 s LEU 41 Ca 0.00 -0.61 -0.18 0.00 0.01 0.00 0.00 54.13 53.35 1xm0 s LEU 41 Cb 0.00 -1.10 -0.07 0.00 0.01 0.00 0.00 46.19 45.04 1xm0 s LEU 41 CO 0.00 0.17 0.57 -0.31 1.01 0.00 0.00 176.35 177.80 1xm0 s TYR 42 N -0.91 3.74 -0.14 0.29 1.51 0.87 0.85 117.35 123.56 1xm0 s TYR 42 Ca 0.10 1.22 -0.05 0.00 -1.01 0.00 0.00 57.07 57.32 1xm0 s TYR 42 Cb -0.10 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 1xm0 s TYR 42 CO 0.03 0.53 0.03 0.08 -1.11 0.00 0.00 175.55 175.11 1xm0 s VAL 43 N -1.24 4.57 -0.34 0.71 1.01 1.04 -0.99 120.40 125.15 1xm0 s VAL 43 Ca 0.32 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1xm0 s VAL 43 Cb -0.18 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1xm0 s VAL 43 CO 0.19 0.54 1.25 -0.62 0.00 0.00 0.00 175.10 176.46 1xm0 s ASP 44 N -0.24 6.67 0.00 3.32 2.15 0.73 -1.86 116.67 127.45 1xm0 s ASP 44 Ca 0.07 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.08 1xm0 s ASP 44 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1xm0 s ASP 44 CO 0.02 -1.11 0.00 -0.38 -0.17 0.00 0.00 175.17 173.52 1xm0 n ILE 45 N 6.35 0.00 -2.08 4.11 -0.00 -1.03 -4.30 119.36 122.42 1xm0 n ILE 45 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.89 1xm0 n ILE 45 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 39.64 40.11 1xm0 n ILE 45 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1xm0 n VAL 46 N -0.06 0.00 0.00 1.39 0.31 -1.26 -4.92 118.33 113.79 1xm0 n VAL 46 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1xm0 n VAL 46 Cb 0.00 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 1xm0 n VAL 46 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xm0 n SER 47 N 0.08 0.00 -0.09 4.52 2.88 -1.26 -2.66 113.62 117.08 1xm0 n SER 47 Ca -0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.32 1xm0 n SER 47 Cb 0.73 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.07 1xm0 n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xm0 n GLY 48 N 0.00 -0.48 3.55 0.46 0.00 -1.26 -4.80 105.19 102.65 1xm0 n GLY 48 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1xm0 n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xm0 n LYS 49 N -3.61 1.05 0.00 1.61 3.00 -1.09 -4.84 118.16 114.29 1xm0 n LYS 49 Ca -0.42 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.95 1xm0 n LYS 49 Cb 0.96 -3.22 0.00 0.00 0.00 0.00 0.00 35.03 32.77 1xm0 n LYS 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1xm0 n PRO 50 N 8.91 0.11 0.00 1.64 -0.04 -1.26 0.26 135.00 144.62 1xm0 n PRO 50 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1xm0 n PRO 50 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1xm0 n PRO 50 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xm0 n LEU 51 N 0.00 0.00 -3.63 1.53 0.00 -0.17 -2.68 117.00 112.05 1xm0 n LEU 51 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 1xm0 n LEU 51 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 1xm0 n LEU 51 CO 0.00 0.00 0.17 0.12 0.00 0.00 0.00 177.39 177.68 1xm0 s PHE 52 N 0.00 -0.25 0.24 1.96 5.36 -1.08 -4.79 117.98 119.42 1xm0 s PHE 52 Ca 0.00 0.04 0.11 0.00 -0.96 0.00 0.00 56.93 56.12 1xm0 s PHE 52 Cb 0.00 0.26 -0.05 0.00 -0.34 0.00 0.00 43.02 42.90 1xm0 s PHE 52 CO 0.00 -0.67 -0.20 0.99 -1.46 0.00 0.00 175.22 173.88 1xm0 s THR 53 N -3.35 2.34 0.56 0.12 2.01 -1.26 0.30 115.64 116.36 1xm0 s THR 53 Ca 0.00 -2.26 0.26 0.00 0.31 0.00 0.00 61.69 60.00 1xm0 s THR 53 Cb 0.01 -2.20 0.37 0.00 0.01 0.00 0.00 72.50 70.68 1xm0 s THR 53 CO -0.09 -0.34 2.04 0.28 -0.69 0.00 0.00 174.62 175.83 1xm0 h SER 54 N 2.61 0.00 -0.74 3.53 0.02 0.26 2.55 113.55 121.79 1xm0 h SER 54 Ca -0.42 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.69 1xm0 h SER 54 Cb 1.24 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 1xm0 h SER 54 CO 0.56 0.00 0.50 0.50 -1.14 0.00 0.00 176.83 177.25 1xm0 h LYS 55 N 0.00 0.32 0.00 3.45 3.64 -1.89 -2.22 116.57 119.87 1xm0 h LYS 55 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xm0 h LYS 55 Cb 0.71 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1xm0 h LYS 55 CO -0.00 0.21 0.00 -0.25 -2.27 0.00 0.00 179.45 177.14 1xm0 n ASP 56 N -4.45 0.00 0.00 4.20 9.92 0.86 -4.63 116.55 122.44 1xm0 n ASP 56 Ca 0.14 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 1xm0 n ASP 56 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1xm0 n ASP 56 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1xm0 n LYS 57 N -0.45 0.00 0.00 -1.24 3.00 -0.84 -4.13 118.16 114.51 1xm0 n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xm0 n LYS 57 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1xm0 n LYS 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1xm0 n PHE 58 N 3.12 0.00 -3.36 5.64 7.35 -1.26 -2.67 117.46 126.27 1xm0 n PHE 58 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 1xm0 n PHE 58 Cb 0.00 -0.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.54 1xm0 n PHE 58 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1xm0 n ASP 59 N -0.26 5.11 -4.77 -2.13 5.75 -1.26 -4.87 116.55 114.13 1xm0 n ASP 59 Ca 0.00 -3.23 -0.38 0.00 -0.01 0.00 0.00 54.79 51.16 1xm0 n ASP 59 Cb 0.00 -1.15 -0.02 0.00 -1.03 0.00 0.00 41.12 38.92 1xm0 n ASP 59 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1xm0 s SER 60 N -0.57 6.64 -1.12 -1.12 0.01 -1.26 -4.98 113.70 111.31 1xm0 s SER 60 Ca 0.31 2.32 -0.09 0.00 1.31 0.00 0.00 55.95 59.81 1xm0 s SER 60 Cb -0.02 -2.61 0.28 0.00 0.21 0.00 0.00 66.02 63.88 1xm0 s SER 60 CO -0.03 -0.59 1.13 0.00 0.41 0.00 0.00 173.24 174.16 1xm0 n GLN 61 N 0.22 3.57 -3.73 12.44 6.02 -1.26 -4.94 117.38 129.71 1xm0 n GLN 61 Ca 0.04 -4.46 -0.12 0.00 -0.01 0.00 0.00 57.00 52.45 1xm0 n GLN 61 Cb 0.46 -2.55 -0.02 0.00 1.02 0.00 0.00 30.24 29.15 1xm0 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xm0 h GLY 63 N 1.82 0.00 -7.55 0.00 0.00 -2.06 -3.41 103.07 91.87 1xm0 h GLY 63 Ca -0.26 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.34 1xm0 h GLY 63 CO 0.35 0.00 -0.27 -0.98 0.00 0.00 0.00 176.54 175.64 1xm0 s TRP 64 N -2.72 3.51 -0.01 5.60 0.23 -1.26 -5.04 118.94 119.24 1xm0 s TRP 64 Ca 0.00 -2.35 -0.36 0.00 -2.03 0.00 0.00 56.10 51.36 1xm0 s TRP 64 Cb 0.09 -3.41 -0.15 0.00 0.03 0.00 0.00 33.47 30.03 1xm0 s TRP 64 CO 0.81 -0.92 1.61 -0.35 0.96 0.00 0.00 176.95 179.06 1xm0 n PRO 65 N 3.97 1.62 -4.22 4.98 -0.04 -1.26 -4.98 135.00 135.07 1xm0 n PRO 65 Ca 0.05 0.59 -0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1xm0 n PRO 65 Cb 0.41 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.45 1xm0 n PRO 65 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xm0 s SER 66 N 2.03 0.71 0.07 3.54 0.15 -1.26 -4.71 113.70 114.23 1xm0 s SER 66 Ca 0.88 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1xm0 s SER 66 Cb -0.85 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.65 1xm0 s SER 66 CO 0.50 -0.70 0.22 -0.36 1.20 0.00 0.00 173.24 174.10 1xm0 s PHE 67 N -3.90 3.52 -0.28 3.44 0.08 -0.88 -4.60 117.98 115.35 1xm0 s PHE 67 Ca 0.29 0.24 -0.11 0.00 0.12 0.00 0.00 56.93 57.48 1xm0 s PHE 67 Cb 0.07 -1.76 0.11 0.00 -0.57 0.00 0.00 43.02 40.88 1xm0 s PHE 67 CO 0.06 0.58 0.63 0.99 -0.10 0.00 0.00 175.22 177.38 1xm0 s THR 68 N -1.54 -0.75 0.00 0.64 2.01 -1.09 -1.06 115.64 113.85 1xm0 s THR 68 Ca 0.35 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1xm0 s THR 68 Cb -0.13 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1xm0 s THR 68 CO 0.28 0.01 0.00 0.29 -0.69 0.00 0.00 174.62 174.51 1xm0 n LYS 69 N 5.20 0.00 -0.03 4.92 4.76 0.78 -4.59 118.16 129.20 1xm0 n LYS 69 Ca -0.13 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.28 1xm0 n LYS 69 Cb 0.51 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 1xm0 n LYS 69 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xm0 n PRO 70 N 0.00 0.19 -0.33 1.97 -0.04 -1.26 -2.15 135.00 133.38 1xm0 n PRO 70 Ca 0.00 0.30 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1xm0 n PRO 70 Cb 0.00 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1xm0 n PRO 70 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1xm0 n ILE 71 N -3.22 0.43 0.00 0.52 3.06 -1.26 -4.80 119.36 114.09 1xm0 n ILE 71 Ca -0.03 -0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 1xm0 n ILE 71 Cb 0.13 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.31 1xm0 n ILE 71 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1xm0 n GLU 72 N 0.24 0.00 0.00 9.51 -0.00 -1.26 -5.00 120.64 124.13 1xm0 n GLU 72 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 1xm0 n GLU 72 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.49 1xm0 n GLU 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1xm0 n GLU 73 N -0.13 0.00 0.00 3.44 2.13 -1.26 -5.00 120.64 119.83 1xm0 n GLU 73 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xm0 n GLU 73 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xm0 n GLU 73 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xm0 n GLU 74 N 0.00 0.23 -3.92 5.31 -0.58 -1.26 -4.69 120.64 115.73 1xm0 n GLU 74 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1xm0 n GLU 74 Cb 0.00 -1.37 -0.14 0.00 -0.57 0.00 0.00 31.44 29.36 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1xm0 s VAL 75 N 0.66 0.07 0.19 2.62 1.01 -1.26 -3.61 120.40 120.08 1xm0 s VAL 75 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1xm0 s VAL 75 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.27 1xm0 s VAL 75 CO 0.00 0.03 0.26 -1.61 0.00 0.00 0.00 175.10 173.78 1xm0 s GLU 76 N 0.06 3.26 0.06 2.72 0.41 0.62 -4.91 118.70 120.92 1xm0 s GLU 76 Ca -0.00 -0.76 -0.08 0.00 -0.41 0.00 0.00 54.97 53.72 1xm0 s GLU 76 Cb -0.01 -2.82 -0.05 0.00 -1.78 0.00 0.00 34.13 29.46 1xm0 s GLU 76 CO -0.00 0.47 0.34 -1.21 -0.49 0.00 0.00 175.26 174.37 1xm0 s GLU 77 N -3.49 3.67 0.14 1.61 2.02 -1.26 -1.49 118.70 119.90 1xm0 s GLU 77 Ca 0.33 0.03 0.06 0.00 0.02 0.00 0.00 54.97 55.41 1xm0 s GLU 77 Cb -0.10 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1xm0 s GLU 77 CO 0.27 0.58 -0.13 0.21 0.02 0.00 0.00 175.26 176.21 1xm0 s LYS 78 N -1.96 1.09 -0.14 1.61 2.47 0.19 -4.92 119.74 118.09 1xm0 s LYS 78 Ca 0.32 -1.36 -0.18 0.00 -1.56 0.00 0.00 55.97 53.20 1xm0 s LYS 78 Cb -0.13 -0.88 -0.04 0.00 -1.46 0.00 0.00 37.83 35.31 1xm0 s LYS 78 CO 0.18 0.15 0.45 -1.17 0.16 0.00 0.00 175.35 175.13 1xm0 s LEU 79 N -2.79 4.25 -0.28 5.43 0.20 -1.26 -2.25 118.68 121.98 1xm0 s LEU 79 Ca 0.13 0.74 -0.07 0.00 0.69 0.00 0.00 54.13 55.62 1xm0 s LEU 79 Cb -0.02 -2.64 -0.01 0.00 -0.43 0.00 0.00 46.19 43.09 1xm0 s LEU 79 CO 0.03 -0.01 0.08 -0.62 -0.29 0.00 0.00 176.35 175.54 1xm0 s ASP 80 N 0.69 5.15 0.00 3.68 2.15 -1.20 -4.88 116.67 122.26 1xm0 s ASP 80 Ca 0.24 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1xm0 s ASP 80 Cb -0.15 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 1xm0 s ASP 80 CO 0.09 -0.13 0.00 0.35 -0.17 0.00 0.00 175.17 175.31 1xm0 n THR 81 N 4.90 0.00 0.00 1.71 -2.24 -1.26 -4.47 114.28 112.92 1xm0 n THR 81 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1xm0 n THR 81 Cb 0.49 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1xm0 n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xm0 n SER 82 N 0.00 0.00 -2.69 3.42 3.41 -1.26 -4.78 113.62 111.72 1xm0 n SER 82 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1xm0 n SER 82 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1xm0 n SER 82 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xm0 n HIS 83 N 0.00 -1.56 0.00 7.33 -0.00 -1.26 -3.23 115.22 116.49 1xm0 n HIS 83 Ca 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 1xm0 n HIS 83 Cb 0.00 -4.00 0.00 0.00 -0.00 0.00 0.00 29.99 25.99 1xm0 n HIS 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xm0 n GLY 84 N -1.15 2.13 3.11 1.57 0.00 -1.26 -4.93 105.19 104.67 1xm0 n GLY 84 Ca -0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1xm0 n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xm0 s MET 85 N 0.00 0.45 -0.18 1.61 1.00 -1.20 -5.15 119.30 115.83 1xm0 s MET 85 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 55.69 55.40 1xm0 s MET 85 Cb 0.00 0.19 0.01 0.00 0.00 0.00 0.00 34.83 35.03 1xm0 s MET 85 CO 0.00 -0.11 -0.17 0.42 0.00 0.00 0.00 175.02 175.17 1xm0 s ILE 86 N -1.15 2.36 0.16 2.53 -1.09 -1.26 -4.39 121.20 118.36 1xm0 s ILE 86 Ca -0.12 -0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 57.39 1xm0 s ILE 86 Cb -0.06 -2.01 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 1xm0 s ILE 86 CO 0.02 0.52 0.22 -0.13 -1.23 0.00 0.00 174.94 174.33 1xm0 s ARG 87 N 1.25 1.10 -0.37 2.79 0.52 -1.26 -5.06 118.95 117.92 1xm0 s ARG 87 Ca 0.03 -1.27 -0.23 0.00 -0.52 0.00 0.00 55.73 53.74 1xm0 s ARG 87 Cb -0.14 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.68 1xm0 s ARG 87 CO -0.09 -0.38 0.80 0.99 0.02 0.00 0.00 175.30 176.64 1xm0 s THR 88 N -4.00 4.72 0.16 0.02 2.01 -1.26 -3.22 115.64 114.06 1xm0 s THR 88 Ca 0.20 0.91 -0.27 0.00 0.31 0.00 0.00 61.69 62.84 1xm0 s THR 88 Cb 0.05 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 1xm0 s THR 88 CO 0.01 -0.45 0.85 -1.61 -0.69 0.00 0.00 174.62 172.73 1xm0 s GLU 89 N 3.14 4.65 -0.24 4.92 2.02 -0.95 -2.47 118.70 129.77 1xm0 s GLU 89 Ca 0.32 1.27 -0.07 0.00 0.02 0.00 0.00 54.97 56.52 1xm0 s GLU 89 Cb -0.13 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1xm0 s GLU 89 CO 0.17 0.46 0.06 0.08 0.02 0.00 0.00 175.26 176.05 1xm0 s VAL 90 N -0.82 4.23 0.16 2.63 1.01 0.33 0.52 120.40 128.47 1xm0 s VAL 90 Ca 0.39 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1xm0 s VAL 90 Cb -0.24 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1xm0 s VAL 90 CO 0.28 0.36 -0.14 0.00 0.00 0.00 0.00 175.10 175.60 1xm0 s ARG 91 N 1.49 1.17 0.50 2.72 1.04 -0.55 0.12 118.95 125.44 1xm0 s ARG 91 Ca 0.06 -1.44 0.02 0.00 -1.04 0.00 0.00 55.73 53.32 1xm0 s ARG 91 Cb -0.15 -0.95 0.02 0.00 -2.04 0.00 0.00 34.95 31.83 1xm0 s ARG 91 CO 0.03 0.16 0.71 0.45 -0.04 0.00 0.00 175.30 176.61 1xm0 s SER 92 N -2.99 5.50 0.01 -2.89 0.15 -0.27 0.23 113.70 113.44 1xm0 s SER 92 Ca 0.17 0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.60 1xm0 s SER 92 Cb -0.01 -1.07 -0.17 0.00 -1.71 0.00 0.00 66.02 63.06 1xm0 s SER 92 CO 0.04 -0.95 1.32 -0.09 1.20 0.00 0.00 173.24 174.76 1xm0 h ARG 93 N 0.25 -0.24 -1.10 5.44 9.65 -1.94 -2.82 114.38 123.62 1xm0 h ARG 93 Ca -0.43 0.02 0.31 0.00 -1.10 0.00 0.00 59.98 58.78 1xm0 h ARG 93 Cb 1.28 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.86 1xm0 h ARG 93 CO 0.53 0.08 0.77 0.00 2.80 0.00 0.00 179.97 184.15 1xm0 h THR 94 N -0.58 0.46 0.00 0.20 1.03 -1.96 -3.45 112.91 108.61 1xm0 h THR 94 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1xm0 h THR 94 Cb 0.43 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.86 1xm0 h THR 94 CO 0.04 0.02 0.00 0.00 -0.01 0.00 0.00 175.52 175.57 1xm0 n ALA 95 N -2.69 0.00 0.64 0.00 0.00 -1.06 -4.98 120.51 112.43 1xm0 n ALA 95 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.76 1xm0 n ALA 95 Cb 1.11 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.93 1xm0 n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xm0 n ASP 96 N 0.48 0.00 -0.01 0.00 5.75 -1.26 -1.11 116.55 120.40 1xm0 n ASP 96 Ca 0.00 0.36 -0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1xm0 n ASP 96 Cb 0.00 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1xm0 n ASP 96 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1xm0 n SER 97 N -1.43 -0.04 -4.70 -1.12 7.64 -1.26 -3.59 113.62 109.12 1xm0 n SER 97 Ca 0.05 0.17 -0.44 0.00 1.01 0.00 0.00 58.87 59.66 1xm0 n SER 97 Cb 0.17 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1xm0 n SER 97 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xm0 n HIS 98 N -2.66 2.56 0.02 1.43 8.25 -1.26 -4.83 115.22 118.74 1xm0 n HIS 98 Ca 0.00 0.08 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 1xm0 n HIS 98 Cb 0.01 -2.64 -0.07 0.00 1.12 0.00 0.00 29.99 28.41 1xm0 n HIS 98 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xm0 n LEU 99 N 4.18 0.02 0.00 2.41 7.99 0.32 -2.35 117.00 129.58 1xm0 n LEU 99 Ca 0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1xm0 n LEU 99 Cb 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1xm0 n LEU 99 CO 0.64 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 1xm0 n GLY 100 N 1.96 0.00 2.88 -0.72 0.00 0.30 -0.15 105.19 109.46 1xm0 n GLY 100 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1xm0 n GLY 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xm0 s HIS 101 N 0.00 0.89 -0.05 1.61 2.46 -0.95 0.12 115.29 119.37 1xm0 s HIS 101 Ca 0.00 -0.30 0.04 0.00 0.47 0.00 0.00 55.06 55.27 1xm0 s HIS 101 Cb 0.00 -0.81 -0.03 0.00 -0.13 0.00 0.00 32.58 31.62 1xm0 s HIS 101 CO 0.00 -0.27 -0.14 0.54 -2.47 0.00 0.00 174.74 172.39 1xm0 s VAL 102 N 1.24 3.06 -0.06 0.89 0.11 -1.03 0.12 120.40 124.73 1xm0 s VAL 102 Ca -0.06 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1xm0 s VAL 102 Cb -0.14 -2.20 -0.01 0.00 -1.53 0.00 0.00 36.38 32.50 1xm0 s VAL 102 CO -0.02 0.59 -0.23 0.12 -3.33 0.00 0.00 175.10 172.23 1xm0 s PHE 103 N -0.70 2.47 0.16 1.54 2.19 0.26 -4.71 117.98 119.19 1xm0 s PHE 103 Ca 0.11 -0.63 -0.26 0.00 0.33 0.00 0.00 56.93 56.48 1xm0 s PHE 103 Cb -0.11 -1.60 -0.08 0.00 -1.31 0.00 0.00 43.02 39.92 1xm0 s PHE 103 CO 0.01 -0.16 0.78 0.54 1.83 0.00 0.00 175.22 178.22 1xm0 s ASN 104 N -0.24 7.39 0.00 6.13 4.22 -1.26 -2.49 114.94 128.69 1xm0 s ASN 104 Ca -0.01 1.65 0.00 0.00 -2.14 0.00 0.00 52.86 52.36 1xm0 s ASN 104 Cb -0.13 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 39.90 1xm0 s ASN 104 CO 0.03 0.19 0.00 0.47 -2.04 0.00 0.00 177.10 175.75 1xm0 n ASP 105 N 1.69 0.00 -0.29 3.54 8.00 -0.02 -4.91 116.55 124.57 1xm0 n ASP 105 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1xm0 n ASP 105 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1xm0 n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xm0 n GLY 106 N 0.00 -0.25 3.70 0.44 0.00 -1.26 -3.92 105.19 103.91 1xm0 n GLY 106 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1xm0 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xm0 s PRO 107 N 0.00 4.53 0.00 1.61 0.04 -1.26 -4.76 135.00 135.16 1xm0 s PRO 107 Ca 0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1xm0 s PRO 107 Cb 0.00 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1xm0 s PRO 107 CO 0.00 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1xm0 n GLY 108 N 2.95 1.29 0.19 0.56 0.00 -1.26 -4.80 105.19 104.12 1xm0 n GLY 108 Ca 0.06 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 1xm0 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xm0 h PRO 109 N 0.00 0.60 0.00 1.61 0.13 -1.89 -3.37 132.00 129.08 1xm0 h PRO 109 Ca 0.00 -0.57 -0.36 0.00 -0.87 0.00 0.00 66.00 64.19 1xm0 h PRO 109 Cb 0.00 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.21 1xm0 h PRO 109 CO 0.00 1.19 -2.37 -1.71 -0.23 0.00 0.00 178.00 174.88 1xm0 n ASN 110 N -3.84 2.12 0.00 1.44 5.15 -1.26 -5.03 115.26 113.84 1xm0 n ASN 110 Ca -0.08 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1xm0 n ASN 110 Cb 0.80 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 1xm0 n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xm0 n GLY 111 N 2.31 1.59 3.36 8.20 0.00 -1.25 -4.94 105.19 114.47 1xm0 n GLY 111 Ca -0.43 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1xm0 n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xm0 s LEU 112 N 0.00 3.08 -0.25 0.99 2.96 -0.91 -0.84 118.68 123.70 1xm0 s LEU 112 Ca 0.00 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1xm0 s LEU 112 Cb 0.00 -1.80 0.06 0.00 0.50 0.00 0.00 46.19 44.96 1xm0 s LEU 112 CO 0.00 -0.01 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.35 1xm0 s ARG 113 N 1.44 1.85 -0.22 1.98 3.52 -1.04 -0.15 118.95 126.32 1xm0 s ARG 113 Ca 0.05 -1.20 -0.01 0.00 -0.13 0.00 0.00 55.73 54.44 1xm0 s ARG 113 Cb -0.14 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.52 1xm0 s ARG 113 CO -0.01 -0.62 -0.10 0.71 -0.81 0.00 0.00 175.30 174.48 1xm0 s TYR 114 N 1.25 2.97 -0.39 5.12 1.51 -0.22 0.91 117.35 128.50 1xm0 s TYR 114 Ca -0.06 -1.46 -0.20 0.00 -1.01 0.00 0.00 57.07 54.34 1xm0 s TYR 114 Cb -0.19 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1xm0 s TYR 114 CO -0.06 -0.71 0.60 0.00 -1.11 0.00 0.00 175.55 174.26 1xm0 s ILE 116 N 2.64 3.34 -0.05 0.00 1.09 -1.26 -2.25 121.20 124.71 1xm0 s ILE 116 Ca 0.21 -1.59 -0.12 0.00 -1.10 0.00 0.00 60.65 58.06 1xm0 s ILE 116 Cb -0.15 -2.66 -0.05 0.00 -1.06 0.00 0.00 42.46 38.54 1xm0 s ILE 116 CO 0.16 -0.11 0.30 0.20 -0.10 0.00 0.00 174.94 175.39 1xm0 s ASN 117 N -2.86 6.64 0.17 3.58 0.01 -1.26 -4.64 114.94 116.58 1xm0 s ASN 117 Ca 0.26 0.76 -0.12 0.00 -0.71 0.00 0.00 52.86 53.05 1xm0 s ASN 117 Cb -0.09 -2.18 0.08 0.00 0.41 0.00 0.00 41.25 39.47 1xm0 s ASN 117 CO 0.16 0.36 1.72 0.77 -1.51 0.00 0.00 177.10 178.60 1xm0 h SER 118 N 4.82 0.85 0.08 -1.22 4.64 0.12 -0.49 113.55 122.36 1xm0 h SER 118 Ca -0.53 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1xm0 h SER 118 Cb 1.22 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1xm0 h SER 118 CO 0.60 0.81 0.00 0.00 -0.87 0.00 0.00 176.83 177.37 1xm0 n ALA 119 N -2.38 2.21 0.25 5.18 0.00 -1.26 -2.21 120.51 122.29 1xm0 n ALA 119 Ca 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1xm0 n ALA 119 Cb 0.18 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 1xm0 n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm0 n ALA 120 N -1.06 2.71 -2.81 0.00 0.00 -0.61 -5.01 120.51 113.72 1xm0 n ALA 120 Ca 0.14 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1xm0 n ALA 120 Cb 0.09 -0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 1xm0 n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xm0 s LEU 121 N -2.40 2.07 -0.15 0.00 2.01 -0.29 -2.45 118.68 117.47 1xm0 s LEU 121 Ca 0.02 -0.20 -0.04 0.00 0.01 0.00 0.00 54.13 53.92 1xm0 s LEU 121 Cb 0.04 -0.19 -0.03 0.00 0.01 0.00 0.00 46.19 46.03 1xm0 s LEU 121 CO 0.24 -0.02 -0.04 -0.13 1.01 0.00 0.00 176.35 177.41 1xm0 s ARG 122 N -0.50 3.66 0.03 1.70 3.00 -0.78 -4.65 118.95 121.42 1xm0 s ARG 122 Ca -0.02 -0.52 -0.17 0.00 0.00 0.00 0.00 55.73 55.03 1xm0 s ARG 122 Cb -0.04 -2.91 -0.06 0.00 0.00 0.00 0.00 34.95 31.94 1xm0 s ARG 122 CO -0.00 0.25 0.47 0.12 0.00 0.00 0.00 175.30 176.15 1xm0 s PHE 123 N 0.33 3.76 -0.02 -0.53 5.36 -1.25 0.34 117.98 125.96 1xm0 s PHE 123 Ca -0.04 1.11 0.01 0.00 -0.96 0.00 0.00 56.93 57.05 1xm0 s PHE 123 Cb -0.14 -2.37 0.01 0.00 -0.34 0.00 0.00 43.02 40.18 1xm0 s PHE 123 CO 0.03 0.62 -0.03 0.54 -1.46 0.00 0.00 175.22 174.91 1xm0 s VAL 124 N -1.10 0.37 0.42 3.12 0.11 0.25 -4.96 120.40 118.61 1xm0 s VAL 124 Ca 0.26 -0.11 -0.24 0.00 -2.93 0.00 0.00 61.98 58.96 1xm0 s VAL 124 Cb -0.18 -0.37 -0.08 0.00 -1.53 0.00 0.00 36.38 34.22 1xm0 s VAL 124 CO 0.16 0.15 1.15 -2.16 -3.33 0.00 0.00 175.10 171.06 1xm0 s PRO 125 N 0.45 3.97 0.61 1.54 0.04 -1.26 0.89 135.00 141.23 1xm0 s PRO 125 Ca -0.05 1.76 0.32 0.00 0.04 0.00 0.00 61.00 63.07 1xm0 s PRO 125 Cb -0.08 -2.56 1.87 0.00 0.04 0.00 0.00 34.50 33.77 1xm0 s PRO 125 CO -0.00 -0.37 2.22 -0.22 0.04 0.00 0.00 177.00 178.66 1xm0 h LYS 126 N 2.40 0.00 0.00 4.56 3.64 0.36 1.53 116.57 129.05 1xm0 h LYS 126 Ca -0.49 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.73 1xm0 h LYS 126 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1xm0 h LYS 126 CO 0.62 0.00 -1.45 0.72 -2.27 0.00 0.00 179.45 177.07 1xm0 n HIS 127 N -3.68 0.93 0.58 1.91 8.25 -1.26 -4.06 115.22 117.90 1xm0 n HIS 127 Ca -0.02 0.31 0.08 0.00 -0.26 0.00 0.00 57.72 57.83 1xm0 n HIS 127 Cb 0.16 -1.07 -0.11 0.00 1.12 0.00 0.00 29.99 30.10 1xm0 n HIS 127 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xm0 n LYS 128 N -2.86 1.20 0.23 -0.41 4.81 -0.92 -4.32 118.16 115.89 1xm0 n LYS 128 Ca -0.10 -0.04 0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1xm0 n LYS 128 Cb 0.83 -1.33 0.56 0.00 0.02 0.00 0.00 35.03 35.12 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 1xm0 h LEU 129 N 0.00 0.00 -0.80 3.14 8.10 0.20 -0.19 115.31 125.76 1xm0 h LEU 129 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 57.88 58.06 1xm0 h LEU 129 Cb 0.50 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.66 1xm0 h LEU 129 CO 0.00 0.17 0.48 0.50 -4.11 0.00 0.00 178.44 175.48 1xm0 h LYS 130 N 0.00 0.82 0.00 0.17 3.64 -1.77 0.50 116.57 119.93 1xm0 h LYS 130 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xm0 h LYS 130 Cb 0.33 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1xm0 h LYS 130 CO 0.02 0.54 0.00 0.39 -2.27 0.00 0.00 179.45 178.13 1xm0 n GLU 131 N -4.70 0.08 -0.00 1.90 4.71 -0.10 -1.59 120.64 120.93 1xm0 n GLU 131 Ca 0.12 0.24 0.06 0.00 -0.01 0.00 0.00 57.16 57.57 1xm0 n GLU 131 Cb 0.21 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.06 1xm0 n GLU 131 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xm0 n GLU 132 N -1.40 2.08 0.00 3.49 -0.58 0.15 -5.00 120.64 119.38 1xm0 n GLU 132 Ca 0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xm0 n GLU 132 Cb 0.12 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xm0 n GLY 133 N 1.45 1.05 1.20 0.62 0.00 0.12 -4.89 105.19 104.75 1xm0 n GLY 133 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1xm0 n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xm0 n TYR 134 N -0.03 0.36 -0.26 1.61 4.02 -0.74 -4.82 117.16 117.30 1xm0 n TYR 134 Ca 0.00 -1.27 0.09 0.00 -0.01 0.00 0.00 57.90 56.70 1xm0 n TYR 134 Cb 0.00 -0.22 0.34 0.00 -0.02 0.00 0.00 39.34 39.43 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1xm0 h GLU 135 N 1.23 0.77 -0.02 -0.72 4.11 -1.78 0.13 114.58 118.29 1xm0 h GLU 135 Ca -0.05 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.21 1xm0 h GLU 135 Cb 1.38 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1xm0 h GLU 135 CO 0.12 0.51 -0.57 1.03 0.07 0.00 0.00 179.01 180.17 1xm0 h SER 136 N 0.79 0.07 -0.04 3.06 0.87 -1.98 -2.98 113.55 113.35 1xm0 h SER 136 Ca 0.40 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1xm0 h SER 136 Cb 0.48 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1xm0 h SER 136 CO -0.17 0.63 -0.01 1.88 -0.53 0.00 0.00 176.83 178.63 1xm0 h TYR 137 N 0.05 0.13 -0.18 2.24 0.05 -1.11 -1.04 116.97 117.11 1xm0 h TYR 137 Ca -0.00 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.82 1xm0 h TYR 137 Cb 1.02 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.71 1xm0 h TYR 137 CO 0.01 0.15 0.28 -0.07 -1.05 0.00 0.00 178.16 177.47 1xm0 h LEU 138 N 0.13 0.00 -0.42 3.88 -0.00 -1.35 -0.29 115.31 117.27 1xm0 h LEU 138 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.74 1xm0 h LEU 138 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1xm0 h LEU 138 CO 0.00 0.00 -0.57 -0.74 -0.00 0.00 0.00 178.44 177.13 1xm0 h HIS 139 N 0.00 0.84 -1.01 1.13 2.76 -1.37 -3.18 115.15 114.32 1xm0 h HIS 139 Ca 0.08 -0.31 0.26 0.00 -2.20 0.00 0.00 60.37 58.21 1xm0 h HIS 139 Cb 0.64 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.37 1xm0 h HIS 139 CO 0.00 1.08 0.67 1.25 -1.30 0.00 0.00 177.93 179.63 1xm0 h LEU 140 N 0.51 0.37 -7.47 0.26 6.46 -1.17 -3.24 115.31 111.02 1xm0 h LEU 140 Ca 0.00 0.06 -0.65 0.00 -0.12 0.00 0.00 57.88 57.17 1xm0 h LEU 140 Cb 1.14 -0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 40.67 1xm0 h LEU 140 CO 0.11 0.09 -0.62 0.12 -0.62 0.00 0.00 178.44 177.52 1xm0 s PHE 141 N -5.40 3.34 0.00 1.25 5.36 -1.20 -4.78 117.98 116.55 1xm0 s PHE 141 Ca -0.08 -3.08 0.00 0.00 -0.96 0.00 0.00 56.93 52.81 1xm0 s PHE 141 Cb 0.24 -2.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.04 1xm0 s PHE 141 CO 0.79 -0.80 0.00 0.09 -1.46 0.00 0.00 175.22 173.84 1xm0 n ASN 142 N 3.42 0.00 -0.11 6.13 3.02 -1.22 -4.93 115.26 121.58 1xm0 n ASN 142 Ca 0.05 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.73 1xm0 n ASN 142 Cb 0.35 0.10 0.74 0.00 -0.61 0.00 0.00 39.78 40.36 1xm0 n ASN 142 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xm0 n LYS 143 N -1.47 1.15 -0.34 3.52 4.76 -1.26 -4.27 118.16 120.25 1xm0 n LYS 143 Ca 0.00 -0.21 0.29 0.00 -2.87 0.00 0.00 58.31 55.52 1xm0 n LYS 143 Cb 0.00 -1.43 0.50 0.00 -1.84 0.00 0.00 35.03 32.26 1xm0 n LYS 143 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1xm0 n LEU 144 N -0.68 0.18 0.00 -0.35 7.94 -1.26 -4.54 117.00 118.29 1xm0 n LEU 144 Ca 0.20 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1xm0 n LEU 144 Cb 0.15 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1xm0 n LEU 144 CO 0.15 -1.21 0.00 1.21 -1.11 0.00 0.00 177.39 176.43 1xm0 n GLU 145 N -4.33 0.00 -2.28 1.96 2.13 -1.26 -4.82 120.64 112.03 1xm0 n GLU 145 Ca 0.30 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.09 1xm0 n GLU 145 Cb 1.15 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.84 1xm0 n GLU 145 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1xm0 n HIS 146 N 0.00 -3.09 1.87 4.31 -0.00 -1.26 -5.20 115.22 111.85 1xm0 n HIS 146 Ca 0.00 1.71 0.15 0.00 0.46 0.00 0.00 57.72 60.05 1xm0 n HIS 146 Cb 0.00 -3.22 0.84 0.00 -0.12 0.00 0.00 29.99 27.49 1xm0 n HIS 146 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38