#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 1.56 -2.62 0.00 -0.04 -1.26 -4.88 135.00 127.75 1xm2 n PRO 9 Ca 0.00 0.56 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 1xm2 n PRO 9 Cb 0.00 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 1xm2 n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xm2 s VAL 10 N 0.59 4.17 -0.00 0.52 1.01 -1.25 -5.01 120.40 120.42 1xm2 s VAL 10 Ca 0.81 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.87 1xm2 s VAL 10 Cb -0.84 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 30.88 1xm2 s VAL 10 CO 0.44 -1.13 -0.18 -0.70 0.00 0.00 0.00 175.10 173.53 1xm2 s GLU 11 N 4.56 2.22 -0.04 2.72 2.12 -1.26 -1.03 118.70 127.98 1xm2 s GLU 11 Ca 0.44 -0.88 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 1xm2 s GLU 11 Cb -0.08 -2.22 0.03 0.00 0.26 0.00 0.00 34.13 32.12 1xm2 s GLU 11 CO 0.28 0.57 0.01 0.08 -0.54 0.00 0.00 175.26 175.66 1xm2 s VAL 12 N -0.80 0.22 0.09 3.70 1.01 -0.10 -4.92 120.40 119.59 1xm2 s VAL 12 Ca 0.13 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.33 1xm2 s VAL 12 Cb -0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1xm2 s VAL 12 CO 0.02 0.19 -0.25 0.42 0.00 0.00 0.00 175.10 175.48 1xm2 s THR 13 N 1.42 2.03 0.00 3.92 -4.23 -1.26 -0.56 115.64 116.96 1xm2 s THR 13 Ca -0.04 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1xm2 s THR 13 Cb -0.13 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1xm2 s THR 13 CO -0.03 0.16 0.00 0.00 -0.54 0.00 0.00 174.62 174.21 1xm2 n TYR 14 N 1.34 0.00 -0.03 3.99 9.36 -1.26 -5.01 117.16 125.54 1xm2 n TYR 14 Ca -0.18 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 60.97 1xm2 n TYR 14 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.15 -2.42 2.98 5.02 -1.26 -4.57 118.16 118.05 1xm2 n LYS 15 Ca 0.00 0.07 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 1xm2 n LYS 15 Cb 0.00 -0.76 0.02 0.00 -0.02 0.00 0.00 35.03 34.27 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 -3.37 6.69 0.00 4.39 2.04 -1.26 -5.14 115.26 118.61 1xm2 n ASN 16 Ca -0.13 -3.74 0.00 0.00 -0.44 0.00 0.00 54.58 50.26 1xm2 n ASN 16 Cb 0.56 -0.96 0.00 0.00 -2.53 0.00 0.00 39.78 36.84 1xm2 n ASN 16 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 1xm2 n ARG 18 N -0.30 0.00 -5.07 -3.83 0.63 -1.26 -4.69 116.66 102.14 1xm2 n ARG 18 Ca 0.46 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 57.08 1xm2 n ARG 18 Cb 0.32 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.08 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 2.46 -0.26 -0.14 0.40 0.27 -2.23 117.98 118.48 1xm2 s PHE 19 Ca 0.00 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1xm2 s PHE 19 Cb 0.00 -1.52 0.05 0.00 0.51 0.00 0.00 43.02 42.06 1xm2 s PHE 19 CO 0.00 0.08 -0.08 -1.17 0.70 0.00 0.00 175.22 174.74 1xm2 s LEU 20 N -0.81 3.36 -0.24 -0.37 2.96 -0.91 -0.92 118.68 121.75 1xm2 s LEU 20 Ca 0.11 -1.18 -0.20 0.00 -0.22 0.00 0.00 54.13 52.64 1xm2 s LEU 20 Cb -0.10 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1xm2 s LEU 20 CO 0.00 -0.17 0.61 -0.63 -1.32 0.00 0.00 176.35 174.84 1xm2 s ILE 21 N 1.20 5.01 0.18 6.68 1.01 -0.20 -0.42 121.20 134.66 1xm2 s ILE 21 Ca -0.05 1.10 0.09 0.00 0.00 0.00 0.00 60.65 61.79 1xm2 s ILE 21 Cb -0.19 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1xm2 s ILE 21 CO -0.05 0.06 -0.08 0.42 0.00 0.00 0.00 174.94 175.29 1xm2 s THR 22 N 2.29 3.26 0.00 2.92 -4.23 -0.11 -3.83 115.64 115.94 1xm2 s THR 22 Ca 0.26 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1xm2 s THR 22 Cb -0.16 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1xm2 s THR 22 CO 0.09 -0.12 0.00 1.41 -0.54 0.00 0.00 174.62 175.46 1xm2 n HIS 23 N -0.02 0.00 -3.54 3.99 8.25 -1.26 -3.03 115.22 119.61 1xm2 n HIS 23 Ca -0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.96 1xm2 n HIS 23 Cb 0.56 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.56 1xm2 n HIS 23 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xm2 s ASN 24 N -1.00 6.06 -0.79 0.41 2.47 -1.26 -4.63 114.94 116.20 1xm2 s ASN 24 Ca 0.00 -0.21 -0.30 0.00 0.42 0.00 0.00 52.86 52.77 1xm2 s ASN 24 Cb 0.00 -2.14 -0.19 0.00 -1.45 0.00 0.00 41.25 37.47 1xm2 s ASN 24 CO 0.00 -0.17 2.29 -0.81 -3.72 0.00 0.00 177.10 174.69 1xm2 n PRO 25 N 5.12 0.00 -0.66 0.43 -0.04 -1.26 -4.86 135.00 133.73 1xm2 n PRO 25 Ca -0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.06 1xm2 n PRO 25 Cb 0.51 -1.33 0.14 0.00 -0.04 0.00 0.00 33.50 32.77 1xm2 n PRO 25 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xm2 n THR 26 N 6.47 0.00 -1.73 0.52 -2.24 -1.26 -4.16 114.28 111.88 1xm2 n THR 26 Ca 0.56 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 1xm2 n THR 26 Cb 0.01 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1xm2 n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xm2 n ASN 27 N -0.66 0.00 0.00 3.42 3.02 -1.26 -2.52 115.26 117.26 1xm2 n ASN 27 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1xm2 n ASN 27 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1xm2 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xm2 n ALA 28 N -0.69 0.00 -1.94 5.41 0.00 -1.26 -4.78 120.51 117.26 1xm2 n ALA 28 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1xm2 n ALA 28 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.35 1xm2 n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xm2 n THR 29 N -0.94 3.94 0.02 0.00 -2.24 -1.05 -4.72 114.28 109.30 1xm2 n THR 29 Ca 0.00 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.22 1xm2 n THR 29 Cb 0.00 -2.49 0.01 0.00 -2.10 0.00 0.00 70.33 65.75 1xm2 n THR 29 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xm2 n LEU 30 N 4.85 0.00 0.23 3.22 4.32 -1.26 -2.51 117.00 125.85 1xm2 n LEU 30 Ca 0.50 0.10 -0.15 0.00 -0.02 0.00 0.00 56.01 56.43 1xm2 n LEU 30 Cb 0.36 -0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 41.99 1xm2 n LEU 30 CO 0.86 -0.10 0.68 0.78 -1.22 0.00 0.00 177.39 178.39 1xm2 h ASN 31 N 0.00 -0.73 0.61 -1.43 2.35 -1.95 -0.87 115.58 113.57 1xm2 h ASN 31 Ca 0.00 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1xm2 h ASN 31 Cb 0.00 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1xm2 h ASN 31 CO 0.00 -0.43 -0.18 0.11 -1.65 0.00 0.00 177.43 175.28 1xm2 h LYS 32 N -0.65 0.00 -0.36 0.81 1.57 -1.92 -1.88 116.57 114.14 1xm2 h LYS 32 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1xm2 h LYS 32 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1xm2 h LYS 32 CO 0.00 0.18 0.11 0.35 -0.57 0.00 0.00 179.45 179.52 1xm2 h PHE 33 N 0.00 0.58 -0.15 -1.35 3.57 -1.49 -2.38 116.94 115.72 1xm2 h PHE 33 Ca -0.00 -0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.29 1xm2 h PHE 33 Cb 0.54 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1xm2 h PHE 33 CO 0.00 0.57 -0.55 0.82 -2.23 0.00 0.00 178.31 176.92 1xm2 h ILE 34 N 0.43 1.34 -0.50 1.41 2.04 -0.80 -2.62 117.51 118.80 1xm2 h ILE 34 Ca 0.11 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 1xm2 h ILE 34 Cb 0.27 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1xm2 h ILE 34 CO -0.00 0.56 0.26 -0.33 0.00 0.00 0.00 178.15 178.63 1xm2 h GLU 35 N 0.34 0.71 -0.26 2.37 5.08 -1.20 -2.29 114.58 119.32 1xm2 h GLU 35 Ca 0.01 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1xm2 h GLU 35 Cb 1.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1xm2 h GLU 35 CO 0.10 0.58 -0.35 0.93 -1.00 0.00 0.00 179.01 179.26 1xm2 h GLU 36 N 0.67 0.59 -0.19 2.33 5.08 -1.40 -2.43 114.58 119.21 1xm2 h GLU 36 Ca 0.17 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1xm2 h GLU 36 Cb 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xm2 h GLU 36 CO -0.02 0.86 0.11 -0.07 -1.00 0.00 0.00 179.01 178.88 1xm2 h LEU 37 N 0.49 0.17 -1.45 1.33 3.38 -1.22 -0.23 115.31 117.78 1xm2 h LEU 37 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xm2 h LEU 37 Cb 0.84 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1xm2 h LEU 37 CO 0.07 0.13 0.14 0.11 0.09 0.00 0.00 178.44 178.98 1xm2 h LYS 38 N 0.22 0.51 -0.26 1.13 1.57 -1.33 -1.66 116.57 116.75 1xm2 h LYS 38 Ca 0.08 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1xm2 h LYS 38 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1xm2 h LYS 38 CO -0.04 0.43 -0.39 0.87 -0.57 0.00 0.00 179.45 179.74 1xm2 h LYS 39 N 0.51 0.60 0.00 3.15 1.57 -0.85 -2.14 116.57 119.41 1xm2 h LYS 39 Ca 0.13 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1xm2 h LYS 39 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1xm2 h LYS 39 CO -0.01 0.89 0.00 0.66 -0.57 0.00 0.00 179.45 180.42 1xm2 n TYR 40 N -4.04 0.00 -2.53 -1.35 4.02 -0.17 -4.88 117.16 108.22 1xm2 n TYR 40 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.71 1xm2 n TYR 40 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.84 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 0.63 -0.25 3.73 2.72 0.00 -0.80 -4.47 105.19 106.76 1xm2 n GLY 41 Ca 0.07 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.88 4.14 -0.04 1.61 1.01 -0.72 -1.29 120.40 122.22 1xm2 s VAL 42 Ca 0.10 1.77 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1xm2 s VAL 42 Cb -0.04 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1xm2 s VAL 42 CO 0.12 0.27 0.02 0.35 0.00 0.00 0.00 175.10 175.86 1xm2 n THR 43 N 2.76 0.28 -4.05 3.92 -2.24 -0.95 -4.70 114.28 109.30 1xm2 n THR 43 Ca 0.03 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1xm2 n THR 43 Cb 0.47 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.12 0.40 -0.08 4.28 -4.23 -1.26 -1.52 115.64 111.12 1xm2 s THR 44 Ca -0.02 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1xm2 s THR 44 Cb 0.01 -0.46 0.01 0.00 1.34 0.00 0.00 72.50 73.41 1xm2 s THR 44 CO 0.18 -0.29 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.30 1xm2 s ILE 45 N -1.09 1.38 -0.34 2.99 2.07 0.94 -1.34 121.20 125.81 1xm2 s ILE 45 Ca -0.08 -0.62 -0.08 0.00 -1.41 0.00 0.00 60.65 58.46 1xm2 s ILE 45 Cb -0.08 -1.24 0.03 0.00 0.13 0.00 0.00 42.46 41.30 1xm2 s ILE 45 CO -0.00 0.41 0.13 -0.69 -1.91 0.00 0.00 174.94 172.88 1xm2 s VAL 46 N 0.61 4.05 -0.32 4.00 1.01 0.87 -0.93 120.40 129.69 1xm2 s VAL 46 Ca -0.15 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 1xm2 s VAL 46 Cb -0.16 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 1xm2 s VAL 46 CO 0.05 -0.12 0.70 -0.60 0.00 0.00 0.00 175.10 175.13 1xm2 s ARG 47 N 1.47 3.86 0.00 2.72 3.52 -0.07 -0.45 118.95 130.00 1xm2 s ARG 47 Ca 0.00 0.35 0.15 0.00 -0.13 0.00 0.00 55.73 56.10 1xm2 s ARG 47 Cb -0.19 -3.76 0.07 0.00 -1.56 0.00 0.00 34.95 29.52 1xm2 s ARG 47 CO 0.04 -0.68 0.91 1.55 -0.81 0.00 0.00 175.30 176.30 1xm2 n VAL 48 N 5.54 0.00 -1.83 7.11 3.14 0.35 -1.62 118.33 131.01 1xm2 n VAL 48 Ca 0.01 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1xm2 n VAL 48 Cb 0.48 1.26 0.00 0.00 -1.06 0.00 0.00 33.84 34.52 1xm2 n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xm2 s GLU 50 N 2.50 0.83 0.30 0.00 2.02 -1.26 -4.43 118.70 118.66 1xm2 s GLU 50 Ca 0.00 -0.61 -0.05 0.00 0.02 0.00 0.00 54.97 54.34 1xm2 s GLU 50 Cb 0.00 -0.16 -0.00 0.00 0.10 0.00 0.00 34.13 34.06 1xm2 s GLU 50 CO 0.00 -1.22 0.43 0.00 0.02 0.00 0.00 175.26 174.49 1xm2 s ALA 51 N 1.51 0.59 0.07 5.21 0.00 -1.26 -5.11 121.76 122.77 1xm2 s ALA 51 Ca 0.19 -1.39 -0.37 0.00 0.00 0.00 0.00 51.96 50.39 1xm2 s ALA 51 Cb -0.06 1.17 -0.18 0.00 0.00 0.00 0.00 23.12 24.05 1xm2 s ALA 51 CO -0.06 -0.78 1.15 2.41 0.00 0.00 0.00 175.76 178.48 1xm2 n THR 52 N -0.49 0.28 0.00 0.00 -1.04 -1.26 -4.87 114.28 106.91 1xm2 n THR 52 Ca 0.01 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1xm2 n THR 52 Cb 0.62 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1xm2 n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xm2 n TYR 53 N 1.77 0.00 -1.28 -1.42 9.36 -1.26 -4.93 117.16 119.40 1xm2 n TYR 53 Ca 0.18 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.12 1xm2 n TYR 53 Cb 0.16 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.76 1xm2 n TYR 53 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1xm2 n ASP 54 N 0.00 1.59 -0.31 2.98 -0.08 -1.26 -4.70 116.55 114.77 1xm2 n ASP 54 Ca 0.00 -2.54 0.17 0.00 -1.51 0.00 0.00 54.79 50.91 1xm2 n ASP 54 Cb 0.00 -1.31 0.35 0.00 2.34 0.00 0.00 41.12 42.50 1xm2 n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xm2 h THR 55 N 5.90 0.26 -0.68 5.18 1.03 -1.96 0.19 112.91 122.83 1xm2 h THR 55 Ca 0.15 -0.07 -0.07 0.00 -0.01 0.00 0.00 66.41 66.41 1xm2 h THR 55 Cb 0.87 0.04 -0.03 0.00 -1.07 0.00 0.00 68.15 67.97 1xm2 h THR 55 CO 1.44 0.04 0.16 0.71 -0.01 0.00 0.00 175.52 177.85 1xm2 h THR 56 N 0.19 1.26 -0.81 0.00 1.35 -2.00 -2.19 112.91 110.72 1xm2 h THR 56 Ca 0.61 -0.97 0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1xm2 h THR 56 Cb 1.32 0.58 -0.05 0.00 -1.73 0.00 0.00 68.15 68.27 1xm2 h THR 56 CO -0.68 0.37 0.53 0.25 -0.25 0.00 0.00 175.52 175.74 1xm2 h LEU 57 N 1.03 0.85 -0.02 3.87 5.85 -1.01 -0.39 115.31 125.49 1xm2 h LEU 57 Ca 0.21 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1xm2 h LEU 57 Cb 0.38 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1xm2 h LEU 57 CO 0.00 0.58 -0.01 0.58 -0.34 0.00 0.00 178.44 179.25 1xm2 h VAL 58 N 0.98 1.34 0.00 1.05 2.07 -1.07 -2.92 116.25 117.70 1xm2 h VAL 58 Ca 0.33 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1xm2 h VAL 58 Cb 0.07 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1xm2 h VAL 58 CO -0.10 0.27 -0.14 -0.33 0.02 0.00 0.00 177.57 177.29 1xm2 h GLU 59 N -0.36 0.00 0.00 1.57 5.08 -1.09 -0.98 114.58 118.79 1xm2 h GLU 59 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1xm2 h GLU 59 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xm2 h GLU 59 CO 0.00 0.14 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.66 1xm2 h LYS 60 N 0.00 0.00 0.00 2.33 3.64 -0.92 -1.90 116.57 119.72 1xm2 h LYS 60 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xm2 h LYS 60 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xm2 h LYS 60 CO 0.02 0.27 0.00 0.39 -2.27 0.00 0.00 179.45 177.86 1xm2 n GLU 61 N -4.18 0.41 0.00 1.90 -0.58 -0.38 -4.90 120.64 112.91 1xm2 n GLU 61 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1xm2 n GLU 61 Cb 0.32 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.28 0.96 3.60 0.62 0.00 -0.71 -5.10 105.19 105.83 1xm2 n GLY 62 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 5.17 0.22 -0.61 1.01 -1.19 -4.97 121.20 118.83 1xm2 s ILE 63 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1xm2 s ILE 63 Cb 0.00 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 1xm2 s ILE 63 CO 0.00 0.31 1.31 -2.28 0.00 0.00 0.00 174.94 174.28 1xm2 s HIS 64 N 1.36 3.23 -0.06 3.97 5.65 -0.57 -3.26 115.29 125.60 1xm2 s HIS 64 Ca 0.07 1.25 0.05 0.00 0.25 0.00 0.00 55.06 56.69 1xm2 s HIS 64 Cb -0.15 -3.62 -0.01 0.00 -1.18 0.00 0.00 32.58 27.63 1xm2 s HIS 64 CO 0.07 -1.88 -0.23 0.08 -0.65 0.00 0.00 174.74 172.12 1xm2 s VAL 65 N -0.12 1.94 -0.10 0.89 1.01 -1.26 -0.04 120.40 122.72 1xm2 s VAL 65 Ca 0.55 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1xm2 s VAL 65 Cb -0.37 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1xm2 s VAL 65 CO 0.41 0.54 -0.21 -0.76 0.00 0.00 0.00 175.10 175.08 1xm2 s LEU 66 N -0.05 1.98 -0.59 3.92 1.43 -0.10 -4.96 118.68 120.31 1xm2 s LEU 66 Ca -0.06 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 1xm2 s LEU 66 Cb -0.14 -1.29 0.15 0.00 0.03 0.00 0.00 46.19 44.94 1xm2 s LEU 66 CO 0.04 0.11 0.52 -0.62 0.23 0.00 0.00 176.35 176.63 1xm2 s ASP 67 N 0.56 6.19 -0.57 2.29 -1.08 -1.26 -0.89 116.67 121.91 1xm2 s ASP 67 Ca -0.14 -2.01 0.06 0.00 -0.52 0.00 0.00 52.55 49.93 1xm2 s ASP 67 Cb -0.17 -2.17 0.32 0.00 -1.46 0.00 0.00 42.92 39.44 1xm2 s ASP 67 CO 0.05 -0.76 0.88 0.79 0.52 0.00 0.00 175.17 176.64 1xm2 n TRP 68 N 4.90 3.57 -2.27 -5.34 8.01 -0.64 -5.01 117.44 120.67 1xm2 n TRP 68 Ca -0.07 -4.01 -0.39 0.00 -1.31 0.00 0.00 57.50 51.72 1xm2 n TRP 68 Cb 0.41 -0.50 -0.02 0.00 -2.01 0.00 0.00 31.31 29.19 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 -3.13 4.25 0.13 -0.99 0.04 -1.25 -4.59 135.00 129.47 1xm2 s PRO 69 Ca 0.46 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 63.40 1xm2 s PRO 69 Cb 0.25 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 1xm2 s PRO 69 CO -0.11 -0.18 0.16 -0.59 0.04 0.00 0.00 177.00 176.31 1xm2 s PHE 70 N -1.28 0.54 -0.08 0.56 -0.12 -1.13 -5.01 117.98 111.46 1xm2 s PHE 70 Ca 0.52 -0.94 -0.39 0.00 -0.05 0.00 0.00 56.93 56.08 1xm2 s PHE 70 Cb -0.34 -0.24 -0.17 0.00 -0.63 0.00 0.00 43.02 41.64 1xm2 s PHE 70 CO 0.43 -0.59 1.49 -0.25 -0.05 0.00 0.00 175.22 176.26 1xm2 n ASP 71 N -0.11 1.82 -4.71 1.98 9.92 -1.26 -4.88 116.55 119.30 1xm2 n ASP 71 Ca -0.08 1.11 -0.42 0.00 -0.53 0.00 0.00 54.79 54.86 1xm2 n ASP 71 Cb 0.63 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 39.94 1xm2 n ASP 71 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1xm2 s ASP 72 N 1.75 6.45 0.00 -2.24 3.68 -1.26 -2.03 116.67 123.03 1xm2 s ASP 72 Ca 0.91 2.75 0.00 0.00 2.13 0.00 0.00 52.55 58.35 1xm2 s ASP 72 Cb -1.04 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 37.84 1xm2 s ASP 72 CO 0.56 -0.94 0.00 0.61 0.13 0.00 0.00 175.17 175.53 1xm2 n GLY 73 N 4.00 1.76 3.82 2.66 0.00 -1.26 -5.00 105.19 111.18 1xm2 n GLY 73 Ca 0.16 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.26 2.66 0.36 4.61 0.00 -0.86 -4.67 121.76 123.59 1xm2 s ALA 74 Ca 0.00 0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1xm2 s ALA 74 Cb 0.00 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 1xm2 s ALA 74 CO 0.00 -1.25 1.12 -2.14 0.00 0.00 0.00 175.76 173.49 1xm2 s PRO 75 N -5.07 4.30 0.54 0.00 0.02 -1.26 -4.70 135.00 128.82 1xm2 s PRO 75 Ca 0.58 1.75 -0.21 0.00 0.02 0.00 0.00 61.00 63.15 1xm2 s PRO 75 Cb -0.14 -2.83 -0.05 0.00 0.02 0.00 0.00 34.50 31.50 1xm2 s PRO 75 CO 0.55 -0.08 1.20 -1.25 -0.33 0.00 0.00 177.00 177.08 1xm2 s PRO 76 N -2.04 3.31 1.32 5.54 0.04 -1.26 -4.85 135.00 137.06 1xm2 s PRO 76 Ca 0.53 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 1xm2 s PRO 76 Cb -0.29 -2.13 0.33 0.00 0.04 0.00 0.00 34.50 32.45 1xm2 s PRO 76 CO 0.37 -0.93 0.90 -1.13 0.04 0.00 0.00 177.00 176.25 1xm2 n SER 77 N -1.13 -2.96 0.07 6.66 3.41 -1.26 -4.78 113.62 113.63 1xm2 n SER 77 Ca 0.11 -0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 58.11 1xm2 n SER 77 Cb 0.49 -1.12 0.01 0.00 -0.26 0.00 0.00 64.21 63.33 1xm2 n SER 77 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1xm2 h ASN 78 N -3.14 0.40 -0.61 4.04 2.35 -1.99 -2.67 115.58 113.95 1xm2 h ASN 78 Ca -0.52 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 54.90 1xm2 h ASN 78 Cb 1.33 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 1xm2 h ASN 78 CO 0.38 1.05 0.24 1.56 -1.65 0.00 0.00 177.43 179.00 1xm2 h GLN 79 N 0.20 0.91 -0.61 0.81 1.08 -1.99 -0.16 115.11 115.36 1xm2 h GLN 79 Ca -0.04 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 56.91 1xm2 h GLN 79 Cb 1.40 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 1xm2 h GLN 79 CO 0.13 0.78 0.09 0.82 -0.95 0.00 0.00 178.83 179.70 1xm2 h ILE 80 N 0.84 1.26 -0.64 2.54 2.04 -1.90 0.35 117.51 122.01 1xm2 h ILE 80 Ca 0.20 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 1xm2 h ILE 80 Cb 0.21 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1xm2 h ILE 80 CO -0.02 0.38 0.15 0.58 0.00 0.00 0.00 178.15 179.24 1xm2 h VAL 81 N 0.92 1.26 0.41 1.67 2.07 -1.28 0.71 116.25 122.01 1xm2 h VAL 81 Ca 0.18 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1xm2 h VAL 81 Cb 0.44 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1xm2 h VAL 81 CO 0.01 0.35 -0.32 -0.78 0.02 0.00 0.00 177.57 176.86 1xm2 h ASP 82 N 0.95 -0.85 -0.36 0.57 3.58 -0.56 0.12 116.42 119.88 1xm2 h ASP 82 Ca 0.20 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 1xm2 h ASP 82 Cb 0.36 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1xm2 h ASP 82 CO 0.00 -0.48 0.21 0.44 -2.88 0.00 0.00 179.24 176.53 1xm2 h ASP 83 N -0.73 0.43 -0.16 2.28 3.32 -0.88 -2.37 116.42 118.30 1xm2 h ASP 83 Ca -0.04 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1xm2 h ASP 83 Cb 0.63 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1xm2 h ASP 83 CO -0.01 0.37 -0.22 -0.25 -1.72 0.00 0.00 179.24 177.41 1xm2 h TRP 84 N 0.46 -0.59 -0.52 4.55 -0.00 -0.61 0.14 115.95 119.37 1xm2 h TRP 84 Ca 0.13 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1xm2 h TRP 84 Cb 0.02 0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 1xm2 h TRP 84 CO -0.04 -0.30 0.33 -0.07 -0.00 0.00 0.00 178.44 178.36 1xm2 h LEU 85 N -0.27 0.61 0.03 0.65 3.38 -0.56 -0.67 115.31 118.48 1xm2 h LEU 85 Ca 0.11 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 1xm2 h LEU 85 Cb 0.43 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.05 1xm2 h LEU 85 CO -0.32 0.45 -0.96 -1.28 0.09 0.00 0.00 178.44 176.43 1xm2 h SER 86 N 0.71 0.79 -0.56 -0.43 0.87 -1.00 -2.35 113.55 111.58 1xm2 h SER 86 Ca 0.19 -0.77 0.10 0.00 -1.23 0.00 0.00 61.79 60.08 1xm2 h SER 86 Cb -0.06 -0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 61.58 1xm2 h SER 86 CO -0.04 1.46 0.13 0.25 -0.53 0.00 0.00 176.83 178.11 1xm2 h LEU 87 N 0.20 0.04 0.74 2.23 5.85 -0.22 -0.15 115.31 124.01 1xm2 h LEU 87 Ca -0.13 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1xm2 h LEU 87 Cb 1.64 0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.80 1xm2 h LEU 87 CO 0.19 0.04 -0.36 0.58 -0.34 0.00 0.00 178.44 178.55 1xm2 h VAL 88 N 0.28 0.23 -0.83 1.05 2.07 -1.13 -2.05 116.25 115.87 1xm2 h VAL 88 Ca 0.29 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.82 1xm2 h VAL 88 Cb 0.40 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 1xm2 h VAL 88 CO -0.35 0.01 0.47 0.11 0.02 0.00 0.00 177.57 177.82 1xm2 h LYS 89 N -1.07 0.74 0.60 1.57 1.57 -1.07 -3.05 116.57 115.85 1xm2 h LYS 89 Ca -0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1xm2 h LYS 89 Cb 0.78 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.93 1xm2 h LYS 89 CO 0.17 0.49 -0.29 0.82 -0.57 0.00 0.00 179.45 180.07 1xm2 h ILE 90 N 0.76 0.00 -0.62 1.86 2.04 -1.00 -3.20 117.51 117.34 1xm2 h ILE 90 Ca 0.41 -0.18 0.12 0.00 1.00 0.00 0.00 64.86 66.22 1xm2 h ILE 90 Cb 0.42 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.41 1xm2 h ILE 90 CO -0.27 0.00 0.08 0.50 0.00 0.00 0.00 178.15 178.46 1xm2 h LYS 91 N -0.98 0.19 0.00 2.37 1.63 -1.37 0.59 116.57 119.01 1xm2 h LYS 91 Ca -0.08 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1xm2 h LYS 91 Cb 0.61 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1xm2 h LYS 91 CO 0.13 0.13 -0.01 0.74 -3.45 0.00 0.00 179.45 176.99 1xm2 h PHE 92 N 0.20 0.00 0.17 1.91 0.05 -1.67 -0.61 116.94 116.99 1xm2 h PHE 92 Ca 0.33 0.00 -0.35 0.00 3.82 0.00 0.00 57.97 61.77 1xm2 h PHE 92 Cb 0.52 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.48 1xm2 h PHE 92 CO -0.29 0.01 -1.75 -0.09 -0.18 0.00 0.00 178.31 176.01 1xm2 h ARG 93 N 0.00 0.37 0.66 1.51 9.65 -1.36 -3.25 114.38 121.97 1xm2 h ARG 93 Ca -0.00 -0.63 -0.03 0.00 -1.10 0.00 0.00 59.98 58.22 1xm2 h ARG 93 Cb 0.56 0.23 0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1xm2 h ARG 93 CO 0.00 1.30 -0.32 1.49 2.80 0.00 0.00 179.97 185.25 1xm2 h GLU 94 N 0.06 -0.86 -3.10 0.20 4.81 -0.71 -3.38 114.58 111.61 1xm2 h GLU 94 Ca -0.35 0.06 -0.62 0.00 -0.13 0.00 0.00 59.36 58.32 1xm2 h GLU 94 Cb 2.06 0.20 -0.41 0.00 0.63 0.00 0.00 28.75 31.23 1xm2 h GLU 94 CO 0.16 -0.57 -0.69 -2.00 -0.73 0.00 0.00 179.01 175.18 1xm2 s GLU 95 N -6.05 1.72 0.20 1.92 2.12 -0.25 -5.09 118.70 113.28 1xm2 s GLU 95 Ca -0.18 -2.48 -0.32 0.00 0.36 0.00 0.00 54.97 52.35 1xm2 s GLU 95 Cb 0.03 -2.82 -0.13 0.00 0.26 0.00 0.00 34.13 31.47 1xm2 s GLU 95 CO 0.62 -1.18 1.54 -2.30 -0.54 0.00 0.00 175.26 173.39 1xm2 n PRO 96 N 3.04 2.22 -0.26 4.30 -0.02 -1.22 -2.18 135.00 140.89 1xm2 n PRO 96 Ca 0.11 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1xm2 n PRO 96 Cb 0.35 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1xm2 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xm2 n GLY 97 N 2.94 0.79 3.13 -1.23 0.00 -1.26 -5.06 105.19 104.50 1xm2 n GLY 97 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 0.38 4.38 0.05 0.00 1.01 -0.95 -2.24 121.20 123.85 1xm2 s ILE 100 Ca -0.03 -0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 1xm2 s ILE 100 Cb -0.04 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 1xm2 s ILE 100 CO -0.01 0.27 0.57 0.00 0.00 0.00 0.00 174.94 175.76 1xm2 s ALA 101 N 1.61 3.57 -0.17 9.38 0.00 -0.45 -2.14 121.76 133.57 1xm2 s ALA 101 Ca 0.06 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1xm2 s ALA 101 Cb -0.16 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.33 1xm2 s ALA 101 CO 0.04 0.35 -0.18 0.08 0.00 0.00 0.00 175.76 176.05 1xm2 s VAL 102 N -0.91 2.28 -0.23 0.00 1.01 0.44 -0.09 120.40 122.89 1xm2 s VAL 102 Ca 0.29 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1xm2 s VAL 102 Cb -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1xm2 s VAL 102 CO 0.18 0.53 -0.05 -2.28 0.00 0.00 0.00 175.10 173.48 1xm2 s HIS 103 N 1.16 2.98 0.00 5.22 5.04 0.41 -0.93 115.29 129.17 1xm2 s HIS 103 Ca 0.01 -1.16 0.00 0.00 -1.54 0.00 0.00 55.06 52.37 1xm2 s HIS 103 Cb -0.14 -2.09 0.00 0.00 0.04 0.00 0.00 32.58 30.39 1xm2 s HIS 103 CO -0.08 -0.62 0.00 -1.13 -2.34 0.00 0.00 174.74 170.57 1xm2 n SER 104 N 4.75 1.21 -0.07 9.88 3.41 -1.17 -0.50 113.62 131.14 1xm2 n SER 104 Ca -0.18 -0.79 -0.06 0.00 -0.26 0.00 0.00 58.87 57.59 1xm2 n SER 104 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.79 0.19 -0.00 -3.33 2.07 -1.90 -3.38 116.25 110.68 1xm2 h VAL 105 Ca 0.00 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1xm2 h VAL 105 Cb 0.00 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1xm2 h VAL 105 CO 0.00 0.06 -0.94 0.00 0.02 0.00 0.00 177.57 176.71 1xm2 n ALA 106 N -3.34 4.64 -2.37 1.67 0.00 -1.26 -4.15 120.51 115.70 1xm2 n ALA 106 Ca -0.08 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.57 1xm2 n ALA 106 Cb 0.25 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 1.49 -0.40 0.00 0.00 0.00 -1.26 -4.84 105.19 100.18 1xm2 n GLY 107 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.97 0.19 0.00 0.99 4.77 -1.26 -4.75 117.00 113.97 1xm2 n LEU 108 Ca -0.24 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1xm2 n LEU 108 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1xm2 n LEU 108 CO 0.28 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1xm2 n GLY 109 N 0.78 0.42 0.31 -0.72 0.00 -1.26 -3.61 105.19 101.11 1xm2 n GLY 109 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.08 0.17 1.61 3.08 -1.94 -1.93 114.38 115.44 1xm2 h ARG 110 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xm2 h ARG 110 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1xm2 h ARG 110 CO 0.00 0.05 -0.08 0.00 -1.07 0.00 0.00 179.97 178.87 1xm2 h ALA 111 N 1.82 -0.23 0.00 0.04 0.00 -1.91 -3.04 119.26 115.94 1xm2 h ALA 111 Ca 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1xm2 h ALA 111 Cb 0.94 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xm2 h ALA 111 CO -0.77 -0.50 -0.04 -1.00 0.00 0.00 0.00 179.25 176.94 1xm2 h PRO 112 N -0.48 0.00 -0.37 0.00 0.13 -1.77 -2.43 132.00 127.08 1xm2 h PRO 112 Ca -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 1xm2 h PRO 112 Cb 0.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1xm2 h PRO 112 CO 0.04 0.04 -0.10 0.28 -0.23 0.00 0.00 178.00 178.02 1xm2 h VAL 113 N 0.00 1.28 -0.32 1.56 2.07 -1.29 0.18 116.25 119.73 1xm2 h VAL 113 Ca -0.00 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1xm2 h VAL 113 Cb 0.38 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1xm2 h VAL 113 CO 0.00 0.39 0.02 -0.07 0.02 0.00 0.00 177.57 177.94 1xm2 h LEU 114 N 0.51 0.53 -1.07 2.57 3.38 -1.34 0.82 115.31 120.72 1xm2 h LEU 114 Ca 0.09 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1xm2 h LEU 114 Cb 0.62 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1xm2 h LEU 114 CO 0.04 0.69 0.62 0.58 0.09 0.00 0.00 178.44 180.46 1xm2 h VAL 115 N 0.36 1.15 -0.46 1.22 2.07 -1.36 -1.23 116.25 118.01 1xm2 h VAL 115 Ca 0.09 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1xm2 h VAL 115 Cb 0.40 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1xm2 h VAL 115 CO 0.01 0.22 0.16 0.00 0.02 0.00 0.00 177.57 177.98 1xm2 h ALA 116 N 1.45 0.60 -0.12 1.67 0.00 0.17 -2.14 119.26 120.89 1xm2 h ALA 116 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xm2 h ALA 116 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xm2 h ALA 116 CO -0.12 0.23 0.02 -0.07 0.00 0.00 0.00 179.25 179.31 1xm2 h LEU 117 N 0.60 0.15 -0.14 0.00 3.38 0.25 -0.69 115.31 118.86 1xm2 h LEU 117 Ca 0.15 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1xm2 h LEU 117 Cb 0.24 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xm2 h LEU 117 CO -0.01 0.17 -0.16 0.00 0.09 0.00 0.00 178.44 178.53 1xm2 h ALA 118 N 1.86 0.21 -0.80 1.53 0.00 -0.81 -2.25 119.26 118.99 1xm2 h ALA 118 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1xm2 h ALA 118 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1xm2 h ALA 118 CO -0.00 0.10 0.39 -0.07 0.00 0.00 0.00 179.25 179.67 1xm2 h LEU 119 N -0.03 1.04 -0.44 0.00 3.38 -0.85 -0.59 115.31 117.82 1xm2 h LEU 119 Ca 0.02 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xm2 h LEU 119 Cb 0.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1xm2 h LEU 119 CO 0.04 0.87 0.28 0.40 0.09 0.00 0.00 178.44 180.12 1xm2 h ILE 120 N 1.14 1.09 0.00 1.22 2.04 -1.08 -0.45 117.51 121.47 1xm2 h ILE 120 Ca 0.28 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1xm2 h ILE 120 Cb 0.10 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1xm2 h ILE 120 CO -0.04 0.10 -0.07 -0.33 0.00 0.00 0.00 178.15 177.81 1xm2 h GLU 121 N 0.57 0.00 0.00 2.37 4.39 -0.93 -0.96 114.58 120.02 1xm2 h GLU 121 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1xm2 h GLU 121 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1xm2 h GLU 121 CO -0.05 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 1xm2 n GLY 122 N -1.32 -0.89 0.00 -3.84 0.00 -0.20 -5.10 105.19 93.84 1xm2 n GLY 122 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.47 0.58 3.21 -0.02 0.00 -0.37 -5.05 105.19 104.01 1xm2 n GLY 123 Ca 0.12 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.64 0.92 0.33 1.61 1.02 -1.26 -5.01 119.74 116.71 1xm2 s LYS 125 Ca 0.00 -1.11 0.07 0.00 0.02 0.00 0.00 55.97 54.95 1xm2 s LYS 125 Cb 0.00 -0.85 0.75 0.00 -0.52 0.00 0.00 37.83 37.20 1xm2 s LYS 125 CO 0.00 0.17 1.85 0.10 -0.92 0.00 0.00 175.35 176.55 1xm2 h TYR 126 N 3.87 0.93 -0.74 3.18 -0.00 -1.96 0.50 116.97 122.75 1xm2 h TYR 126 Ca -0.40 0.03 0.01 0.00 0.00 0.00 0.00 58.73 58.36 1xm2 h TYR 126 Cb 1.19 -0.29 -0.04 0.00 0.00 0.00 0.00 36.73 37.59 1xm2 h TYR 126 CO 0.64 0.33 0.48 0.93 -0.00 0.00 0.00 178.16 180.54 1xm2 h GLU 127 N 0.77 0.97 -0.41 0.10 3.07 -1.99 0.83 114.58 117.93 1xm2 h GLU 127 Ca 0.48 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 59.32 1xm2 h GLU 127 Cb 0.71 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 1xm2 h GLU 127 CO -0.25 0.65 0.18 -0.44 -1.40 0.00 0.00 179.01 177.76 1xm2 h ASP 128 N 1.00 0.24 0.40 1.42 5.19 -1.37 -0.43 116.42 122.86 1xm2 h ASP 128 Ca 0.27 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.59 1xm2 h ASP 128 Cb -0.10 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1xm2 h ASP 128 CO -0.06 0.18 -0.53 0.00 -3.12 0.00 0.00 179.24 175.71 1xm2 h ALA 129 N 1.24 1.01 -0.25 3.45 0.00 -0.91 -0.41 119.26 123.38 1xm2 h ALA 129 Ca 0.18 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1xm2 h ALA 129 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xm2 h ALA 129 CO -0.15 0.68 -0.54 0.28 0.00 0.00 0.00 179.25 179.51 1xm2 h VAL 130 N 0.12 1.29 -0.09 0.00 2.07 -0.36 -2.53 116.25 116.76 1xm2 h VAL 130 Ca 0.00 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 1xm2 h VAL 130 Cb 0.98 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1xm2 h VAL 130 CO 0.08 0.56 -0.14 1.56 0.02 0.00 0.00 177.57 179.65 1xm2 h GLN 131 N 0.58 0.24 -0.39 1.57 1.08 -0.94 -2.37 115.11 114.87 1xm2 h GLN 131 Ca 0.01 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1xm2 h GLN 131 Cb 1.12 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.48 1xm2 h GLN 131 CO 0.11 0.72 -0.22 0.35 -0.95 0.00 0.00 178.83 178.84 1xm2 h PHE 132 N -0.21 -0.57 -0.28 2.96 3.57 -1.10 -1.90 116.94 119.40 1xm2 h PHE 132 Ca 0.01 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1xm2 h PHE 132 Cb 0.70 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1xm2 h PHE 132 CO 0.10 -0.30 -0.11 0.82 -2.23 0.00 0.00 178.31 176.59 1xm2 h ILE 133 N -0.15 1.29 0.00 1.41 2.04 -1.50 -2.83 117.51 117.77 1xm2 h ILE 133 Ca 0.19 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1xm2 h ILE 133 Cb 0.45 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1xm2 h ILE 133 CO -0.49 0.38 0.00 0.03 0.00 0.00 0.00 178.15 178.07 1xm2 h ARG 134 N 0.33 0.00 -0.17 2.37 3.08 -1.11 0.12 114.38 119.00 1xm2 h ARG 134 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1xm2 h ARG 134 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1xm2 h ARG 134 CO 0.04 0.00 -0.17 0.37 -1.07 0.00 0.00 179.97 179.13 1xm2 h GLN 135 N 0.00 0.28 0.00 0.04 -0.00 -1.08 -3.08 115.11 111.27 1xm2 h GLN 135 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1xm2 h GLN 135 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.46 1xm2 h GLN 135 CO 0.00 0.46 -1.75 1.63 0.00 0.00 0.00 178.83 179.16 1xm2 n LYS 136 N -4.22 0.61 -3.50 1.69 4.01 0.24 -4.87 118.16 112.12 1xm2 n LYS 136 Ca -0.01 -0.15 -0.26 0.00 -0.51 0.00 0.00 58.31 57.38 1xm2 n LYS 136 Cb 0.31 -1.43 -0.13 0.00 -0.51 0.00 0.00 35.03 33.26 1xm2 n LYS 136 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1xm2 s ARG 137 N -3.24 0.27 0.00 1.97 6.06 -0.25 -4.86 118.95 118.90 1xm2 s ARG 137 Ca -0.05 -0.55 0.00 0.00 -2.50 0.00 0.00 55.73 52.62 1xm2 s ARG 137 Cb 0.12 -1.06 0.00 0.00 0.06 0.00 0.00 34.95 34.07 1xm2 s ARG 137 CO 0.77 -1.05 0.18 0.54 -2.50 0.00 0.00 175.30 173.24 1xm2 n ARG 138 N 5.10 0.00 -2.78 5.12 1.74 -1.23 -2.58 116.66 122.03 1xm2 n ARG 138 Ca -0.03 0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 1xm2 n ARG 138 Cb 0.42 -0.30 0.01 0.00 -1.02 0.00 0.00 32.46 31.57 1xm2 n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xm2 n GLY 139 N -0.77 5.82 0.00 -0.13 0.00 -1.26 -4.85 105.19 104.00 1xm2 n GLY 139 Ca 0.00 -2.63 0.09 0.00 0.00 0.00 0.00 46.02 43.49 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 0.30 1.89 -3.17 4.61 0.00 -1.07 -4.84 120.51 118.24 1xm2 n ALA 140 Ca 0.40 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 1xm2 n ALA 140 Cb 0.29 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.98 -0.16 0.53 0.00 0.40 -1.24 -4.20 117.98 110.34 1xm2 s PHE 141 Ca 0.10 0.32 0.09 0.00 -0.60 0.00 0.00 56.93 56.83 1xm2 s PHE 141 Cb 0.13 0.06 0.06 0.00 0.51 0.00 0.00 43.02 43.77 1xm2 s PHE 141 CO 0.35 -0.27 0.69 0.54 0.70 0.00 0.00 175.22 177.22 1xm2 s ASN 142 N -0.80 5.19 0.12 1.36 2.20 -1.26 -4.91 114.94 116.84 1xm2 s ASN 142 Ca -0.09 -0.78 -0.26 0.00 -0.94 0.00 0.00 52.86 50.80 1xm2 s ASN 142 Cb -0.05 0.04 -0.05 0.00 -2.00 0.00 0.00 41.25 39.20 1xm2 s ASN 142 CO 0.02 -1.15 1.64 -1.28 -2.94 0.00 0.00 177.10 173.39 1xm2 h SER 143 N 0.38 -0.75 -0.16 3.54 0.87 -2.01 -0.92 113.55 114.49 1xm2 h SER 143 Ca -0.33 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.38 1xm2 h SER 143 Cb 1.29 0.31 -0.07 0.00 -0.44 0.00 0.00 62.40 63.49 1xm2 h SER 143 CO 0.44 -0.32 -0.38 0.11 -0.53 0.00 0.00 176.83 176.15 1xm2 h LYS 144 N -0.39 -0.42 -0.84 2.24 1.57 -1.95 -0.87 116.57 115.90 1xm2 h LYS 144 Ca 0.06 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1xm2 h LYS 144 Cb 0.48 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1xm2 h LYS 144 CO -0.23 -0.28 0.55 1.96 -0.57 0.00 0.00 179.45 180.88 1xm2 h GLN 145 N -0.44 0.90 -0.39 3.15 4.20 -1.79 -0.22 115.11 120.52 1xm2 h GLN 145 Ca 0.09 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1xm2 h GLN 145 Cb 0.60 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1xm2 h GLN 145 CO -0.40 0.59 -0.09 1.25 -0.67 0.00 0.00 178.83 179.52 1xm2 h LEU 146 N 0.92 0.75 -0.98 1.46 7.12 -0.43 -2.02 115.31 122.13 1xm2 h LEU 146 Ca 0.37 -0.36 -0.09 0.00 0.13 0.00 0.00 57.88 57.93 1xm2 h LEU 146 Cb 0.24 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 1xm2 h LEU 146 CO -0.13 0.94 -0.26 -0.07 -0.13 0.00 0.00 178.44 178.78 1xm2 h LEU 147 N 0.56 0.42 -0.16 2.25 4.07 -0.58 -1.80 115.31 120.08 1xm2 h LEU 147 Ca 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1xm2 h LEU 147 Cb 0.60 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1xm2 h LEU 147 CO 0.04 0.68 0.07 0.22 -1.08 0.00 0.00 178.44 178.37 1xm2 h TYR 148 N 0.37 0.24 0.00 1.13 3.20 -0.84 -2.68 116.97 118.39 1xm2 h TYR 148 Ca 0.05 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1xm2 h TYR 148 Cb 0.66 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1xm2 h TYR 148 CO 0.02 0.30 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.50 1xm2 h LEU 149 N 0.11 0.00 -0.97 2.82 3.38 -1.17 -1.61 115.31 117.87 1xm2 h LEU 149 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1xm2 h LEU 149 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xm2 h LEU 149 CO -0.00 0.27 -0.38 -0.08 0.09 0.00 0.00 178.44 178.33 1xm2 h GLU 150 N 0.00 0.25 0.00 1.13 4.81 -1.01 -3.05 114.58 116.71 1xm2 h GLU 150 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1xm2 h GLU 150 Cb 0.51 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1xm2 h GLU 150 CO 0.04 0.60 -0.64 1.63 -0.73 0.00 0.00 179.01 179.91 1xm2 n LYS 151 N -4.05 0.01 -1.75 1.92 5.02 -0.98 -4.94 118.16 113.38 1xm2 n LYS 151 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 1xm2 n LYS 151 Cb 0.46 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1xm2 n LYS 151 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1xm2 n TYR 152 N -1.51 2.45 -3.74 2.13 9.36 -0.64 -5.01 117.16 120.20 1xm2 n TYR 152 Ca 0.05 0.43 -0.26 0.00 3.32 0.00 0.00 57.90 61.44 1xm2 n TYR 152 Cb 0.34 -2.39 -0.17 0.00 -0.63 0.00 0.00 39.34 36.48 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 -2.80 0.61 0.23 2.98 0.52 -1.26 -5.04 118.95 114.19 1xm2 s ARG 153 Ca 0.69 -0.27 -0.31 0.00 -0.52 0.00 0.00 55.73 55.32 1xm2 s ARG 153 Cb -0.42 -1.82 -0.11 0.00 0.52 0.00 0.00 34.95 33.13 1xm2 s ARG 153 CO 0.51 -0.56 1.56 -1.25 0.02 0.00 0.00 175.30 175.58 1xm2 s PRO 154 N 1.90 4.19 0.00 3.54 0.04 -1.26 -5.19 135.00 138.23 1xm2 s PRO 154 Ca 0.01 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1xm2 s PRO 154 Cb -0.16 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1xm2 s PRO 154 CO -0.07 -0.58 0.49 1.63 0.04 0.00 0.00 177.00 178.50