#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm0 s ALA 2 N 0.00 2.69 -0.24 3.04 0.00 -1.26 -4.86 121.76 121.13 1xm0 s ALA 2 Ca 0.00 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 1xm0 s ALA 2 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1xm0 s ALA 2 CO 0.00 -1.27 -0.05 0.71 0.00 0.00 0.00 175.76 175.15 1xm0 s TYR 3 N -1.42 3.04 -0.27 0.00 2.02 -1.26 -4.17 117.35 115.30 1xm0 s TYR 3 Ca 0.74 -1.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1xm0 s TYR 3 Cb -0.36 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.17 1xm0 s TYR 3 CO 0.41 -0.69 -0.08 -0.80 -1.57 0.00 0.00 175.55 172.82 1xm0 s ASN 4 N 1.37 4.52 0.12 2.29 -0.87 -1.26 -4.99 114.94 116.11 1xm0 s ASN 4 Ca 0.02 -1.30 -0.08 0.00 -1.57 0.00 0.00 52.86 49.93 1xm0 s ASN 4 Cb -0.16 -1.60 -0.10 0.00 -0.02 0.00 0.00 41.25 39.36 1xm0 s ASN 4 CO -0.04 -0.20 1.31 0.07 -2.57 0.00 0.00 177.10 175.67 1xm0 h LYS 5 N 7.86 0.59 -0.18 -0.60 2.10 -1.98 -2.12 116.57 122.25 1xm0 h LYS 5 Ca -0.22 -0.55 -0.11 0.00 -2.00 0.00 0.00 60.65 57.77 1xm0 h LYS 5 Cb 1.05 0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1xm0 h LYS 5 CO 0.50 1.17 -0.38 1.49 -2.00 0.00 0.00 179.45 180.23 1xm0 h GLU 6 N 0.37 0.38 -0.82 0.07 4.81 -1.95 -2.38 114.58 115.07 1xm0 h GLU 6 Ca -0.07 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1xm0 h GLU 6 Cb 1.48 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.82 1xm0 h GLU 6 CO 0.16 0.71 0.54 0.93 -0.73 0.00 0.00 179.01 180.62 1xm0 h GLU 7 N 0.32 1.05 -0.95 1.92 5.08 -1.82 -1.02 114.58 119.17 1xm0 h GLU 7 Ca 0.03 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1xm0 h GLU 7 Cb 0.81 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1xm0 h GLU 7 CO 0.07 0.70 0.62 -0.22 -1.00 0.00 0.00 179.01 179.17 1xm0 h LYS 8 N 1.08 1.07 0.00 2.33 3.64 -0.88 1.34 116.57 125.15 1xm0 h LYS 8 Ca 0.31 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1xm0 h LYS 8 Cb -0.09 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.49 1xm0 h LYS 8 CO -0.08 0.71 0.00 0.82 -2.27 0.00 0.00 179.45 178.63 1xm0 h ILE 9 N 1.11 0.00 -0.23 2.00 1.08 -0.89 -1.67 117.51 118.90 1xm0 h ILE 9 Ca 0.40 -0.32 -0.19 0.00 -0.39 0.00 0.00 64.86 64.36 1xm0 h ILE 9 Cb 0.16 1.14 -0.20 0.00 -3.07 0.00 0.00 36.82 34.85 1xm0 h ILE 9 CO -0.15 0.00 -0.72 0.29 -0.69 0.00 0.00 178.15 176.88 1xm0 n LYS 10 N -2.34 1.87 0.00 2.37 4.76 0.13 -4.46 118.16 120.49 1xm0 n LYS 10 Ca 0.03 -3.34 0.00 0.00 -2.87 0.00 0.00 58.31 52.13 1xm0 n LYS 10 Cb 0.28 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1xm0 n LYS 10 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1xm0 n SER 11 N -0.72 0.00 0.00 4.39 3.41 0.41 -4.93 113.62 116.19 1xm0 n SER 11 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1xm0 n SER 11 Cb 0.84 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1xm0 n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xm0 n LEU 12 N 0.00 0.00 -4.79 1.04 -0.00 -0.91 -4.79 117.00 107.55 1xm0 n LEU 12 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.63 1xm0 n LEU 12 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1xm0 n LEU 12 CO 0.00 0.00 0.50 0.54 -0.00 0.00 0.00 177.39 178.43 1xm0 s ASN 13 N -1.19 7.27 0.52 1.45 2.20 -1.26 -2.54 114.94 121.40 1xm0 s ASN 13 Ca 0.00 1.62 0.24 0.00 -0.94 0.00 0.00 52.86 53.77 1xm0 s ASN 13 Cb 0.00 -2.49 1.36 0.00 -2.00 0.00 0.00 41.25 38.12 1xm0 s ASN 13 CO 0.00 0.09 2.01 -0.09 -2.94 0.00 0.00 177.10 176.17 1xm0 h ARG 14 N 3.75 0.03 -0.11 3.55 2.43 -1.86 0.83 114.38 122.99 1xm0 h ARG 14 Ca -0.47 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.53 1xm0 h ARG 14 Cb 1.20 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1xm0 h ARG 14 CO 0.66 0.02 -0.64 1.98 -1.51 0.00 0.00 179.97 180.48 1xm0 h MET 15 N 0.03 0.40 -0.88 0.20 4.05 -1.89 -3.16 114.93 113.68 1xm0 h MET 15 Ca 0.23 -0.29 0.13 0.00 -0.28 0.00 0.00 59.70 59.49 1xm0 h MET 15 Cb 0.88 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.66 1xm0 h MET 15 CO -0.01 0.91 0.57 0.37 0.23 0.00 0.00 176.91 178.98 1xm0 h GLN 16 N 0.29 0.72 -0.81 0.39 4.15 0.31 0.44 115.11 120.62 1xm0 h GLN 16 Ca -0.01 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.46 1xm0 h GLN 16 Cb 1.18 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.63 1xm0 h GLN 16 CO 0.11 0.48 0.45 -0.92 -1.93 0.00 0.00 178.83 177.02 1xm0 h TYR 17 N 0.75 0.81 -0.31 3.99 3.20 -1.43 -1.92 116.97 122.05 1xm0 h TYR 17 Ca 0.43 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.17 1xm0 h TYR 17 Cb 0.61 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1xm0 h TYR 17 CO -0.00 0.31 -0.45 1.49 -1.64 0.00 0.00 178.16 177.87 1xm0 h GLU 18 N 0.74 0.81 -0.51 1.82 4.57 -1.09 -2.40 114.58 118.52 1xm0 h GLU 18 Ca 0.40 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1xm0 h GLU 18 Cb 0.40 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1xm0 h GLU 18 CO -0.26 1.09 0.26 -0.24 -1.18 0.00 0.00 179.01 178.67 1xm0 h VAL 19 N 0.65 1.16 -0.35 0.32 3.04 -0.63 1.56 116.25 122.00 1xm0 h VAL 19 Ca 0.04 -0.44 -0.13 0.00 -1.01 0.00 0.00 66.70 65.16 1xm0 h VAL 19 Cb 1.03 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1xm0 h VAL 19 CO 0.10 0.19 -0.30 0.74 -1.01 0.00 0.00 177.57 177.29 1xm0 h THR 20 N 0.71 1.28 -0.55 3.17 2.02 -1.30 0.28 112.91 118.52 1xm0 h THR 20 Ca 0.18 -1.44 -0.20 0.00 0.77 0.00 0.00 66.41 65.72 1xm0 h THR 20 Cb 0.05 1.32 -0.12 0.00 -1.74 0.00 0.00 68.15 67.66 1xm0 h THR 20 CO -0.03 0.47 0.16 0.00 0.37 0.00 0.00 175.52 176.49 1xm0 n GLN 21 N -4.08 2.70 0.14 6.66 3.00 0.22 -4.47 117.38 121.54 1xm0 n GLN 21 Ca -0.01 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.93 1xm0 n GLN 21 Cb 0.47 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.72 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 -0.71 -2.30 0.02 1.08 2.85 0.51 -4.94 115.26 111.76 1xm0 n ASN 22 Ca 0.37 0.53 -0.12 0.00 -0.11 0.00 0.00 54.58 55.26 1xm0 n ASN 22 Cb 1.21 2.31 -0.07 0.00 1.24 0.00 0.00 39.78 44.48 1xm0 n ASN 22 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1xm0 h ASN 23 N 0.00 0.04 0.00 1.20 -0.73 -1.43 -3.47 115.58 111.20 1xm0 h ASN 23 Ca 0.00 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1xm0 h ASN 23 Cb 0.00 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.58 1xm0 h ASN 23 CO 0.00 0.10 0.00 0.61 -0.37 0.00 0.00 177.43 177.77 1xm0 n GLY 24 N -0.92 2.13 3.14 1.57 0.00 0.95 -4.94 105.19 107.11 1xm0 n GLY 24 Ca -0.07 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1xm0 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xm0 s THR 25 N -0.34 1.70 -0.52 2.61 2.01 -1.26 -4.94 115.64 114.90 1xm0 s THR 25 Ca 0.00 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 60.99 1xm0 s THR 25 Cb 0.00 -1.49 0.06 0.00 0.01 0.00 0.00 72.50 71.08 1xm0 s THR 25 CO 0.00 0.48 0.67 -0.70 -0.69 0.00 0.00 174.62 174.38 1xm0 s GLU 26 N 0.45 3.14 0.84 4.92 2.12 -1.26 -5.06 118.70 123.85 1xm0 s GLU 26 Ca -0.17 -0.86 -0.11 0.00 0.36 0.00 0.00 54.97 54.18 1xm0 s GLU 26 Cb -0.17 -4.11 0.10 0.00 0.26 0.00 0.00 34.13 30.21 1xm0 s GLU 26 CO 0.07 -1.28 1.09 -1.25 -0.54 0.00 0.00 175.26 173.35 1xm0 s PRO 27 N 2.78 1.71 0.00 4.30 0.04 -1.26 -5.07 135.00 137.51 1xm0 s PRO 27 Ca 0.16 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1xm0 s PRO 27 Cb -0.19 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1xm0 s PRO 27 CO 0.12 -1.94 0.00 -0.35 0.04 0.00 0.00 177.00 174.87 1xm0 n PRO 28 N -3.69 -0.01 -3.41 0.56 -0.04 -1.26 -5.04 135.00 122.11 1xm0 n PRO 28 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1xm0 n PRO 28 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 1xm0 n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xm0 n PHE 29 N -1.53 -0.97 1.27 0.54 3.72 -1.26 -5.02 117.46 114.21 1xm0 n PHE 29 Ca 0.00 -1.81 0.11 0.00 -0.05 0.00 0.00 57.45 55.71 1xm0 n PHE 29 Cb 0.00 0.34 0.63 0.00 -0.94 0.00 0.00 39.48 39.50 1xm0 n PHE 29 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xm0 n GLN 30 N -0.43 0.54 -2.70 -1.08 3.00 -1.26 -4.16 117.38 111.29 1xm0 n GLN 30 Ca 0.02 0.03 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1xm0 n GLN 30 Cb 0.43 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.20 1xm0 n GLN 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1xm0 n ASN 31 N -1.12 -2.12 -0.06 1.08 0.23 -1.26 -5.02 115.26 106.98 1xm0 n ASN 31 Ca 0.14 -1.85 0.01 0.00 -0.53 0.00 0.00 54.58 52.35 1xm0 n ASN 31 Cb 0.12 1.12 0.32 0.00 -2.08 0.00 0.00 39.78 39.26 1xm0 n ASN 31 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xm0 h GLU 32 N 4.22 0.67 0.00 -3.83 5.08 -1.91 -2.03 114.58 116.78 1xm0 h GLU 32 Ca -0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xm0 h GLU 32 Cb 1.14 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1xm0 h GLU 32 CO -0.05 0.52 -0.40 0.10 -1.00 0.00 0.00 179.01 178.18 1xm0 h TYR 33 N 0.67 0.00 -3.43 4.33 -0.00 -1.91 1.56 116.97 118.19 1xm0 h TYR 33 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.90 1xm0 h TYR 33 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.80 1xm0 h TYR 33 CO 0.01 0.00 0.00 1.87 -0.00 0.00 0.00 178.16 180.04 1xm0 n TRP 34 N -2.43 0.00 -0.07 0.10 -0.00 -0.76 -4.62 117.44 109.65 1xm0 n TRP 34 Ca 0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.32 1xm0 n TRP 34 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 31.31 31.66 1xm0 n TRP 34 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1xm0 n ASP 35 N 0.56 2.02 0.00 5.87 -0.08 -1.26 -4.93 116.55 118.72 1xm0 n ASP 35 Ca 0.00 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1xm0 n ASP 35 Cb 0.00 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 42.69 1xm0 n ASP 35 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1xm0 n HIS 36 N -3.71 0.00 0.00 -0.67 -0.00 -1.26 -4.71 115.22 104.86 1xm0 n HIS 36 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.34 1xm0 n HIS 36 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.93 1xm0 n HIS 36 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1xm0 n LYS 37 N 0.00 0.00 0.00 1.57 5.02 -1.26 -5.19 118.16 118.30 1xm0 n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xm0 n LYS 37 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xm0 n LYS 37 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xm0 n GLU 38 N 0.00 0.00 -3.72 1.97 -0.58 -1.26 -5.14 120.64 111.91 1xm0 n GLU 38 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 1xm0 n GLU 38 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1xm0 n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1xm0 s GLU 39 N -0.31 3.59 0.00 3.49 2.02 -1.26 -4.29 118.70 121.94 1xm0 s GLU 39 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1xm0 s GLU 39 Cb 0.00 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1xm0 s GLU 39 CO 0.00 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.22 1xm0 n GLY 40 N 0.32 0.50 3.21 -1.39 0.00 -1.26 0.02 105.19 106.60 1xm0 n GLY 40 Ca -0.04 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1xm0 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xm0 s LEU 41 N 0.00 1.57 0.13 0.99 0.20 -0.69 0.45 118.68 121.34 1xm0 s LEU 41 Ca 0.00 -1.00 -0.19 0.00 0.69 0.00 0.00 54.13 53.63 1xm0 s LEU 41 Cb 0.00 0.66 -0.07 0.00 -0.43 0.00 0.00 46.19 46.35 1xm0 s LEU 41 CO 0.00 -0.76 0.62 -0.47 -0.29 0.00 0.00 176.35 175.45 1xm0 s TYR 42 N -3.98 3.74 -0.20 5.38 5.04 0.87 -1.13 117.35 127.06 1xm0 s TYR 42 Ca 0.17 1.29 -0.07 0.00 -2.44 0.00 0.00 57.07 56.02 1xm0 s TYR 42 Cb 0.06 -2.52 -0.03 0.00 0.35 0.00 0.00 41.96 39.81 1xm0 s TYR 42 CO -0.02 0.49 0.05 0.14 -1.34 0.00 0.00 175.55 174.86 1xm0 s VAL 43 N -1.29 4.44 -0.26 3.14 -7.23 1.04 0.05 120.40 120.29 1xm0 s VAL 43 Ca 0.35 -0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.08 1xm0 s VAL 43 Cb -0.18 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 1xm0 s VAL 43 CO 0.20 0.42 1.55 -0.62 -0.31 0.00 0.00 175.10 176.34 1xm0 s ASP 44 N 0.83 6.39 0.00 4.85 2.15 0.48 -1.88 116.67 129.49 1xm0 s ASP 44 Ca 0.03 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.44 1xm0 s ASP 44 Cb -0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1xm0 s ASP 44 CO 0.02 -1.28 0.00 -0.38 -0.17 0.00 0.00 175.17 173.36 1xm0 n ILE 45 N 6.53 0.00 -1.56 4.11 5.41 -1.10 -4.36 119.36 128.38 1xm0 n ILE 45 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1xm0 n ILE 45 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 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 -0.30 0.00 0.00 1.39 0.31 -1.26 -4.62 118.33 113.85 1xm0 n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xm0 n VAL 46 Cb 0.00 0.63 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1xm0 n VAL 46 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xm0 n SER 47 N 0.00 0.00 -0.86 4.52 3.41 -1.26 -2.56 113.62 116.86 1xm0 n SER 47 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1xm0 n SER 47 Cb 0.58 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.61 1xm0 n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xm0 n GLY 48 N 0.00 0.80 3.17 5.00 0.00 -1.26 -4.74 105.19 108.16 1xm0 n GLY 48 Ca 0.00 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1xm0 n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xm0 s LYS 49 N -2.10 2.98 0.00 1.61 2.20 -1.06 -4.50 119.74 118.87 1xm0 s LYS 49 Ca 0.26 -2.59 0.00 0.00 -0.36 0.00 0.00 55.97 53.28 1xm0 s LYS 49 Cb 0.20 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1xm0 s LYS 49 CO 0.36 -1.22 0.00 -0.35 -0.36 0.00 0.00 175.35 173.78 1xm0 n PRO 50 N 3.51 2.33 0.00 4.03 -0.04 -1.26 0.18 135.00 143.76 1xm0 n PRO 50 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1xm0 n PRO 50 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -4.31 1.53 -0.00 0.11 -2.74 117.00 111.59 1xm0 n LEU 51 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 1xm0 n LEU 51 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1xm0 n LEU 51 CO 0.00 0.00 -0.43 -0.36 -0.00 0.00 0.00 177.39 176.60 1xm0 s PHE 52 N 0.00 1.53 -0.12 1.96 0.08 -1.08 -4.84 117.98 115.51 1xm0 s PHE 52 Ca 0.00 -0.65 -0.17 0.00 0.12 0.00 0.00 56.93 56.22 1xm0 s PHE 52 Cb 0.00 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1xm0 s PHE 52 CO 0.00 0.24 0.45 0.95 -0.10 0.00 0.00 175.22 176.76 1xm0 s THR 53 N -3.12 5.19 0.45 0.64 -4.23 -1.26 0.30 115.64 113.61 1xm0 s THR 53 Ca 0.20 0.89 0.32 0.00 -1.18 0.00 0.00 61.69 61.92 1xm0 s THR 53 Cb 0.01 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.38 1xm0 s THR 53 CO 0.04 0.35 1.96 -1.28 -0.54 0.00 0.00 174.62 175.16 1xm0 h SER 54 N 6.59 0.00 0.00 3.99 0.87 0.93 0.69 113.55 126.63 1xm0 h SER 54 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1xm0 h SER 54 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xm0 h SER 54 CO 0.75 0.00 0.27 0.11 -0.53 0.00 0.00 176.83 177.43 1xm0 h LYS 55 N 0.00 0.00 0.00 2.24 1.79 -1.75 -3.41 116.57 115.45 1xm0 h LYS 55 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xm0 h LYS 55 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1xm0 h LYS 55 CO 0.00 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.12 1xm0 n ASP 56 N -2.20 0.00 -0.51 0.86 9.92 -0.53 -4.97 116.55 119.13 1xm0 n ASP 56 Ca -0.01 0.00 0.39 0.00 -0.53 0.00 0.00 54.79 54.64 1xm0 n ASP 56 Cb 0.30 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 41.39 1xm0 n ASP 56 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1xm0 n LYS 57 N 0.00 -0.01 -1.78 -1.24 0.00 0.12 -4.36 118.16 110.90 1xm0 n LYS 57 Ca 0.00 0.90 -0.28 0.00 -0.00 0.00 0.00 58.31 58.93 1xm0 n LYS 57 Cb 0.00 -1.97 0.19 0.00 -0.00 0.00 0.00 35.03 33.25 1xm0 n LYS 57 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1xm0 n PHE 58 N -3.75 -4.00 0.00 5.58 -1.74 -1.26 -2.53 117.46 109.76 1xm0 n PHE 58 Ca 0.34 -1.10 0.00 0.00 -0.56 0.00 0.00 57.45 56.13 1xm0 n PHE 58 Cb 1.49 -0.97 0.00 0.00 1.52 0.00 0.00 39.48 41.53 1xm0 n PHE 58 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1xm0 n ASP 59 N -3.82 0.00 -4.52 5.98 9.92 -1.25 -4.90 116.55 117.96 1xm0 n ASP 59 Ca 0.16 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.07 1xm0 n ASP 59 Cb 0.54 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.90 1xm0 n ASP 59 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xm0 n SER 60 N 0.00 0.68 -0.94 -2.24 3.41 -1.26 -4.66 113.62 108.60 1xm0 n SER 60 Ca 0.00 -0.26 0.04 0.00 -0.26 0.00 0.00 58.87 58.39 1xm0 n SER 60 Cb 0.00 -1.10 0.06 0.00 -0.26 0.00 0.00 64.21 62.91 1xm0 n SER 60 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1xm0 n GLN 61 N 8.19 0.44 -0.51 4.33 7.27 -1.26 -5.09 117.38 130.75 1xm0 n GLN 61 Ca 0.57 -2.08 0.00 0.00 0.07 0.00 0.00 57.00 55.56 1xm0 n GLN 61 Cb 0.22 -0.59 0.00 0.00 2.41 0.00 0.00 30.24 32.28 1xm0 n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xm0 h GLY 63 N 0.00 0.00 -7.54 0.00 0.00 -2.01 -3.42 103.07 90.10 1xm0 h GLY 63 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 1xm0 h GLY 63 CO 0.00 0.00 -0.57 -0.98 0.00 0.00 0.00 176.54 174.99 1xm0 s TRP 64 N -2.85 3.47 -0.16 5.60 0.52 -1.26 -5.08 118.94 119.18 1xm0 s TRP 64 Ca 0.01 -2.12 -0.29 0.00 0.02 0.00 0.00 56.10 53.71 1xm0 s TRP 64 Cb 0.08 -2.92 -0.01 0.00 -1.15 0.00 0.00 33.47 29.48 1xm0 s TRP 64 CO 0.79 -0.91 1.16 -1.25 0.02 0.00 0.00 176.95 176.76 1xm0 s PRO 65 N 1.22 4.28 0.18 4.98 0.04 -1.26 -4.92 135.00 139.52 1xm0 s PRO 65 Ca 0.04 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.65 1xm0 s PRO 65 Cb -0.22 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1xm0 s PRO 65 CO -0.02 -0.60 -0.02 -1.12 0.04 0.00 0.00 177.00 175.27 1xm0 s SER 66 N 1.57 1.54 -0.16 6.66 0.01 -1.26 -4.68 113.70 117.37 1xm0 s SER 66 Ca 0.51 -1.15 -0.03 0.00 1.31 0.00 0.00 55.95 56.59 1xm0 s SER 66 Cb -0.20 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 1xm0 s SER 66 CO 0.13 -0.50 -0.05 -0.36 0.41 0.00 0.00 173.24 172.88 1xm0 s PHE 67 N -3.51 2.99 0.00 2.43 0.40 0.34 -3.81 117.98 116.81 1xm0 s PHE 67 Ca 0.23 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1xm0 s PHE 67 Cb 0.05 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.63 1xm0 s PHE 67 CO 0.04 -0.10 0.00 0.25 0.70 0.00 0.00 175.22 176.12 1xm0 n THR 68 N 3.62 0.00 0.00 0.64 -2.24 -1.05 -1.86 114.28 113.39 1xm0 n THR 68 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1xm0 n THR 68 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1xm0 n THR 68 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xm0 n LYS 69 N 0.00 0.00 0.00 -0.78 5.02 0.40 -4.02 118.16 118.78 1xm0 n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xm0 n LYS 69 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xm0 n LYS 69 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xm0 n PRO 70 N 0.00 0.00 0.00 1.97 -0.04 -1.26 -2.62 135.00 133.04 1xm0 n PRO 70 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xm0 n PRO 70 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1xm0 n PRO 70 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xm0 n ILE 71 N 0.00 0.00 0.00 0.52 5.41 -1.26 -4.59 119.36 119.44 1xm0 n ILE 71 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1xm0 n ILE 71 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1xm0 n ILE 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xm0 n GLU 72 N 0.00 0.00 0.00 0.38 2.13 -1.26 -4.80 120.64 117.09 1xm0 n GLU 72 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xm0 n GLU 72 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xm0 n GLU 72 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1xm0 n GLU 73 N 0.00 0.00 -0.60 5.31 0.28 -1.26 -5.01 120.64 119.36 1xm0 n GLU 73 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 1xm0 n GLU 73 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 1xm0 n GLU 73 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1xm0 n GLU 74 N 0.00 1.20 -3.82 3.44 4.71 -1.26 -4.77 120.64 120.14 1xm0 n GLU 74 Ca 0.00 -0.45 -0.15 0.00 -0.01 0.00 0.00 57.16 56.55 1xm0 n GLU 74 Cb 0.00 -1.57 -0.16 0.00 -1.01 0.00 0.00 31.44 28.70 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1xm0 s VAL 75 N 1.10 0.00 0.18 2.62 1.01 -1.25 -1.68 120.40 122.38 1xm0 s VAL 75 Ca 0.30 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1xm0 s VAL 75 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.37 1xm0 s VAL 75 CO 0.00 0.09 0.26 -1.61 0.00 0.00 0.00 175.10 173.84 1xm0 s GLU 76 N 0.95 3.26 0.05 2.72 2.02 0.42 -4.86 118.70 123.25 1xm0 s GLU 76 Ca -0.08 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.09 1xm0 s GLU 76 Cb -0.12 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 1xm0 s GLU 76 CO -0.02 0.48 0.31 -1.83 0.02 0.00 0.00 175.26 174.22 1xm0 s GLU 77 N -3.43 3.62 0.09 1.61 4.04 -1.25 -1.39 118.70 121.99 1xm0 s GLU 77 Ca 0.33 -0.03 0.06 0.00 0.04 0.00 0.00 54.97 55.37 1xm0 s GLU 77 Cb -0.10 -3.03 -0.03 0.00 0.02 0.00 0.00 34.13 30.99 1xm0 s GLU 77 CO 0.27 0.60 -0.15 0.15 -1.84 0.00 0.00 175.26 174.29 1xm0 s LYS 78 N -1.95 0.91 -0.05 -4.83 1.02 0.68 -4.84 119.74 110.67 1xm0 s LYS 78 Ca 0.31 -1.06 -0.16 0.00 0.02 0.00 0.00 55.97 55.08 1xm0 s LYS 78 Cb -0.13 -0.90 -0.05 0.00 -0.52 0.00 0.00 37.83 36.23 1xm0 s LYS 78 CO 0.18 0.19 0.43 -1.17 -0.92 0.00 0.00 175.35 174.06 1xm0 s LEU 79 N -1.97 4.40 -0.18 3.17 0.20 -1.26 -1.87 118.68 121.17 1xm0 s LEU 79 Ca 0.02 0.89 0.01 0.00 0.69 0.00 0.00 54.13 55.74 1xm0 s LEU 79 Cb -0.08 -2.62 0.03 0.00 -0.43 0.00 0.00 46.19 43.09 1xm0 s LEU 79 CO 0.03 0.20 -0.13 1.51 -0.29 0.00 0.00 176.35 177.67 1xm0 s ASP 80 N -0.41 3.15 -0.06 3.68 -4.77 -1.26 -4.96 116.67 112.04 1xm0 s ASP 80 Ca 0.24 -0.74 0.03 0.00 -3.30 0.00 0.00 52.55 48.78 1xm0 s ASP 80 Cb -0.16 -1.24 0.01 0.00 -1.09 0.00 0.00 42.92 40.44 1xm0 s ASP 80 CO 0.12 -0.10 -0.14 0.28 0.70 0.00 0.00 175.17 176.03 1xm0 s THR 81 N 1.41 1.23 0.00 2.11 -1.32 -1.26 -4.68 115.64 113.14 1xm0 s THR 81 Ca 0.01 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1xm0 s THR 81 Cb -0.15 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1xm0 s THR 81 CO -0.09 0.37 0.00 -1.54 -2.21 0.00 0.00 174.62 171.15 1xm0 n SER 82 N 3.69 0.00 0.00 8.08 3.41 -1.26 -5.15 113.62 122.39 1xm0 n SER 82 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1xm0 n SER 82 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1xm0 n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xm0 n HIS 83 N 0.00 0.00 0.00 7.33 1.44 -1.26 -5.04 115.22 117.69 1xm0 n HIS 83 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1xm0 n HIS 83 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1xm0 n HIS 83 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xm0 n GLY 84 N 0.97 2.06 3.03 -1.39 0.00 -1.26 -4.93 105.19 103.68 1xm0 n GLY 84 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 0.19 -0.26 1.61 -1.94 -1.26 -5.14 119.30 112.50 1xm0 s MET 85 Ca 0.00 0.38 -0.09 0.00 -1.71 0.00 0.00 55.69 54.27 1xm0 s MET 85 Cb 0.00 -0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.76 1xm0 s MET 85 CO 0.00 -0.11 0.13 -1.50 -0.01 0.00 0.00 175.02 173.54 1xm0 s ILE 86 N 0.76 4.86 0.18 2.53 -1.16 -1.26 -4.96 121.20 122.15 1xm0 s ILE 86 Ca -0.05 0.02 -0.12 0.00 -0.51 0.00 0.00 60.65 59.98 1xm0 s ILE 86 Cb -0.07 -3.29 0.00 0.00 0.61 0.00 0.00 42.46 39.71 1xm0 s ILE 86 CO -0.04 0.30 0.39 -0.13 -2.81 0.00 0.00 174.94 172.64 1xm0 s ARG 87 N 1.61 1.27 -0.26 3.50 0.52 -1.26 -5.09 118.95 119.24 1xm0 s ARG 87 Ca 0.07 -1.08 -0.20 0.00 -0.52 0.00 0.00 55.73 54.00 1xm0 s ARG 87 Cb -0.15 0.44 -0.02 0.00 0.52 0.00 0.00 34.95 35.73 1xm0 s ARG 87 CO 0.07 -0.50 0.61 -0.08 0.02 0.00 0.00 175.30 175.42 1xm0 s THR 88 N -3.94 4.99 0.16 0.02 -1.32 -1.26 -4.01 115.64 110.28 1xm0 s THR 88 Ca 0.15 1.06 -0.27 0.00 -1.21 0.00 0.00 61.69 61.42 1xm0 s THR 88 Cb 0.01 -3.93 -0.08 0.00 -1.51 0.00 0.00 72.50 67.00 1xm0 s THR 88 CO -0.00 0.01 0.85 -1.61 -2.21 0.00 0.00 174.62 171.66 1xm0 s GLU 89 N 2.49 4.66 -0.24 7.08 2.02 -0.78 -2.34 118.70 131.59 1xm0 s GLU 89 Ca 0.25 1.28 -0.07 0.00 0.02 0.00 0.00 54.97 56.46 1xm0 s GLU 89 Cb -0.15 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 1xm0 s GLU 89 CO 0.09 0.46 0.05 0.08 0.02 0.00 0.00 175.26 175.96 1xm0 s VAL 90 N -0.80 4.22 0.15 2.63 1.01 0.52 -0.23 120.40 127.89 1xm0 s VAL 90 Ca 0.39 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1xm0 s VAL 90 Cb -0.24 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1xm0 s VAL 90 CO 0.28 0.36 -0.14 0.00 0.00 0.00 0.00 175.10 175.59 1xm0 s ARG 91 N 1.50 1.12 0.52 2.72 1.70 -0.48 0.17 118.95 126.20 1xm0 s ARG 91 Ca 0.06 -1.35 0.01 0.00 -0.47 0.00 0.00 55.73 53.98 1xm0 s ARG 91 Cb -0.15 -0.98 0.02 0.00 -0.57 0.00 0.00 34.95 33.27 1xm0 s ARG 91 CO 0.03 0.18 0.74 0.45 -1.08 0.00 0.00 175.30 175.62 1xm0 s SER 92 N -2.71 5.46 0.03 -2.89 0.15 -0.17 0.16 113.70 113.72 1xm0 s SER 92 Ca 0.13 0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.60 1xm0 s SER 92 Cb -0.03 -1.09 -0.17 0.00 -1.71 0.00 0.00 66.02 63.02 1xm0 s SER 92 CO 0.04 -1.00 1.35 -0.09 1.20 0.00 0.00 173.24 174.75 1xm0 h ARG 93 N 0.18 -0.52 -1.24 5.44 9.65 -1.71 -2.72 114.38 123.47 1xm0 h ARG 93 Ca -0.43 0.04 0.36 0.00 -1.10 0.00 0.00 59.98 58.84 1xm0 h ARG 93 Cb 1.28 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.93 1xm0 h ARG 93 CO 0.54 -0.23 0.90 1.15 2.80 0.00 0.00 179.97 185.13 1xm0 h THR 94 N -0.77 0.36 0.00 0.20 2.02 -1.96 -3.45 112.91 109.31 1xm0 h THR 94 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1xm0 h THR 94 Cb 0.53 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1xm0 h THR 94 CO 0.09 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1xm0 n ALA 95 N -2.77 0.00 0.88 6.16 0.00 -1.02 -4.96 120.51 118.79 1xm0 n ALA 95 Ca 0.27 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1xm0 n ALA 95 Cb 1.31 0.00 0.47 0.00 0.00 0.00 0.00 19.45 21.23 1xm0 n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xm0 n ASP 96 N 1.02 0.00 -0.00 0.00 9.92 -1.26 -1.00 116.55 125.23 1xm0 n ASP 96 Ca 0.00 0.02 -0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1xm0 n ASP 96 Cb 0.00 -0.28 -0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1xm0 n ASP 96 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1xm0 n SER 97 N -1.28 -0.00 -4.73 -2.24 7.64 -1.26 -3.50 113.62 108.24 1xm0 n SER 97 Ca 0.09 0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 1xm0 n SER 97 Cb 0.15 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 1xm0 n SER 97 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1xm0 s HIS 98 N -3.86 2.97 -0.02 1.43 2.46 -1.26 -4.87 115.29 112.14 1xm0 s HIS 98 Ca -0.00 0.61 0.04 0.00 0.47 0.00 0.00 55.06 56.18 1xm0 s HIS 98 Cb 0.00 -4.00 -0.06 0.00 -0.13 0.00 0.00 32.58 28.40 1xm0 s HIS 98 CO 0.00 -3.61 0.09 1.28 -2.47 0.00 0.00 174.74 170.03 1xm0 n LEU 99 N 3.52 0.02 0.00 8.88 7.99 0.44 -2.39 117.00 135.47 1xm0 n LEU 99 Ca 0.13 -0.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1xm0 n LEU 99 Cb 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1xm0 n LEU 99 CO 0.62 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.12 1xm0 n GLY 100 N 2.15 0.00 3.04 -0.72 0.00 0.23 0.24 105.19 110.12 1xm0 n GLY 100 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 1.79 -0.16 1.61 2.46 -0.97 0.19 115.29 120.22 1xm0 s HIS 101 Ca 0.00 -0.80 -0.02 0.00 0.47 0.00 0.00 55.06 54.71 1xm0 s HIS 101 Cb 0.00 -1.31 -0.02 0.00 -0.13 0.00 0.00 32.58 31.12 1xm0 s HIS 101 CO 0.00 -0.42 -0.08 0.54 -2.47 0.00 0.00 174.74 172.31 1xm0 s VAL 102 N 0.95 3.45 0.24 0.89 0.11 -0.99 0.22 120.40 125.27 1xm0 s VAL 102 Ca -0.08 -0.51 0.12 0.00 -2.93 0.00 0.00 61.98 58.58 1xm0 s VAL 102 Cb -0.15 -2.50 -0.05 0.00 -1.53 0.00 0.00 36.38 32.16 1xm0 s VAL 102 CO -0.00 0.49 -0.20 0.12 -3.33 0.00 0.00 175.10 172.18 1xm0 s PHE 103 N 0.55 2.33 -0.29 1.54 5.36 0.40 -4.71 117.98 123.17 1xm0 s PHE 103 Ca -0.05 -0.33 -0.25 0.00 -0.96 0.00 0.00 56.93 55.33 1xm0 s PHE 103 Cb -0.15 -1.07 0.00 0.00 -0.34 0.00 0.00 43.02 41.46 1xm0 s PHE 103 CO 0.03 0.62 0.88 0.54 -1.46 0.00 0.00 175.22 175.83 1xm0 s ASN 104 N -3.14 6.80 0.00 6.13 2.20 -1.26 -1.23 114.94 124.44 1xm0 s ASN 104 Ca 0.26 0.90 0.13 0.00 -0.94 0.00 0.00 52.86 53.21 1xm0 s ASN 104 Cb -0.06 -2.45 0.69 0.00 -2.00 0.00 0.00 41.25 37.42 1xm0 s ASN 104 CO 0.13 -0.65 1.46 -0.67 -2.94 0.00 0.00 177.10 174.43 1xm0 n ASP 105 N 6.30 0.35 0.00 3.54 -0.08 -1.11 -4.92 116.55 120.64 1xm0 n ASP 105 Ca 0.07 -1.66 0.00 0.00 -1.51 0.00 0.00 54.79 51.68 1xm0 n ASP 105 Cb 0.48 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1xm0 n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xm0 n GLY 106 N 0.77 2.09 3.97 0.27 0.00 -1.26 -4.59 105.19 106.44 1xm0 n GLY 106 Ca 0.10 0.45 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 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 1.16 0.00 1.61 0.04 -1.26 -4.19 135.00 132.36 1xm0 s PRO 107 Ca 0.00 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1xm0 s PRO 107 Cb 0.00 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1xm0 s PRO 107 CO 0.00 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.54 1xm0 n GLY 108 N -3.25 0.70 0.00 0.56 0.00 -1.26 -4.71 105.19 97.23 1xm0 n GLY 108 Ca 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1xm0 n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xm0 n PRO 109 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.89 135.00 130.42 1xm0 n PRO 109 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xm0 n PRO 109 Cb 0.00 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1xm0 n PRO 109 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xm0 n ASN 110 N -0.08 2.96 0.00 3.54 5.15 -1.08 -4.94 115.26 120.80 1xm0 n ASN 110 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1xm0 n ASN 110 Cb 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 2.77 1.85 3.29 8.20 0.00 -1.13 -4.88 105.19 115.28 1xm0 n GLY 111 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 2.69 -0.25 0.99 2.96 -1.08 -2.73 118.68 121.27 1xm0 s LEU 112 Ca 0.00 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1xm0 s LEU 112 Cb 0.00 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 45.10 1xm0 s LEU 112 CO 0.00 0.04 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.89 1xm0 s ARG 113 N 1.10 1.62 -0.23 1.98 0.52 -0.36 -0.45 118.95 123.13 1xm0 s ARG 113 Ca 0.01 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.13 1xm0 s ARG 113 Cb -0.14 -2.62 0.02 0.00 0.52 0.00 0.00 34.95 32.72 1xm0 s ARG 113 CO -0.02 -0.63 -0.09 0.71 0.02 0.00 0.00 175.30 175.28 1xm0 s TYR 114 N 1.35 2.99 -0.37 -0.53 2.02 -0.78 0.15 117.35 122.19 1xm0 s TYR 114 Ca -0.04 -1.50 -0.18 0.00 -0.37 0.00 0.00 57.07 54.97 1xm0 s TYR 114 Cb -0.19 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 1xm0 s TYR 114 CO -0.07 -0.72 0.51 0.00 -1.57 0.00 0.00 175.55 173.70 1xm0 s ILE 116 N 2.39 2.85 0.29 0.00 -1.09 -1.26 -2.30 121.20 122.07 1xm0 s ILE 116 Ca 0.18 -1.81 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 1xm0 s ILE 116 Cb -0.16 -2.40 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1xm0 s ILE 116 CO 0.14 -0.11 0.48 0.20 -1.23 0.00 0.00 174.94 174.42 1xm0 s ASN 117 N -2.76 6.34 0.16 3.58 0.01 -1.26 -4.74 114.94 116.26 1xm0 s ASN 117 Ca 0.23 0.41 -0.13 0.00 -0.71 0.00 0.00 52.86 52.67 1xm0 s ASN 117 Cb -0.08 -2.01 0.05 0.00 0.41 0.00 0.00 41.25 39.61 1xm0 s ASN 117 CO 0.13 -0.18 1.71 0.77 -1.51 0.00 0.00 177.10 178.02 1xm0 h SER 118 N 1.26 0.75 0.00 -1.22 4.64 0.21 0.13 113.55 119.32 1xm0 h SER 118 Ca -0.49 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1xm0 h SER 118 Cb 1.21 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1xm0 h SER 118 CO 0.64 0.72 0.00 0.00 -0.87 0.00 0.00 176.83 177.32 1xm0 n ALA 119 N -2.35 2.16 -0.58 5.18 0.00 -1.26 -0.91 120.51 122.75 1xm0 n ALA 119 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1xm0 n ALA 119 Cb 0.16 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.86 1.69 -2.73 0.00 0.00 -0.51 -5.00 120.51 113.10 1xm0 n ALA 120 Ca 0.10 -1.00 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 1xm0 n ALA 120 Cb 0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1xm0 n ALA 120 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xm0 s LEU 121 N -0.79 1.97 -0.04 0.00 0.20 -0.08 -2.71 118.68 117.22 1xm0 s LEU 121 Ca 0.03 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.31 1xm0 s LEU 121 Cb 0.03 0.45 0.02 0.00 -0.43 0.00 0.00 46.19 46.26 1xm0 s LEU 121 CO 0.00 -0.46 -0.03 -0.60 -0.29 0.00 0.00 176.35 174.97 1xm0 s ARG 122 N -2.41 0.71 -0.07 1.98 6.06 -0.79 -4.76 118.95 119.67 1xm0 s ARG 122 Ca -0.07 -0.06 -0.09 0.00 -2.50 0.00 0.00 55.73 53.01 1xm0 s ARG 122 Cb -0.03 -0.75 -0.05 0.00 0.06 0.00 0.00 34.95 34.18 1xm0 s ARG 122 CO -0.04 -0.09 0.23 -0.59 -2.50 0.00 0.00 175.30 172.31 1xm0 s PHE 123 N 0.94 3.64 -0.02 5.12 -0.71 -1.26 0.34 117.98 126.02 1xm0 s PHE 123 Ca -0.11 0.67 -0.00 0.00 -1.04 0.00 0.00 56.93 56.45 1xm0 s PHE 123 Cb -0.14 -2.05 0.03 0.00 -1.21 0.00 0.00 43.02 39.65 1xm0 s PHE 123 CO -0.00 0.70 0.03 0.54 -1.34 0.00 0.00 175.22 175.15 1xm0 s VAL 124 N -1.07 -0.05 0.36 -2.49 0.11 -0.28 -4.96 120.40 112.01 1xm0 s VAL 124 Ca 0.19 0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 59.16 1xm0 s VAL 124 Cb -0.14 -0.08 -0.12 0.00 -1.53 0.00 0.00 36.38 34.51 1xm0 s VAL 124 CO 0.08 0.08 1.31 -0.81 -3.33 0.00 0.00 175.10 172.43 1xm0 n PRO 125 N 4.06 2.15 0.30 1.54 -0.04 -1.26 -1.70 135.00 140.06 1xm0 n PRO 125 Ca -0.26 0.76 0.19 0.00 -0.04 0.00 0.00 63.50 64.14 1xm0 n PRO 125 Cb 0.51 -2.38 1.03 0.00 -0.04 0.00 0.00 33.50 32.63 1xm0 n PRO 125 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xm0 h LYS 126 N 2.51 0.00 0.00 0.54 3.64 -0.72 3.37 116.57 125.91 1xm0 h LYS 126 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xm0 h LYS 126 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1xm0 h LYS 126 CO 0.62 0.00 -0.92 1.58 -2.27 0.00 0.00 179.45 178.47 1xm0 n HIS 127 N -3.42 0.72 0.28 1.91 -0.00 -1.26 -3.91 115.22 109.55 1xm0 n HIS 127 Ca -0.02 0.21 0.04 0.00 0.46 0.00 0.00 57.72 58.41 1xm0 n HIS 127 Cb 0.14 -0.78 -0.05 0.00 -0.12 0.00 0.00 29.99 29.18 1xm0 n HIS 127 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1xm0 n LYS 128 N -2.39 3.41 0.02 1.57 3.00 -0.35 -4.56 118.16 118.86 1xm0 n LYS 128 Ca 0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1xm0 n LYS 128 Cb 0.50 -0.95 0.14 0.00 0.00 0.00 0.00 35.03 34.72 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1xm0 h LEU 129 N 0.00 0.50 -1.76 3.14 -0.00 0.61 -2.31 115.31 115.49 1xm0 h LEU 129 Ca 0.00 -0.22 0.09 0.00 -0.00 0.00 0.00 57.88 57.75 1xm0 h LEU 129 Cb 0.23 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 1xm0 h LEU 129 CO 0.00 0.85 0.33 0.50 -0.00 0.00 0.00 178.44 180.12 1xm0 h LYS 130 N 0.39 0.27 0.00 0.17 3.64 -1.79 0.68 116.57 119.93 1xm0 h LYS 130 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xm0 h LYS 130 Cb 0.87 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1xm0 h LYS 130 CO 0.07 0.18 0.00 0.39 -2.27 0.00 0.00 179.45 177.82 1xm0 n GLU 131 N -4.46 0.21 -0.00 1.90 -0.58 -0.88 -2.73 120.64 114.09 1xm0 n GLU 131 Ca 0.07 0.06 0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1xm0 n GLU 131 Cb 0.35 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.60 1xm0 n GLU 131 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xm0 n GLU 132 N -1.38 0.66 0.00 3.49 4.71 0.23 -4.97 120.64 123.38 1xm0 n GLU 132 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1xm0 n GLU 132 Cb 0.24 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xm0 n GLY 133 N 1.43 1.00 0.77 0.62 0.00 -0.86 -4.44 105.19 103.70 1xm0 n GLY 133 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1xm0 n GLY 133 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xm0 n TYR 134 N 0.00 0.00 -0.20 1.61 4.19 -1.15 -4.73 117.16 116.88 1xm0 n TYR 134 Ca 0.00 -0.66 -0.02 0.00 3.31 0.00 0.00 57.90 60.52 1xm0 n TYR 134 Cb 0.00 -0.14 0.18 0.00 0.49 0.00 0.00 39.34 39.87 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1xm0 h GLU 135 N 0.54 0.98 -0.03 2.98 4.81 -1.82 -2.47 114.58 119.57 1xm0 h GLU 135 Ca -0.07 -0.14 -0.21 0.00 -0.13 0.00 0.00 59.36 58.81 1xm0 h GLU 135 Cb 1.40 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xm0 h GLU 135 CO 0.03 0.77 -0.87 0.66 -0.73 0.00 0.00 179.01 178.87 1xm0 h SER 136 N 0.97 0.52 0.02 1.04 4.64 -1.94 -3.17 113.55 115.63 1xm0 h SER 136 Ca 0.24 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1xm0 h SER 136 Cb 0.12 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1xm0 h SER 136 CO -0.03 1.17 -0.02 1.88 -0.87 0.00 0.00 176.83 178.96 1xm0 h TYR 137 N 0.25 0.02 -0.20 4.77 0.05 -1.79 -1.66 116.97 118.41 1xm0 h TYR 137 Ca -0.06 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.78 1xm0 h TYR 137 Cb 1.49 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.21 1xm0 h TYR 137 CO 0.05 0.05 0.32 -0.07 -1.05 0.00 0.00 178.16 177.46 1xm0 h LEU 138 N 0.03 0.00 -1.13 3.88 3.38 -1.45 0.67 115.31 120.68 1xm0 h LEU 138 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1xm0 h LEU 138 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xm0 h LEU 138 CO 0.00 0.00 -0.43 0.45 0.09 0.00 0.00 178.44 178.56 1xm0 h HIS 139 N 0.00 0.00 -0.82 1.13 3.86 -1.50 -2.98 115.15 114.84 1xm0 h HIS 139 Ca 0.10 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.44 1xm0 h HIS 139 Cb 0.73 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.14 1xm0 h HIS 139 CO 0.00 0.43 0.54 1.25 0.86 0.00 0.00 177.93 181.00 1xm0 h LEU 140 N 0.00 0.56 -8.49 2.43 5.85 0.20 -3.37 115.31 112.49 1xm0 h LEU 140 Ca -0.00 0.03 -0.65 0.00 0.84 0.00 0.00 57.88 58.09 1xm0 h LEU 140 Cb 0.78 -0.08 -0.26 0.00 0.37 0.00 0.00 40.66 41.46 1xm0 h LEU 140 CO 0.06 0.30 -0.69 0.12 -0.34 0.00 0.00 178.44 177.89 1xm0 s PHE 141 N -5.58 3.00 0.00 1.25 5.36 -1.13 -4.90 117.98 115.99 1xm0 s PHE 141 Ca -0.09 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1xm0 s PHE 141 Cb 0.21 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.74 1xm0 s PHE 141 CO 0.78 -0.47 0.00 -1.71 -1.46 0.00 0.00 175.22 172.36 1xm0 n ASN 142 N 4.82 0.00 -1.54 6.13 2.85 -1.26 -4.94 115.26 121.32 1xm0 n ASN 142 Ca -0.17 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.29 1xm0 n ASN 142 Cb 0.51 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.55 1xm0 n ASN 142 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1xm0 n LYS 143 N -0.74 0.26 -0.38 1.20 0.00 -1.26 -5.05 118.16 112.19 1xm0 n LYS 143 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 58.31 58.03 1xm0 n LYS 143 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 35.03 35.21 1xm0 n LYS 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1xm0 n LEU 144 N -0.30 -0.05 -4.36 3.14 0.00 -1.26 -4.74 117.00 109.44 1xm0 n LEU 144 Ca -0.05 -0.35 -0.39 0.00 0.00 0.00 0.00 56.01 55.21 1xm0 n LEU 144 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.85 1xm0 n LEU 144 CO -0.04 -0.38 -0.20 -0.70 0.00 0.00 0.00 177.39 176.08 1xm0 s GLU 145 N 0.81 2.86 0.00 1.96 -6.30 -1.26 -4.87 118.70 111.89 1xm0 s GLU 145 Ca 0.00 -1.04 0.00 0.00 -2.50 0.00 0.00 54.97 51.43 1xm0 s GLU 145 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.51 1xm0 s GLU 145 CO 0.00 -0.64 0.00 1.58 0.02 0.00 0.00 175.26 176.22 1xm0 n HIS 146 N 4.94 0.00 0.70 5.30 -0.00 -1.26 -5.26 115.22 119.64 1xm0 n HIS 146 Ca -0.12 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.14 1xm0 n HIS 146 Cb 0.46 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.40 1xm0 n HIS 146 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52