#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm2 n PRO 9 N 0.00 0.45 -1.49 0.00 -0.04 -1.26 -4.48 135.00 128.18 1xm2 n PRO 9 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1xm2 n PRO 9 Cb 0.00 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.14 1xm2 n PRO 9 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1xm2 n VAL 10 N 0.52 0.13 -4.88 0.52 0.31 -1.26 -4.93 118.33 108.74 1xm2 n VAL 10 Ca 0.00 -0.35 -0.26 0.00 -0.01 0.00 0.00 64.34 63.72 1xm2 n VAL 10 Cb 0.17 -1.83 -0.15 0.00 -0.91 0.00 0.00 33.84 31.12 1xm2 n VAL 10 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xm2 s GLU 11 N 6.96 1.53 -0.01 5.55 2.12 -1.26 -1.35 118.70 132.24 1xm2 s GLU 11 Ca 1.10 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1xm2 s GLU 11 Cb -0.72 -1.52 0.01 0.00 0.26 0.00 0.00 34.13 32.16 1xm2 s GLU 11 CO 0.43 0.41 -0.04 0.08 -0.54 0.00 0.00 175.26 175.60 1xm2 s VAL 12 N -0.54 0.35 0.07 3.70 1.01 -0.22 -4.94 120.40 119.83 1xm2 s VAL 12 Ca 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1xm2 s VAL 12 Cb -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1xm2 s VAL 12 CO -0.00 0.13 -0.09 0.42 0.00 0.00 0.00 175.10 175.55 1xm2 s THR 13 N 0.24 0.78 0.00 3.92 -4.23 -1.26 0.31 115.64 115.39 1xm2 s THR 13 Ca -0.02 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1xm2 s THR 13 Cb -0.06 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1xm2 s THR 13 CO -0.00 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 173.60 1xm2 n TYR 14 N 0.94 0.00 -0.09 3.99 9.36 -1.26 -5.00 117.16 125.10 1xm2 n TYR 14 Ca -0.19 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 60.88 1xm2 n TYR 14 Cb 0.56 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.20 1xm2 n TYR 14 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1xm2 n LYS 15 N 0.00 0.43 -2.79 2.98 5.02 -1.26 -4.72 118.16 117.83 1xm2 n LYS 15 Ca 0.00 0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 1xm2 n LYS 15 Cb 0.00 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1xm2 n LYS 15 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xm2 n ASN 16 N -3.26 5.44 0.00 4.39 0.23 -1.26 -5.18 115.26 115.62 1xm2 n ASN 16 Ca -0.33 -3.70 0.00 0.00 -0.53 0.00 0.00 54.58 50.02 1xm2 n ASN 16 Cb 0.82 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1xm2 n ASN 16 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1xm2 n ARG 18 N -0.22 0.00 -4.41 -3.83 0.63 -1.26 -4.72 116.66 102.85 1xm2 n ARG 18 Ca 0.37 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.99 1xm2 n ARG 18 Cb 0.37 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.17 1xm2 n ARG 18 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1xm2 s PHE 19 N 0.00 2.79 -0.18 -0.14 0.40 0.15 -2.61 117.98 118.38 1xm2 s PHE 19 Ca 0.00 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1xm2 s PHE 19 Cb 0.00 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 42.03 1xm2 s PHE 19 CO 0.00 0.37 -0.15 -1.17 0.70 0.00 0.00 175.22 174.97 1xm2 s LEU 20 N -1.71 2.18 -0.42 -0.37 2.96 -0.35 -1.06 118.68 119.90 1xm2 s LEU 20 Ca 0.18 -0.74 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 1xm2 s LEU 20 Cb -0.11 -1.34 0.05 0.00 0.50 0.00 0.00 46.19 45.29 1xm2 s LEU 20 CO 0.10 -0.07 0.30 -0.63 -1.32 0.00 0.00 176.35 174.73 1xm2 s ILE 21 N 1.35 4.88 0.37 6.68 1.01 -0.46 -0.74 121.20 134.30 1xm2 s ILE 21 Ca 0.02 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.74 1xm2 s ILE 21 Cb -0.14 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.48 1xm2 s ILE 21 CO -0.10 -0.42 0.52 0.42 0.00 0.00 0.00 174.94 175.35 1xm2 s THR 22 N 1.59 3.67 0.00 2.92 -4.23 -0.91 -4.07 115.64 114.60 1xm2 s THR 22 Ca 0.03 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1xm2 s THR 22 Cb -0.22 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1xm2 s THR 22 CO 0.06 -0.10 0.00 0.00 -0.54 0.00 0.00 174.62 174.04 1xm2 n HIS 23 N -1.74 -3.28 -3.21 3.99 1.44 -1.26 -4.25 115.22 106.91 1xm2 n HIS 23 Ca 0.03 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.32 1xm2 n HIS 23 Cb 0.58 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.62 1xm2 n HIS 23 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1xm2 s ASN 24 N -1.00 6.33 0.25 4.39 2.47 -1.26 -4.77 114.94 121.35 1xm2 s ASN 24 Ca 0.00 -0.08 -0.30 0.00 0.42 0.00 0.00 52.86 52.90 1xm2 s ASN 24 Cb 0.00 -2.28 -0.09 0.00 -1.45 0.00 0.00 41.25 37.43 1xm2 s ASN 24 CO 0.00 -0.54 1.06 -2.16 -3.72 0.00 0.00 177.10 171.74 1xm2 s PRO 25 N 2.47 4.68 0.03 0.43 0.04 -1.26 -5.06 135.00 136.34 1xm2 s PRO 25 Ca 0.20 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1xm2 s PRO 25 Cb -0.15 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1xm2 s PRO 25 CO 0.14 0.26 0.17 0.95 0.04 0.00 0.00 177.00 178.56 1xm2 s THR 26 N -0.98 5.24 0.39 1.26 -4.23 -1.26 -4.59 115.64 111.47 1xm2 s THR 26 Ca 0.45 -0.35 0.22 0.00 -1.18 0.00 0.00 61.69 60.82 1xm2 s THR 26 Cb -0.30 -3.50 0.40 0.00 1.34 0.00 0.00 72.50 70.44 1xm2 s THR 26 CO 0.38 0.23 1.66 0.78 -0.54 0.00 0.00 174.62 177.12 1xm2 h ASN 27 N 3.47 0.39 1.41 3.99 2.35 -1.98 0.33 115.58 125.53 1xm2 h ASN 27 Ca -0.47 0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1xm2 h ASN 27 Cb 1.17 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.66 1xm2 h ASN 27 CO 0.71 -0.14 -0.01 0.00 -1.65 0.00 0.00 177.43 176.34 1xm2 h ALA 28 N 1.73 1.00 -0.26 -0.83 0.00 -1.98 -3.24 119.26 115.67 1xm2 h ALA 28 Ca 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1xm2 h ALA 28 Cb 2.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1xm2 h ALA 28 CO -0.49 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.02 1xm2 n THR 29 N -3.10 1.10 0.22 0.00 -2.24 0.11 -4.64 114.28 105.72 1xm2 n THR 29 Ca 0.02 -1.08 0.13 0.00 -2.27 0.00 0.00 64.05 60.85 1xm2 n THR 29 Cb 0.40 0.44 0.66 0.00 -2.10 0.00 0.00 70.33 69.73 1xm2 n THR 29 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xm2 h LEU 30 N 1.51 0.00 0.14 3.22 5.85 -1.41 -1.60 115.31 123.01 1xm2 h LEU 30 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xm2 h LEU 30 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1xm2 h LEU 30 CO 0.01 0.00 -0.07 0.78 -0.34 0.00 0.00 178.44 178.83 1xm2 h ASN 31 N 0.00 -0.15 -0.95 1.25 -0.26 -1.86 -2.54 115.58 111.07 1xm2 h ASN 31 Ca 0.00 -0.31 0.08 0.00 -0.56 0.00 0.00 56.30 55.50 1xm2 h ASN 31 Cb 0.06 0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.29 1xm2 h ASN 31 CO 0.00 0.44 0.60 0.11 -1.06 0.00 0.00 177.43 177.51 1xm2 h LYS 32 N -0.96 1.02 -0.48 0.81 1.57 -1.78 -1.90 116.57 114.86 1xm2 h LYS 32 Ca -0.02 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xm2 h LYS 32 Cb 0.46 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1xm2 h LYS 32 CO 0.03 0.67 0.31 0.35 -0.57 0.00 0.00 179.45 180.24 1xm2 h PHE 33 N 1.05 0.59 0.00 -1.35 3.57 -1.38 -2.55 116.94 116.86 1xm2 h PHE 33 Ca 0.43 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.82 1xm2 h PHE 33 Cb 0.26 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1xm2 h PHE 33 CO -0.02 0.36 -0.59 0.82 -2.23 0.00 0.00 178.31 176.66 1xm2 h ILE 34 N 0.63 1.40 -0.09 1.41 2.04 -0.96 -2.46 117.51 119.48 1xm2 h ILE 34 Ca 0.18 -2.04 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 1xm2 h ILE 34 Cb -0.06 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1xm2 h ILE 34 CO -0.05 0.58 0.02 -0.08 0.00 0.00 0.00 178.15 178.63 1xm2 h GLU 35 N 0.00 0.15 0.07 2.37 4.81 -1.15 -2.21 114.58 118.61 1xm2 h GLU 35 Ca -0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1xm2 h GLU 35 Cb 1.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1xm2 h GLU 35 CO 0.08 0.32 -0.12 0.93 -0.73 0.00 0.00 179.01 179.49 1xm2 h GLU 36 N -0.05 -0.23 -0.63 1.92 4.39 -1.39 -1.79 114.58 116.80 1xm2 h GLU 36 Ca 0.03 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.87 1xm2 h GLU 36 Cb 0.24 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.85 1xm2 h GLU 36 CO 0.00 -0.15 0.14 -0.07 -1.16 0.00 0.00 179.01 177.77 1xm2 h LEU 37 N -0.23 0.00 -1.24 1.33 3.38 -1.38 0.32 115.31 117.49 1xm2 h LEU 37 Ca 0.02 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xm2 h LEU 37 Cb 0.25 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1xm2 h LEU 37 CO -0.07 0.00 0.51 0.11 0.09 0.00 0.00 178.44 179.09 1xm2 h LYS 38 N 0.26 1.00 -0.82 1.13 1.57 -1.06 -1.50 116.57 117.16 1xm2 h LYS 38 Ca 0.33 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1xm2 h LYS 38 Cb 0.51 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 1xm2 h LYS 38 CO -0.42 0.66 0.53 0.87 -0.57 0.00 0.00 179.45 180.52 1xm2 h LYS 39 N 1.03 1.01 -0.00 3.15 1.57 0.47 -1.32 116.57 122.48 1xm2 h LYS 39 Ca 0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1xm2 h LYS 39 Cb -0.08 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1xm2 h LYS 39 CO -0.07 0.67 0.00 0.66 -0.57 0.00 0.00 179.45 180.14 1xm2 n TYR 40 N -4.56 0.00 -2.72 -1.35 4.02 -0.52 -4.89 117.16 107.14 1xm2 n TYR 40 Ca 0.09 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.85 1xm2 n TYR 40 Cb 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.41 1xm2 n TYR 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xm2 n GLY 41 N 0.77 -0.00 3.68 2.72 0.00 -0.50 -4.28 105.19 107.58 1xm2 n GLY 41 Ca 0.13 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1xm2 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xm2 s VAL 42 N -2.92 4.77 -0.04 1.61 1.01 -0.78 -1.72 120.40 122.33 1xm2 s VAL 42 Ca 0.18 1.99 0.15 0.00 0.00 0.00 0.00 61.98 64.30 1xm2 s VAL 42 Cb -0.08 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 1xm2 s VAL 42 CO 0.23 -0.03 0.28 0.35 0.00 0.00 0.00 175.10 175.93 1xm2 n THR 43 N 4.75 0.18 -3.80 3.92 -2.24 -1.19 -4.68 114.28 111.21 1xm2 n THR 43 Ca 0.09 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1xm2 n THR 43 Cb 0.48 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 1xm2 n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xm2 s THR 44 N -2.93 0.04 0.04 4.28 -4.23 -1.26 -2.25 115.64 109.34 1xm2 s THR 44 Ca -0.06 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.15 1xm2 s THR 44 Cb 0.09 -0.46 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 1xm2 s THR 44 CO 0.62 -0.19 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.86 1xm2 s ILE 45 N -0.77 1.15 -0.20 2.99 2.07 0.76 -2.74 121.20 124.47 1xm2 s ILE 45 Ca -0.09 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.16 1xm2 s ILE 45 Cb -0.05 -1.04 0.02 0.00 0.13 0.00 0.00 42.46 41.53 1xm2 s ILE 45 CO 0.02 0.03 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.24 1xm2 s VAL 46 N -0.83 2.35 -0.31 4.00 1.01 -0.13 -0.90 120.40 125.59 1xm2 s VAL 46 Ca 0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1xm2 s VAL 46 Cb -0.08 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1xm2 s VAL 46 CO 0.01 0.41 0.41 -0.60 0.00 0.00 0.00 175.10 175.33 1xm2 s ARG 47 N 1.29 3.81 0.00 2.72 3.52 0.25 -2.25 118.95 128.29 1xm2 s ARG 47 Ca 0.03 -0.12 0.15 0.00 -0.13 0.00 0.00 55.73 55.66 1xm2 s ARG 47 Cb -0.15 -3.73 0.29 0.00 -1.56 0.00 0.00 34.95 29.81 1xm2 s ARG 47 CO -0.10 -0.43 1.19 1.33 -0.81 0.00 0.00 175.30 176.49 1xm2 n VAL 48 N 5.22 0.55 -4.14 7.11 0.24 -0.98 -1.42 118.33 124.91 1xm2 n VAL 48 Ca -0.08 -0.78 -0.12 0.00 -2.04 0.00 0.00 64.34 61.33 1xm2 n VAL 48 Cb 0.50 0.87 -0.02 0.00 -1.47 0.00 0.00 33.84 33.72 1xm2 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xm2 s GLU 50 N -2.74 4.39 0.46 0.00 1.03 -1.26 -4.66 118.70 115.93 1xm2 s GLU 50 Ca 0.03 2.02 -0.24 0.00 0.03 0.00 0.00 54.97 56.81 1xm2 s GLU 50 Cb -0.00 -3.22 -0.08 0.00 -0.80 0.00 0.00 34.13 30.03 1xm2 s GLU 50 CO 0.02 -0.27 1.31 0.00 -1.33 0.00 0.00 175.26 174.99 1xm2 n ALA 51 N 2.92 1.47 -1.74 -0.84 0.00 -1.26 -4.90 120.51 116.16 1xm2 n ALA 51 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1xm2 n ALA 51 Cb 0.43 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1xm2 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xm2 n THR 52 N -0.47 0.00 -3.67 0.00 -2.24 -1.26 -5.11 114.28 101.53 1xm2 n THR 52 Ca 0.07 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 1xm2 n THR 52 Cb 0.41 0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1xm2 n THR 52 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1xm2 s TYR 53 N 0.00 -0.38 -0.33 4.78 -0.85 -1.26 -4.54 117.35 114.77 1xm2 s TYR 53 Ca 0.00 0.65 -0.27 0.00 -0.52 0.00 0.00 57.07 56.92 1xm2 s TYR 53 Cb 0.00 0.22 0.01 0.00 0.38 0.00 0.00 41.96 42.57 1xm2 s TYR 53 CO 0.00 -0.46 1.00 0.34 -1.52 0.00 0.00 175.55 174.90 1xm2 s ASP 54 N -1.18 6.84 0.27 -0.18 3.68 -1.26 -4.92 116.67 119.91 1xm2 s ASP 54 Ca -0.12 0.90 0.23 0.00 2.13 0.00 0.00 52.55 55.69 1xm2 s ASP 54 Cb -0.03 -2.50 1.01 0.00 -1.45 0.00 0.00 42.92 39.95 1xm2 s ASP 54 CO 0.06 -0.83 1.69 0.35 0.13 0.00 0.00 175.17 176.57 1xm2 n THR 55 N 5.83 0.89 -0.34 1.71 -2.24 -1.26 -3.32 114.28 115.54 1xm2 n THR 55 Ca 0.10 0.35 0.02 0.00 -2.27 0.00 0.00 64.05 62.25 1xm2 n THR 55 Cb 0.47 -1.30 0.17 0.00 -2.10 0.00 0.00 70.33 67.58 1xm2 n THR 55 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1xm2 h THR 56 N 0.00 1.05 -0.75 4.28 1.35 -2.00 -1.49 112.91 115.35 1xm2 h THR 56 Ca 0.00 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 1xm2 h THR 56 Cb 0.28 -0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 66.54 1xm2 h THR 56 CO 0.00 0.19 0.43 -0.07 -0.25 0.00 0.00 175.52 175.83 1xm2 h LEU 57 N 1.07 0.92 -0.19 3.87 4.07 -1.99 -2.10 115.31 120.96 1xm2 h LEU 57 Ca 0.42 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.26 1xm2 h LEU 57 Cb 0.21 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1xm2 h LEU 57 CO -0.19 0.73 -0.04 0.58 -1.08 0.00 0.00 178.44 178.45 1xm2 h VAL 58 N 1.03 1.28 0.00 1.22 2.07 -1.51 -2.95 116.25 117.39 1xm2 h VAL 58 Ca 0.27 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1xm2 h VAL 58 Cb -0.00 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1xm2 h VAL 58 CO -0.05 0.30 -0.13 -0.33 0.02 0.00 0.00 177.57 177.38 1xm2 h GLU 59 N 0.08 0.00 -0.19 1.57 5.08 -1.24 -1.94 114.58 117.93 1xm2 h GLU 59 Ca 0.05 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1xm2 h GLU 59 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xm2 h GLU 59 CO 0.02 0.13 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.51 1xm2 h LYS 60 N 0.00 0.46 0.00 2.33 3.64 -1.22 -2.70 116.57 119.08 1xm2 h LYS 60 Ca -0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1xm2 h LYS 60 Cb 0.35 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1xm2 h LYS 60 CO 0.02 0.81 0.00 0.39 -2.27 0.00 0.00 179.45 178.40 1xm2 n GLU 61 N -4.01 0.64 0.00 1.90 -0.58 -0.75 -4.87 120.64 112.97 1xm2 n GLU 61 Ca -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xm2 n GLU 61 Cb 0.52 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1xm2 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xm2 n GLY 62 N 0.80 0.74 3.61 0.62 0.00 -1.02 -5.08 105.19 104.85 1xm2 n GLY 62 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1xm2 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xm2 s ILE 63 N -2.00 5.20 0.19 -0.61 1.01 -1.11 -4.95 121.20 118.93 1xm2 s ILE 63 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1xm2 s ILE 63 Cb 0.00 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1xm2 s ILE 63 CO 0.00 0.18 1.18 -1.00 0.00 0.00 0.00 174.94 175.30 1xm2 s HIS 64 N 1.97 3.45 -0.06 3.97 3.76 -0.95 -3.11 115.29 124.33 1xm2 s HIS 64 Ca 0.13 1.45 0.03 0.00 -0.15 0.00 0.00 55.06 56.53 1xm2 s HIS 64 Cb -0.16 -3.41 -0.03 0.00 1.11 0.00 0.00 32.58 30.10 1xm2 s HIS 64 CO 0.10 -1.10 -0.13 0.08 -0.85 0.00 0.00 174.74 172.83 1xm2 s VAL 65 N -0.10 3.12 -0.13 -0.90 1.01 -1.26 -0.17 120.40 121.97 1xm2 s VAL 65 Ca 0.52 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1xm2 s VAL 65 Cb -0.32 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1xm2 s VAL 65 CO 0.36 0.59 -0.14 -0.76 0.00 0.00 0.00 175.10 175.16 1xm2 s LEU 66 N -0.66 1.63 -0.53 3.92 1.43 -0.08 -4.95 118.68 119.44 1xm2 s LEU 66 Ca 0.10 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1xm2 s LEU 66 Cb -0.11 -1.11 0.13 0.00 0.03 0.00 0.00 46.19 45.13 1xm2 s LEU 66 CO 0.01 -0.05 0.43 -0.62 0.23 0.00 0.00 176.35 176.36 1xm2 s ASP 67 N 1.38 5.93 -0.54 2.29 -1.08 -1.26 -0.58 116.67 122.81 1xm2 s ASP 67 Ca 0.02 -1.97 0.07 0.00 -0.52 0.00 0.00 52.55 50.15 1xm2 s ASP 67 Cb -0.13 -2.09 0.31 0.00 -1.46 0.00 0.00 42.92 39.55 1xm2 s ASP 67 CO -0.08 -0.73 0.83 0.79 0.52 0.00 0.00 175.17 176.50 1xm2 n TRP 68 N 4.90 2.98 -2.69 -5.34 8.01 -0.51 -4.99 117.44 119.80 1xm2 n TRP 68 Ca -0.08 -3.97 -0.35 0.00 -1.31 0.00 0.00 57.50 51.79 1xm2 n TRP 68 Cb 0.41 -0.48 -0.05 0.00 -2.01 0.00 0.00 31.31 29.17 1xm2 n TRP 68 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1xm2 s PRO 69 N -2.88 4.17 0.06 -0.99 0.04 -1.22 -4.43 135.00 129.74 1xm2 s PRO 69 Ca 0.44 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 1xm2 s PRO 69 Cb 0.25 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1xm2 s PRO 69 CO -0.10 -0.10 0.07 -0.59 0.04 0.00 0.00 177.00 176.32 1xm2 s PHE 70 N -1.93 0.33 0.34 0.56 -0.12 -1.01 -4.96 117.98 111.19 1xm2 s PHE 70 Ca 0.61 -0.80 -0.27 0.00 -0.05 0.00 0.00 56.93 56.42 1xm2 s PHE 70 Cb -0.15 -0.23 -0.13 0.00 -0.63 0.00 0.00 43.02 41.88 1xm2 s PHE 70 CO 0.19 -0.44 0.98 -0.25 -0.05 0.00 0.00 175.22 175.66 1xm2 n ASP 71 N 0.17 1.18 -4.76 1.98 8.00 -1.26 -4.80 116.55 117.05 1xm2 n ASP 71 Ca -0.15 1.12 -0.38 0.00 0.71 0.00 0.00 54.79 56.09 1xm2 n ASP 71 Cb 0.61 -1.30 0.01 0.00 -0.02 0.00 0.00 41.12 40.42 1xm2 n ASP 71 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1xm2 s ASP 72 N -0.63 5.94 0.00 -2.24 -4.77 -1.26 -2.70 116.67 111.01 1xm2 s ASP 72 Ca 0.60 2.54 0.00 0.00 -3.30 0.00 0.00 52.55 52.39 1xm2 s ASP 72 Cb -0.65 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 38.56 1xm2 s ASP 72 CO 0.59 -1.09 0.00 0.61 0.70 0.00 0.00 175.17 175.98 1xm2 n GLY 73 N 0.59 1.05 3.80 2.12 0.00 -1.26 -4.95 105.19 106.53 1xm2 n GLY 73 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1xm2 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm2 s ALA 74 N 0.00 2.88 0.39 4.61 0.00 -1.10 -4.67 121.76 123.87 1xm2 s ALA 74 Ca 0.00 0.62 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 1xm2 s ALA 74 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1xm2 s ALA 74 CO 0.00 -0.32 1.14 -2.14 0.00 0.00 0.00 175.76 174.43 1xm2 s PRO 75 N -3.20 4.11 0.64 0.00 0.02 -1.26 -4.77 135.00 130.54 1xm2 s PRO 75 Ca 0.67 1.76 -0.17 0.00 0.02 0.00 0.00 61.00 63.28 1xm2 s PRO 75 Cb -0.17 -2.67 -0.01 0.00 0.02 0.00 0.00 34.50 31.67 1xm2 s PRO 75 CO 0.20 -0.25 1.19 -1.25 -0.33 0.00 0.00 177.00 176.56 1xm2 s PRO 76 N -2.30 2.70 1.06 5.54 0.04 -1.26 -4.93 135.00 135.86 1xm2 s PRO 76 Ca 0.57 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 1xm2 s PRO 76 Cb -0.29 -1.91 0.23 0.00 0.04 0.00 0.00 34.50 32.57 1xm2 s PRO 76 CO 0.36 -1.39 1.06 -1.54 0.04 0.00 0.00 177.00 175.53 1xm2 s SER 77 N -1.90 1.93 0.14 6.66 1.04 -1.26 -4.79 113.70 115.52 1xm2 s SER 77 Ca 0.75 1.44 -0.11 0.00 0.48 0.00 0.00 55.95 58.50 1xm2 s SER 77 Cb -0.28 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 1xm2 s SER 77 CO 0.38 -3.60 1.46 0.78 0.98 0.00 0.00 173.24 173.24 1xm2 h ASN 78 N -2.21 1.00 -0.65 7.02 2.35 -1.99 -1.59 115.58 119.51 1xm2 h ASN 78 Ca -0.57 -0.48 -0.05 0.00 -0.55 0.00 0.00 56.30 54.66 1xm2 h ASN 78 Cb 1.32 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.38 1xm2 h ASN 78 CO 0.53 1.28 0.22 -0.61 -1.65 0.00 0.00 177.43 177.20 1xm2 h GLN 79 N 0.74 0.99 0.47 0.81 4.15 -1.98 0.17 115.11 120.46 1xm2 h GLN 79 Ca 0.05 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1xm2 h GLN 79 Cb 1.04 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 1xm2 h GLN 79 CO 0.10 0.86 -0.36 0.82 -1.93 0.00 0.00 178.83 178.33 1xm2 h ILE 80 N 0.93 0.27 -0.38 2.39 2.04 -1.88 0.24 117.51 121.11 1xm2 h ILE 80 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 1xm2 h ILE 80 Cb 0.27 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1xm2 h ILE 80 CO -0.01 0.00 -0.05 0.58 0.00 0.00 0.00 178.15 178.67 1xm2 h VAL 81 N -0.82 0.67 -0.67 1.67 2.07 -1.12 0.60 116.25 118.65 1xm2 h VAL 81 Ca -0.05 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1xm2 h VAL 81 Cb 0.70 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1xm2 h VAL 81 CO 0.01 0.01 0.44 0.44 0.02 0.00 0.00 177.57 178.49 1xm2 h ASP 82 N 0.05 0.76 0.08 0.57 5.19 -0.74 -0.55 116.42 121.77 1xm2 h ASP 82 Ca 0.18 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1xm2 h ASP 82 Cb 0.27 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1xm2 h ASP 82 CO -0.35 0.54 -0.04 0.44 -3.12 0.00 0.00 179.24 176.71 1xm2 h ASP 83 N 0.90 -0.09 -0.86 6.45 3.32 0.07 -1.95 116.42 124.26 1xm2 h ASP 83 Ca 0.25 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1xm2 h ASP 83 Cb -0.08 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1xm2 h ASP 83 CO -0.06 0.13 0.56 -0.25 -1.72 0.00 0.00 179.24 177.90 1xm2 h TRP 84 N -0.32 1.00 -0.04 4.55 2.91 -0.72 -0.87 115.95 122.46 1xm2 h TRP 84 Ca -0.01 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.87 1xm2 h TRP 84 Cb 0.27 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 1xm2 h TRP 84 CO -0.01 0.55 -0.72 -0.07 -1.03 0.00 0.00 178.44 177.17 1xm2 h LEU 85 N 1.00 0.25 -0.45 0.65 3.38 -1.04 -2.03 115.31 117.07 1xm2 h LEU 85 Ca 0.36 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1xm2 h LEU 85 Cb 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xm2 h LEU 85 CO -0.12 0.88 -0.39 0.28 0.09 0.00 0.00 178.44 179.19 1xm2 h SER 86 N 0.14 0.93 0.66 -0.43 0.02 -0.82 -1.37 113.55 112.69 1xm2 h SER 86 Ca -0.02 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1xm2 h SER 86 Cb 1.27 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1xm2 h SER 86 CO 0.11 1.20 -0.49 0.25 -1.14 0.00 0.00 176.83 176.76 1xm2 h LEU 87 N 0.71 -1.28 -0.17 5.07 5.85 -1.03 -2.16 115.31 122.30 1xm2 h LEU 87 Ca 0.06 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1xm2 h LEU 87 Cb 0.96 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 1xm2 h LEU 87 CO 0.09 -0.71 -0.48 0.58 -0.34 0.00 0.00 178.44 177.58 1xm2 h VAL 88 N -1.11 0.07 -0.96 1.05 2.07 -1.36 -0.45 116.25 115.56 1xm2 h VAL 88 Ca -0.09 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1xm2 h VAL 88 Cb 0.91 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 30.61 1xm2 h VAL 88 CO 0.04 0.00 -0.44 1.17 0.02 0.00 0.00 177.57 178.36 1xm2 n LYS 89 N -5.43 -0.29 -0.01 1.57 4.81 -0.52 -2.89 118.16 115.40 1xm2 n LYS 89 Ca -0.05 1.46 -0.19 0.00 -0.87 0.00 0.00 58.31 58.67 1xm2 n LYS 89 Cb 0.37 -2.17 -0.14 0.00 0.02 0.00 0.00 35.03 33.12 1xm2 n LYS 89 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1xm2 h ILE 90 N 0.00 1.42 -0.50 3.15 2.04 -1.17 -3.33 117.51 119.12 1xm2 h ILE 90 Ca 0.27 -2.41 0.05 0.00 1.00 0.00 0.00 64.86 63.77 1xm2 h ILE 90 Cb 0.51 3.04 -0.08 0.00 -0.74 0.00 0.00 36.82 39.55 1xm2 h ILE 90 CO -0.93 0.64 -0.51 0.50 0.00 0.00 0.00 178.15 177.84 1xm2 h LYS 91 N -0.61 -0.27 0.00 2.37 1.63 -0.98 0.20 116.57 118.92 1xm2 h LYS 91 Ca -0.16 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1xm2 h LYS 91 Cb 1.45 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1xm2 h LYS 91 CO 0.05 -0.18 0.00 0.74 -3.45 0.00 0.00 179.45 176.61 1xm2 h PHE 92 N -0.28 0.00 0.09 1.91 0.05 -1.73 0.35 116.94 117.34 1xm2 h PHE 92 Ca 0.08 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 61.69 1xm2 h PHE 92 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.45 1xm2 h PHE 92 CO -0.79 0.00 -0.89 -0.09 -0.18 0.00 0.00 178.31 176.37 1xm2 h ARG 93 N 0.00 0.20 0.00 1.51 2.43 -0.89 -3.24 114.38 114.40 1xm2 h ARG 93 Ca 0.00 -0.34 -0.20 0.00 -0.81 0.00 0.00 59.98 58.63 1xm2 h ARG 93 Cb 0.08 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1xm2 h ARG 93 CO 0.00 1.16 -0.95 0.93 -1.51 0.00 0.00 179.97 179.60 1xm2 h GLU 94 N -0.52 0.01 -2.16 0.20 4.39 -0.25 -3.38 114.58 112.87 1xm2 h GLU 94 Ca -0.18 -0.02 -0.59 0.00 0.34 0.00 0.00 59.36 58.91 1xm2 h GLU 94 Cb 1.53 0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 29.77 1xm2 h GLU 94 CO 0.06 0.95 -0.69 0.39 -1.16 0.00 0.00 179.01 178.57 1xm2 n GLU 95 N -3.42 2.26 -1.66 2.33 1.02 0.12 -5.09 120.64 116.20 1xm2 n GLU 95 Ca -0.00 -4.43 -0.47 0.00 -0.02 0.00 0.00 57.16 52.23 1xm2 n GLU 95 Cb 0.89 -2.08 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1xm2 n GLU 95 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1xm2 n PRO 96 N 0.85 1.99 -0.02 3.49 -0.04 -1.22 -1.56 135.00 138.49 1xm2 n PRO 96 Ca 0.29 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1xm2 n PRO 96 Cb 0.43 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1xm2 n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xm2 n GLY 97 N 3.32 0.82 3.51 0.55 0.00 -1.26 -5.06 105.19 107.07 1xm2 n GLY 97 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1xm2 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm2 s ILE 100 N 0.83 4.94 -0.09 0.00 1.01 -1.07 -3.17 121.20 123.66 1xm2 s ILE 100 Ca -0.06 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1xm2 s ILE 100 Cb -0.09 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1xm2 s ILE 100 CO -0.04 0.47 0.23 0.00 0.00 0.00 0.00 174.94 175.61 1xm2 s ALA 101 N 0.23 3.80 0.01 9.38 0.00 -1.11 -1.21 121.76 132.87 1xm2 s ALA 101 Ca 0.05 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1xm2 s ALA 101 Cb -0.12 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1xm2 s ALA 101 CO -0.00 0.54 -0.13 0.14 0.00 0.00 0.00 175.76 176.31 1xm2 s VAL 102 N -0.94 1.02 -0.09 0.00 -7.23 0.08 -0.96 120.40 112.28 1xm2 s VAL 102 Ca 0.18 -0.72 -0.21 0.00 -1.81 0.00 0.00 61.98 59.42 1xm2 s VAL 102 Cb -0.14 -0.88 0.05 0.00 0.56 0.00 0.00 36.38 35.97 1xm2 s VAL 102 CO 0.07 0.16 0.50 -1.38 -0.31 0.00 0.00 175.10 174.13 1xm2 s HIS 103 N -0.53 -0.46 0.00 2.82 -3.43 -0.96 -2.15 115.29 110.58 1xm2 s HIS 103 Ca 0.03 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 1xm2 s HIS 103 Cb -0.06 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1xm2 s HIS 103 CO 0.00 -0.42 0.00 -1.13 -2.00 0.00 0.00 174.74 171.20 1xm2 n SER 104 N 1.70 0.20 -0.05 7.38 3.41 -1.26 -2.32 113.62 122.68 1xm2 n SER 104 Ca -0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.41 1xm2 n SER 104 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1xm2 n SER 104 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xm2 h VAL 105 N 0.00 0.00 0.00 -3.33 2.07 -1.94 -3.35 116.25 109.70 1xm2 h VAL 105 Ca 0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1xm2 h VAL 105 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1xm2 h VAL 105 CO 0.00 0.00 -1.41 0.00 0.02 0.00 0.00 177.57 176.18 1xm2 n ALA 106 N -3.07 3.87 -2.00 1.67 0.00 -1.26 -4.05 120.51 115.67 1xm2 n ALA 106 Ca -0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 1xm2 n ALA 106 Cb 0.10 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1xm2 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm2 n GLY 107 N 1.39 0.27 0.32 0.00 0.00 -1.26 -4.89 105.19 101.02 1xm2 n GLY 107 Ca 0.01 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1xm2 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xm2 n LEU 108 N -1.75 1.59 0.00 0.99 4.77 -1.26 -4.59 117.00 116.75 1xm2 n LEU 108 Ca -0.15 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1xm2 n LEU 108 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1xm2 n LEU 108 CO 0.18 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1xm2 n GLY 109 N 0.60 0.29 0.36 -0.72 0.00 -1.26 -3.16 105.19 101.30 1xm2 n GLY 109 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1xm2 n GLY 109 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xm2 h ARG 110 N 0.00 -0.14 0.68 1.61 3.08 -1.94 -0.91 114.38 116.76 1xm2 h ARG 110 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1xm2 h ARG 110 Cb 0.00 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1xm2 h ARG 110 CO 0.00 -0.09 -0.34 0.00 -1.07 0.00 0.00 179.97 178.46 1xm2 h ALA 111 N 0.98 -1.24 -0.90 0.04 0.00 -1.90 -2.59 119.26 113.65 1xm2 h ALA 111 Ca 0.24 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 55.21 1xm2 h ALA 111 Cb 0.56 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1xm2 h ALA 111 CO -0.74 -1.18 0.70 -1.00 0.00 0.00 0.00 179.25 177.04 1xm2 h PRO 112 N -0.94 0.00 -0.31 0.00 0.13 -1.77 -0.74 132.00 128.38 1xm2 h PRO 112 Ca -0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1xm2 h PRO 112 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1xm2 h PRO 112 CO 0.14 0.00 0.03 0.28 -0.23 0.00 0.00 178.00 178.23 1xm2 h VAL 113 N 0.00 1.24 -0.45 1.56 2.07 -0.79 0.26 116.25 120.14 1xm2 h VAL 113 Ca 0.43 -0.86 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 1xm2 h VAL 113 Cb 1.83 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1xm2 h VAL 113 CO -0.00 0.28 -0.22 -0.07 0.02 0.00 0.00 177.57 177.58 1xm2 h LEU 114 N 0.34 0.95 -0.75 2.57 4.07 -0.87 -0.92 115.31 120.71 1xm2 h LEU 114 Ca 0.09 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 57.74 1xm2 h LEU 114 Cb 0.38 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 1xm2 h LEU 114 CO 0.01 1.13 0.46 0.58 -1.08 0.00 0.00 178.44 179.53 1xm2 h VAL 115 N 0.80 1.06 0.20 1.22 2.07 -1.18 -1.67 116.25 118.75 1xm2 h VAL 115 Ca 0.11 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1xm2 h VAL 115 Cb 0.78 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1xm2 h VAL 115 CO 0.06 0.16 -0.24 0.00 0.02 0.00 0.00 177.57 177.57 1xm2 h ALA 116 N 1.34 -0.46 -0.84 1.67 0.00 0.20 -2.18 119.26 118.99 1xm2 h ALA 116 Ca 0.31 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.32 1xm2 h ALA 116 Cb 0.08 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1xm2 h ALA 116 CO -0.14 -0.80 0.39 -0.07 0.00 0.00 0.00 179.25 178.64 1xm2 h LEU 117 N -0.49 0.41 0.33 0.00 3.38 -0.64 -0.37 115.31 117.94 1xm2 h LEU 117 Ca 0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xm2 h LEU 117 Cb 0.47 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xm2 h LEU 117 CO -0.08 0.13 -0.22 0.00 0.09 0.00 0.00 178.44 178.36 1xm2 h ALA 118 N 1.59 -0.53 -0.49 1.53 0.00 -0.87 0.90 119.26 121.40 1xm2 h ALA 118 Ca 0.48 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1xm2 h ALA 118 Cb 0.75 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1xm2 h ALA 118 CO -0.42 -0.81 0.05 -0.07 0.00 0.00 0.00 179.25 178.00 1xm2 h LEU 119 N -0.54 -0.10 -0.62 0.00 3.38 -0.63 0.18 115.31 116.96 1xm2 h LEU 119 Ca -0.03 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1xm2 h LEU 119 Cb 0.46 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1xm2 h LEU 119 CO 0.02 -0.02 0.28 0.40 0.09 0.00 0.00 178.44 179.21 1xm2 h ILE 120 N 0.17 1.22 0.00 1.22 2.04 -0.88 0.17 117.51 121.45 1xm2 h ILE 120 Ca 0.25 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1xm2 h ILE 120 Cb 0.35 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1xm2 h ILE 120 CO -0.36 0.26 -0.05 -0.33 0.00 0.00 0.00 178.15 177.67 1xm2 h GLU 121 N 0.86 0.00 0.00 2.37 4.39 0.12 -0.60 114.58 121.73 1xm2 h GLU 121 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1xm2 h GLU 121 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xm2 h GLU 121 CO -0.02 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1xm2 n GLY 122 N -0.75 -1.29 0.00 -3.84 0.00 0.57 -5.05 105.19 94.83 1xm2 n GLY 122 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xm2 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xm2 n GLY 123 N 0.95 0.78 3.15 -0.02 0.00 -0.23 -5.01 105.19 104.79 1xm2 n GLY 123 Ca 0.07 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1xm2 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xm2 s LYS 125 N -0.66 1.42 0.33 1.61 1.02 -1.26 -5.01 119.74 117.19 1xm2 s LYS 125 Ca 0.00 -0.60 0.09 0.00 0.02 0.00 0.00 55.97 55.48 1xm2 s LYS 125 Cb 0.00 -1.35 0.96 0.00 -0.52 0.00 0.00 37.83 36.92 1xm2 s LYS 125 CO 0.00 0.34 1.60 0.10 -0.92 0.00 0.00 175.35 176.47 1xm2 h TYR 126 N 5.81 0.40 0.00 3.18 -0.00 -1.95 1.19 116.97 125.60 1xm2 h TYR 126 Ca -0.36 0.05 -0.06 0.00 0.00 0.00 0.00 58.73 58.37 1xm2 h TYR 126 Cb 1.15 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.86 1xm2 h TYR 126 CO 0.40 -0.38 -0.27 0.93 -0.00 0.00 0.00 178.16 178.85 1xm2 h GLU 127 N 0.08 0.00 -0.01 0.10 3.07 -1.99 -1.05 114.58 114.78 1xm2 h GLU 127 Ca 0.68 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.28 1xm2 h GLU 127 Cb 1.56 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.49 1xm2 h GLU 127 CO -0.79 0.27 -1.02 -0.44 -1.40 0.00 0.00 179.01 175.62 1xm2 h ASP 128 N 0.00 0.91 -0.17 1.42 5.19 0.92 -2.97 116.42 121.73 1xm2 h ASP 128 Ca -0.00 -0.73 -0.11 0.00 -0.62 0.00 0.00 57.03 55.56 1xm2 h ASP 128 Cb 0.57 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1xm2 h ASP 128 CO 0.03 1.53 -0.26 0.00 -3.12 0.00 0.00 179.24 177.42 1xm2 h ALA 129 N 0.40 0.96 0.20 3.45 0.00 -0.67 -1.17 119.26 122.43 1xm2 h ALA 129 Ca -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1xm2 h ALA 129 Cb 1.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1xm2 h ALA 129 CO 0.20 0.61 -0.10 0.28 0.00 0.00 0.00 179.25 180.24 1xm2 h VAL 130 N 0.55 0.86 -0.45 0.00 2.07 -1.25 -1.66 116.25 116.37 1xm2 h VAL 130 Ca 0.08 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 1xm2 h VAL 130 Cb 0.73 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1xm2 h VAL 130 CO 0.06 0.06 -0.07 1.56 0.02 0.00 0.00 177.57 179.20 1xm2 h GLN 131 N -0.40 0.84 -0.61 1.57 1.08 -1.51 0.56 115.11 116.64 1xm2 h GLN 131 Ca -0.03 -0.30 0.08 0.00 -1.45 0.00 0.00 58.65 56.95 1xm2 h GLN 131 Cb 0.31 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1xm2 h GLN 131 CO 0.04 0.93 0.41 0.35 -0.95 0.00 0.00 178.83 179.62 1xm2 h PHE 132 N 0.68 0.52 0.15 2.96 3.57 -1.16 -0.36 116.94 123.31 1xm2 h PHE 132 Ca 0.12 0.01 -0.35 0.00 3.53 0.00 0.00 57.97 61.29 1xm2 h PHE 132 Cb 0.60 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1xm2 h PHE 132 CO 0.05 0.26 -1.79 0.82 -2.23 0.00 0.00 178.31 175.42 1xm2 h ILE 133 N 0.50 0.88 0.00 1.41 2.04 -0.99 -3.32 117.51 118.04 1xm2 h ILE 133 Ca 0.28 -2.52 -0.01 0.00 1.00 0.00 0.00 64.86 63.61 1xm2 h ILE 133 Cb 0.43 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1xm2 h ILE 133 CO -0.08 0.85 -0.03 0.03 0.00 0.00 0.00 178.15 178.92 1xm2 h ARG 134 N 0.09 0.00 -0.51 2.37 3.08 -0.49 -1.22 114.38 117.69 1xm2 h ARG 134 Ca -0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1xm2 h ARG 134 Cb 2.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.09 1xm2 h ARG 134 CO 0.15 0.03 0.22 0.37 -1.07 0.00 0.00 179.97 179.67 1xm2 h GLN 135 N 0.00 0.72 0.08 0.04 5.75 -1.16 -3.05 115.11 117.49 1xm2 h GLN 135 Ca -0.00 -0.09 -0.34 0.00 -0.15 0.00 0.00 58.65 58.07 1xm2 h GLN 135 Cb 0.35 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1xm2 h GLN 135 CO 0.00 0.58 -1.87 0.87 -2.65 0.00 0.00 178.83 175.77 1xm2 h LYS 136 N 0.72 0.18 -4.20 1.69 6.56 -1.46 -3.45 116.57 116.61 1xm2 h LYS 136 Ca 0.18 -0.30 -0.61 0.00 -1.06 0.00 0.00 60.65 58.86 1xm2 h LYS 136 Cb 0.11 0.11 -0.39 0.00 -0.57 0.00 0.00 32.23 31.50 1xm2 h LYS 136 CO -0.02 0.97 -0.77 0.50 -2.06 0.00 0.00 179.45 178.07 1xm2 s ARG 137 N -2.58 1.36 0.00 3.15 6.06 -0.55 -4.80 118.95 121.59 1xm2 s ARG 137 Ca -0.15 -1.10 0.00 0.00 -2.50 0.00 0.00 55.73 51.97 1xm2 s ARG 137 Cb 0.07 -2.54 0.00 0.00 0.06 0.00 0.00 34.95 32.54 1xm2 s ARG 137 CO 0.80 -0.73 0.00 -2.13 -2.50 0.00 0.00 175.30 170.74 1xm2 n ARG 138 N 4.67 0.00 -2.42 5.12 0.63 -1.24 -2.57 116.66 120.85 1xm2 n ARG 138 Ca -0.07 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.43 1xm2 n ARG 138 Cb 0.44 -0.08 0.01 0.00 0.45 0.00 0.00 32.46 33.27 1xm2 n ARG 138 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xm2 n GLY 139 N 0.00 4.77 0.30 5.14 0.00 -1.26 -4.80 105.19 109.33 1xm2 n GLY 139 Ca 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 46.02 43.89 1xm2 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm2 n ALA 140 N 3.65 2.50 -3.47 4.61 0.00 -1.06 -4.81 120.51 121.93 1xm2 n ALA 140 Ca 0.38 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 1xm2 n ALA 140 Cb 0.36 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 1xm2 n ALA 140 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xm2 s PHE 141 N -1.77 -0.59 0.34 0.00 0.40 -1.19 -4.37 117.98 110.81 1xm2 s PHE 141 Ca 0.09 1.25 0.08 0.00 -0.60 0.00 0.00 56.93 57.75 1xm2 s PHE 141 Cb 0.05 0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.81 1xm2 s PHE 141 CO 0.06 -0.42 0.17 0.54 0.70 0.00 0.00 175.22 176.27 1xm2 s ASN 142 N -0.43 4.79 0.23 1.36 4.22 -1.26 -4.94 114.94 118.91 1xm2 s ASN 142 Ca -0.06 -0.73 -0.13 0.00 -2.14 0.00 0.00 52.86 49.81 1xm2 s ASN 142 Cb -0.03 -0.76 0.29 0.00 1.28 0.00 0.00 41.25 42.02 1xm2 s ASN 142 CO 0.04 -0.32 1.60 0.28 -2.04 0.00 0.00 177.10 176.66 1xm2 h SER 143 N 1.48 -0.80 0.01 3.54 0.02 -2.02 0.14 113.55 115.92 1xm2 h SER 143 Ca -0.44 0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1xm2 h SER 143 Cb 1.25 0.50 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1xm2 h SER 143 CO 0.62 -0.26 -0.00 0.11 -1.14 0.00 0.00 176.83 176.16 1xm2 h LYS 144 N -0.02 -0.01 -0.82 3.45 1.57 -1.96 -2.03 116.57 116.74 1xm2 h LYS 144 Ca 0.35 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 1xm2 h LYS 144 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1xm2 h LYS 144 CO -0.78 0.23 0.51 1.96 -0.57 0.00 0.00 179.45 180.79 1xm2 h GLN 145 N -0.24 0.92 -0.10 3.15 4.20 -1.68 -0.42 115.11 120.94 1xm2 h GLN 145 Ca -0.00 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1xm2 h GLN 145 Cb 0.24 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1xm2 h GLN 145 CO 0.00 0.61 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.58 1xm2 h LEU 146 N 0.95 -0.35 -0.48 1.46 3.38 -0.67 -2.01 115.31 117.58 1xm2 h LEU 146 Ca 0.35 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.47 1xm2 h LEU 146 Cb 0.13 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1xm2 h LEU 146 CO -0.16 -0.16 0.10 0.25 0.09 0.00 0.00 178.44 178.57 1xm2 h LEU 147 N -0.15 0.01 -0.87 1.67 5.85 -0.46 -0.94 115.31 120.43 1xm2 h LEU 147 Ca 0.08 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xm2 h LEU 147 Cb 0.26 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1xm2 h LEU 147 CO -0.19 0.04 0.48 0.22 -0.34 0.00 0.00 178.44 178.65 1xm2 h TYR 148 N 0.24 1.20 -0.27 1.25 3.20 -0.78 -1.10 116.97 120.71 1xm2 h TYR 148 Ca 0.24 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 1xm2 h TYR 148 Cb 0.31 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1xm2 h TYR 148 CO -0.22 0.83 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.85 1xm2 h LEU 149 N 1.22 0.48 -0.47 2.82 3.38 -0.85 0.49 115.31 122.39 1xm2 h LEU 149 Ca 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1xm2 h LEU 149 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1xm2 h LEU 149 CO -0.05 0.70 0.21 -0.08 0.09 0.00 0.00 178.44 179.31 1xm2 h GLU 150 N 0.44 0.68 0.00 1.13 4.81 -0.28 -2.84 114.58 118.51 1xm2 h GLU 150 Ca 0.07 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xm2 h GLU 150 Cb 0.61 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1xm2 h GLU 150 CO 0.04 0.59 -0.19 0.87 -0.73 0.00 0.00 179.01 179.59 1xm2 h LYS 151 N 0.61 0.00 -6.71 1.92 1.57 -0.99 -3.47 116.57 109.50 1xm2 h LYS 151 Ca 0.16 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.38 1xm2 h LYS 151 Cb 0.15 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.54 1xm2 h LYS 151 CO -0.02 0.00 0.74 0.98 -0.57 0.00 0.00 179.45 180.59 1xm2 n TYR 152 N -2.39 2.54 -3.93 -1.35 9.36 0.14 -5.00 117.16 116.53 1xm2 n TYR 152 Ca 0.04 0.35 -0.26 0.00 3.32 0.00 0.00 57.90 61.36 1xm2 n TYR 152 Cb 0.46 -2.53 -0.17 0.00 -0.63 0.00 0.00 39.34 36.47 1xm2 n TYR 152 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1xm2 s ARG 153 N -0.61 1.38 0.56 2.98 1.81 -1.26 -5.01 118.95 118.80 1xm2 s ARG 153 Ca 0.65 -0.20 -0.04 0.00 -1.72 0.00 0.00 55.73 54.41 1xm2 s ARG 153 Cb -0.56 -1.47 0.12 0.00 -0.45 0.00 0.00 34.95 32.59 1xm2 s ARG 153 CO 0.50 -0.25 0.76 -0.35 -0.68 0.00 0.00 175.30 175.28 1xm2 n PRO 154 N 4.88 -0.23 0.00 3.54 -0.04 -1.26 -5.18 135.00 136.71 1xm2 n PRO 154 Ca -0.13 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1xm2 n PRO 154 Cb 0.50 -0.62 0.00 0.00 -0.04 0.00 0.00 33.50 33.34 1xm2 n PRO 154 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63