#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm2 s PRO 9 N 0.00 2.72 0.19 0.00 0.04 -1.26 -4.76 135.00 131.92 1xm2 s PRO 9 Ca 0.00 -1.04 -0.30 0.00 0.04 0.00 0.00 61.00 59.70 1xm2 s PRO 9 Cb 0.00 -5.24 -0.08 0.00 0.04 0.00 0.00 34.50 29.22 1xm2 s PRO 9 CO 0.00 -3.58 0.94 0.08 0.04 0.00 0.00 177.00 174.48 1xm2 s VAL 10 N 9.80 4.24 0.02 -0.36 1.01 -1.15 -4.96 120.40 128.99 1xm2 s VAL 10 Ca 0.66 2.06 0.06 0.00 0.00 0.00 0.00 61.98 64.76 1xm2 s VAL 10 Cb -0.02 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1xm2 s VAL 10 CO 0.08 0.44 -0.17 -0.70 0.00 0.00 0.00 175.10 174.75 1xm2 s GLU 11 N -0.76 1.27 -0.04 2.72 2.12 -1.26 -0.94 118.70 121.81 1xm2 s GLU 11 Ca 0.43 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1xm2 s GLU 11 Cb -0.25 -1.29 0.03 0.00 0.26 0.00 0.00 34.13 32.88 1xm2 s GLU 11 CO 0.31 0.34 -0.00 0.08 -0.54 0.00 0.00 175.26 175.45 1xm2 s VAL 12 N -0.62 0.22 0.01 3.70 1.01 -0.12 -4.94 120.40 119.66 1xm2 s VAL 12 Ca 0.06 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1xm2 s VAL 12 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1xm2 s VAL 12 CO 0.00 0.17 -0.08 0.42 0.00 0.00 0.00 175.10 175.61 1xm2 s THR 13 N 1.16 0.60 0.00 3.92 -4.23 -1.26 0.06 115.64 115.89 1xm2 s THR 13 Ca -0.08 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1xm2 s THR 13 Cb -0.13 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.16 1xm2 s THR 13 CO -0.02 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1xm2 n TYR 14 N 2.48 0.00 -0.01 3.99 9.36 -1.26 -4.99 117.16 126.73 1xm2 n TYR 14 Ca -0.16 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.06 1xm2 n TYR 14 Cb 0.57 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.26 1xm2 n TYR 14 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1xm2 n LYS 15 N 0.00 3.57 -2.05 2.98 0.00 -1.26 -4.67 118.16 116.73 1xm2 n LYS 15 Ca 0.00 -0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 1xm2 n LYS 15 Cb 0.00 -1.04 0.02 0.00 -0.00 0.00 0.00 35.03 34.01 1xm2 n LYS 15 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1xm2 n ASN 16 N -2.04 5.54 0.00 -5.58 5.15 -1.26 -5.16 115.26 111.92 1xm2 n ASN 16 Ca -0.02 -3.76 0.00 0.00 -0.60 0.00 0.00 54.58 50.20 1xm2 n ASN 16 Cb 0.53 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1xm2 n ASN 16 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xm2 n ARG 18 N -0.65 0.00 -4.79 1.20 1.74 -1.26 -4.76 116.66 108.14 1xm2 n ARG 18 Ca 0.46 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 57.27 1xm2 n ARG 18 Cb 0.75 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 32.05 1xm2 n ARG 18 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xm2 s PHE 19 N 0.00 2.03 -0.27 -1.55 0.40 0.11 -2.21 117.98 116.48 1xm2 s PHE 19 Ca 0.00 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1xm2 s PHE 19 Cb 0.00 -1.22 0.05 0.00 0.51 0.00 0.00 43.02 42.36 1xm2 s PHE 19 CO 0.00 0.09 -0.06 -1.17 0.70 0.00 0.00 175.22 174.79 1xm2 s LEU 20 N -1.14 3.52 -0.17 -0.37 2.96 -0.80 -0.94 118.68 121.74 1xm2 s LEU 20 Ca 0.09 -1.20 -0.23 0.00 -0.22 0.00 0.00 54.13 52.58 1xm2 s LEU 20 Cb -0.09 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1xm2 s LEU 20 CO 0.02 -0.20 0.71 -0.63 -1.32 0.00 0.00 176.35 174.93 1xm2 s ILE 21 N 1.22 4.97 0.34 6.68 1.09 -0.11 -1.46 121.20 133.94 1xm2 s ILE 21 Ca -0.05 1.37 0.09 0.00 -1.10 0.00 0.00 60.65 60.96 1xm2 s ILE 21 Cb -0.19 -4.02 -0.07 0.00 -1.06 0.00 0.00 42.46 37.13 1xm2 s ILE 21 CO -0.04 0.10 -0.09 0.42 -0.10 0.00 0.00 174.94 175.23 1xm2 s THR 22 N 1.88 2.20 0.00 2.92 -4.23 -0.95 -2.96 115.64 114.51 1xm2 s THR 22 Ca 0.33 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1xm2 s THR 22 Cb -0.16 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1xm2 s THR 22 CO 0.12 -0.20 0.00 1.57 -0.54 0.00 0.00 174.62 175.57 1xm2 n HIS 23 N -0.79 0.00 -4.78 3.99 -0.00 -1.26 -3.77 115.22 108.61 1xm2 n HIS 23 Ca -0.05 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.86 1xm2 n HIS 23 Cb 0.64 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 30.34 1xm2 n HIS 23 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1xm2 s ASN 24 N -1.00 2.16 0.00 0.26 2.47 -1.26 -4.62 114.94 112.95 1xm2 s ASN 24 Ca 0.00 -0.37 0.00 0.00 0.42 0.00 0.00 52.86 52.91 1xm2 s ASN 24 Cb 0.00 -0.97 0.00 0.00 -1.45 0.00 0.00 41.25 38.83 1xm2 s ASN 24 CO 0.00 0.08 0.00 -0.81 -3.72 0.00 0.00 177.10 172.65 1xm2 n PRO 25 N 3.68 0.85 0.00 0.43 -0.04 -1.26 -5.04 135.00 133.62 1xm2 n PRO 25 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1xm2 n PRO 25 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1xm2 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xm2 n ALA 28 N -3.00 0.00 -3.27 0.55 0.00 -1.26 -4.69 120.51 108.84 1xm2 n ALA 28 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1xm2 n ALA 28 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 -0.98 0.93 0.00 -2.24 -1.26 -4.98 114.28 105.75 1xm2 n THR 29 Ca 0.00 -3.20 0.10 0.00 -2.27 0.00 0.00 64.05 58.68 1xm2 n THR 29 Cb 0.00 -1.33 0.30 0.00 -2.10 0.00 0.00 70.33 67.20 1xm2 n THR 29 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xm2 n LEU 30 N 2.58 2.14 0.02 3.22 0.00 -1.26 -3.86 117.00 119.83 1xm2 n LEU 30 Ca 0.27 -0.94 -0.19 0.00 0.00 0.00 0.00 56.01 55.14 1xm2 n LEU 30 Cb 0.50 -0.17 -0.14 0.00 0.00 0.00 0.00 43.42 43.61 1xm2 n LEU 30 CO 0.08 0.47 -0.68 0.78 0.00 0.00 0.00 177.39 178.05 1xm2 h ASN 31 N 2.69 0.39 0.41 1.96 2.35 -2.00 -3.16 115.58 118.23 1xm2 h ASN 31 Ca 0.00 -0.77 -0.17 0.00 -0.55 0.00 0.00 56.30 54.80 1xm2 h ASN 31 Cb 0.60 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1xm2 h ASN 31 CO 0.00 1.68 -0.73 0.11 -1.65 0.00 0.00 177.43 176.85 1xm2 h LYS 32 N 0.07 0.26 -0.51 0.81 1.57 -2.01 -2.96 116.57 113.79 1xm2 h LYS 32 Ca -0.37 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1xm2 h LYS 32 Cb 2.04 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.37 1xm2 h LYS 32 CO 0.11 0.88 0.33 0.35 -0.57 0.00 0.00 179.45 180.55 1xm2 h PHE 33 N 0.18 0.65 0.04 -1.35 3.57 -1.69 -2.53 116.94 115.81 1xm2 h PHE 33 Ca -0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xm2 h PHE 33 Cb 1.29 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1xm2 h PHE 33 CO 0.03 0.42 -0.02 0.82 -2.23 0.00 0.00 178.31 177.33 1xm2 h ILE 34 N 0.69 1.01 -0.83 1.41 2.04 -1.50 -2.31 117.51 118.02 1xm2 h ILE 34 Ca 0.19 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 66.04 1xm2 h ILE 34 Cb -0.07 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 1xm2 h ILE 34 CO -0.04 0.03 0.44 -0.33 0.00 0.00 0.00 178.15 178.25 1xm2 h GLU 35 N -0.11 0.64 0.40 2.37 4.39 -1.38 -0.98 114.58 119.91 1xm2 h GLU 35 Ca -0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1xm2 h GLU 35 Cb 0.10 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1xm2 h GLU 35 CO 0.01 0.43 -0.29 0.93 -1.16 0.00 0.00 179.01 178.92 1xm2 h GLU 36 N 0.66 -0.66 -0.33 2.33 4.39 -1.15 -1.46 114.58 118.36 1xm2 h GLU 36 Ca 0.44 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.25 1xm2 h GLU 36 Cb 0.56 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.31 1xm2 h GLU 36 CO -0.33 -0.44 -0.02 -0.07 -1.16 0.00 0.00 179.01 176.99 1xm2 h LEU 37 N -0.68 -0.17 -0.91 1.33 3.38 -0.84 -1.15 115.31 116.26 1xm2 h LEU 37 Ca -0.04 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1xm2 h LEU 37 Cb 0.58 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1xm2 h LEU 37 CO 0.01 -0.05 0.51 0.11 0.09 0.00 0.00 178.44 179.11 1xm2 h LYS 38 N 0.07 0.70 -0.16 1.13 1.57 -0.99 0.13 116.57 119.03 1xm2 h LYS 38 Ca 0.16 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1xm2 h LYS 38 Cb 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1xm2 h LYS 38 CO -0.29 0.47 -0.10 0.87 -0.57 0.00 0.00 179.45 179.83 1xm2 h LYS 39 N 0.73 0.24 -0.00 3.15 1.57 -0.13 -2.18 116.57 119.95 1xm2 h LYS 39 Ca 0.49 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1xm2 h LYS 39 Cb 0.67 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1xm2 h LYS 39 CO -0.35 0.36 -0.13 0.66 -0.57 0.00 0.00 179.45 179.42 1xm2 n TYR 40 N -4.30 0.00 -1.90 -1.35 4.02 0.37 -4.92 117.16 109.08 1xm2 n TYR 40 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1xm2 n TYR 40 Cb 0.25 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 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 1.49 0.49 3.66 2.72 0.00 -0.75 -4.60 105.19 108.21 1xm2 n GLY 41 Ca 0.07 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.04 4.77 -0.25 1.61 1.01 -0.97 -2.31 120.40 122.21 1xm2 s VAL 42 Ca 0.00 1.87 0.11 0.00 0.00 0.00 0.00 61.98 63.96 1xm2 s VAL 42 Cb 0.00 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 1xm2 s VAL 42 CO 0.00 -0.09 0.34 0.35 0.00 0.00 0.00 175.10 175.70 1xm2 n THR 43 N 5.06 0.00 -4.07 3.92 -2.24 -1.18 -4.67 114.28 111.10 1xm2 n THR 43 Ca 0.09 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1xm2 n THR 43 Cb 0.47 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 69.19 1xm2 n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xm2 s THR 44 N -2.38 0.35 -0.04 4.28 2.01 -1.26 0.91 115.64 119.51 1xm2 s THR 44 Ca -0.00 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1xm2 s THR 44 Cb 0.07 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1xm2 s THR 44 CO 0.44 -0.09 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.68 1xm2 s ILE 45 N -0.57 0.81 -0.34 1.82 2.07 0.10 -1.31 121.20 123.79 1xm2 s ILE 45 Ca -0.03 -0.31 -0.09 0.00 -1.41 0.00 0.00 60.65 58.81 1xm2 s ILE 45 Cb -0.05 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1xm2 s ILE 45 CO -0.00 0.27 0.15 -0.69 -1.91 0.00 0.00 174.94 172.76 1xm2 s VAL 46 N 0.60 4.28 -0.44 4.00 1.01 0.52 -0.73 120.40 129.64 1xm2 s VAL 46 Ca -0.10 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 1xm2 s VAL 46 Cb -0.13 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.96 1xm2 s VAL 46 CO 0.01 -0.09 0.87 -0.60 0.00 0.00 0.00 175.10 175.30 1xm2 s ARG 47 N 1.52 3.55 0.00 2.72 3.52 0.13 -2.17 118.95 128.23 1xm2 s ARG 47 Ca 0.02 0.14 0.22 0.00 -0.13 0.00 0.00 55.73 55.98 1xm2 s ARG 47 Cb -0.18 -3.91 -0.19 0.00 -1.56 0.00 0.00 34.95 29.11 1xm2 s ARG 47 CO 0.05 -1.14 0.80 0.28 -0.81 0.00 0.00 175.30 174.48 1xm2 n VAL 48 N 6.25 0.04 -2.99 7.11 0.31 -1.11 -0.63 118.33 127.31 1xm2 n VAL 48 Ca 0.05 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1xm2 n VAL 48 Cb 0.48 0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.88 1xm2 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xm2 s GLU 50 N -0.18 3.36 -0.92 0.00 1.03 -1.26 -4.63 118.70 116.09 1xm2 s GLU 50 Ca 0.00 -0.22 -0.15 0.00 0.03 0.00 0.00 54.97 54.63 1xm2 s GLU 50 Cb 0.00 -4.00 0.20 0.00 -0.80 0.00 0.00 34.13 29.53 1xm2 s GLU 50 CO 0.00 -1.27 0.96 0.34 -1.33 0.00 0.00 175.26 173.96 1xm2 s ASP 54 N 2.46 6.82 0.00 0.83 -1.08 -1.26 -5.11 116.67 119.33 1xm2 s ASP 54 Ca 0.29 -2.65 0.00 0.00 -0.52 0.00 0.00 52.55 49.67 1xm2 s ASP 54 Cb -0.13 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1xm2 s ASP 54 CO 0.21 -0.68 0.84 0.35 0.52 0.00 0.00 175.17 176.40 1xm2 n THR 55 N 4.28 1.38 -0.30 1.71 -2.24 -1.26 -2.51 114.28 115.33 1xm2 n THR 55 Ca 0.20 0.48 0.04 0.00 -2.27 0.00 0.00 64.05 62.49 1xm2 n THR 55 Cb 0.46 -1.48 0.19 0.00 -2.10 0.00 0.00 70.33 67.40 1xm2 n THR 55 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1xm2 h THR 56 N 0.00 0.89 -0.51 4.28 2.02 -2.00 0.34 112.91 117.93 1xm2 h THR 56 Ca 0.00 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1xm2 h THR 56 Cb 0.26 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1xm2 h THR 56 CO 0.00 0.15 0.30 0.25 0.37 0.00 0.00 175.52 176.58 1xm2 h LEU 57 N 0.80 0.47 0.27 2.58 6.46 -1.93 -0.21 115.31 123.76 1xm2 h LEU 57 Ca 0.42 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.19 1xm2 h LEU 57 Cb 0.42 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1xm2 h LEU 57 CO -0.26 0.33 -0.45 0.58 -0.62 0.00 0.00 178.44 178.02 1xm2 h VAL 58 N 0.59 0.00 -0.94 1.05 2.07 -1.19 -1.15 116.25 116.69 1xm2 h VAL 58 Ca 0.21 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.93 1xm2 h VAL 58 Cb 0.04 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.73 1xm2 h VAL 58 CO -0.10 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.77 1xm2 h GLU 59 N -0.77 0.48 0.01 1.57 4.39 -1.08 -2.63 114.58 116.56 1xm2 h GLU 59 Ca -0.03 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1xm2 h GLU 59 Cb 0.71 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1xm2 h GLU 59 CO -0.15 0.32 -0.38 -0.22 -1.16 0.00 0.00 179.01 177.41 1xm2 h LYS 60 N 0.50 -0.53 -0.69 2.33 1.63 0.27 -2.28 116.57 117.79 1xm2 h LYS 60 Ca 0.50 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 1xm2 h LYS 60 Cb 1.12 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1xm2 h LYS 60 CO -0.23 -0.35 0.00 -0.85 -3.45 0.00 0.00 179.45 174.57 1xm2 n GLU 61 N -5.44 1.11 0.00 1.90 0.00 -1.00 -4.85 120.64 112.37 1xm2 n GLU 61 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.00 1xm2 n GLU 61 Cb 0.36 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.42 1xm2 n GLU 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xm2 n GLY 62 N 0.18 0.96 3.45 -1.84 0.00 -0.86 -5.10 105.19 101.98 1xm2 n GLY 62 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 4.13 0.20 -0.61 1.01 -1.21 -4.91 121.20 117.81 1xm2 s ILE 63 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.10 1xm2 s ILE 63 Cb 0.00 -2.89 -0.10 0.00 0.01 0.00 0.00 42.46 39.48 1xm2 s ILE 63 CO 0.00 0.39 1.50 -1.00 0.00 0.00 0.00 174.94 175.83 1xm2 s HIS 64 N 1.26 3.05 -0.13 3.97 3.76 0.26 -3.55 115.29 123.90 1xm2 s HIS 64 Ca 0.04 0.82 0.01 0.00 -0.15 0.00 0.00 55.06 55.78 1xm2 s HIS 64 Cb -0.15 -3.87 -0.01 0.00 1.11 0.00 0.00 32.58 29.67 1xm2 s HIS 64 CO 0.02 -3.04 -0.15 0.08 -0.85 0.00 0.00 174.74 170.80 1xm2 s VAL 65 N 0.63 2.79 -0.16 -0.90 1.01 -1.26 0.02 120.40 122.53 1xm2 s VAL 65 Ca 0.65 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1xm2 s VAL 65 Cb -0.43 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1xm2 s VAL 65 CO 0.37 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 175.07 1xm2 s LEU 66 N 0.48 1.84 -0.64 3.92 1.43 0.09 -4.95 118.68 120.85 1xm2 s LEU 66 Ca -0.11 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1xm2 s LEU 66 Cb -0.16 -1.28 0.17 0.00 0.03 0.00 0.00 46.19 44.94 1xm2 s LEU 66 CO 0.05 -0.04 0.55 -1.81 0.23 0.00 0.00 176.35 175.33 1xm2 s ASP 67 N 1.42 6.11 -0.68 2.29 1.01 -1.26 0.22 116.67 125.78 1xm2 s ASP 67 Ca 0.05 -2.35 0.05 0.00 0.71 0.00 0.00 52.55 51.02 1xm2 s ASP 67 Cb -0.13 -2.10 0.24 0.00 1.01 0.00 0.00 42.92 41.95 1xm2 s ASP 67 CO -0.11 -0.62 0.76 0.79 0.21 0.00 0.00 175.17 176.19 1xm2 n TRP 68 N 4.38 3.55 -2.55 4.23 8.01 0.20 -4.95 117.44 130.30 1xm2 n TRP 68 Ca 0.02 -4.10 -0.38 0.00 -1.31 0.00 0.00 57.50 51.73 1xm2 n TRP 68 Cb 0.42 -0.62 -0.04 0.00 -2.01 0.00 0.00 31.31 29.06 1xm2 n TRP 68 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1xm2 s PRO 69 N -2.36 4.34 -0.13 -0.99 0.02 -1.16 -4.30 135.00 130.42 1xm2 s PRO 69 Ca 0.37 1.57 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1xm2 s PRO 69 Cb 0.12 -2.75 0.04 0.00 0.02 0.00 0.00 34.50 31.92 1xm2 s PRO 69 CO -0.03 0.00 0.38 -0.59 -0.33 0.00 0.00 177.00 176.43 1xm2 s PHE 70 N -1.51 -0.40 0.28 6.54 -0.12 -0.94 -5.00 117.98 116.83 1xm2 s PHE 70 Ca 0.53 0.95 -0.20 0.00 -0.05 0.00 0.00 56.93 58.16 1xm2 s PHE 70 Cb -0.24 0.14 -0.14 0.00 -0.63 0.00 0.00 43.02 42.15 1xm2 s PHE 70 CO 0.31 -0.22 0.22 -0.25 -0.05 0.00 0.00 175.22 175.23 1xm2 n ASP 71 N 2.70 -1.90 -4.76 1.98 8.00 -1.26 -4.83 116.55 116.48 1xm2 n ASP 71 Ca -0.14 0.80 -0.40 0.00 0.71 0.00 0.00 54.79 55.76 1xm2 n ASP 71 Cb 0.57 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 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 -0.85 7.02 0.00 -2.24 -4.77 -1.26 -3.06 116.67 111.50 1xm2 s ASP 72 Ca 0.52 2.43 0.00 0.00 -3.30 0.00 0.00 52.55 52.21 1xm2 s ASP 72 Cb -0.64 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 38.55 1xm2 s ASP 72 CO 0.51 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 176.66 1xm2 n GLY 73 N 0.99 1.26 3.78 2.12 0.00 -1.26 -4.96 105.19 107.12 1xm2 n GLY 73 Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.08 2.84 0.27 4.61 0.00 -1.17 -4.73 121.76 123.50 1xm2 s ALA 74 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1xm2 s ALA 74 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1xm2 s ALA 74 CO 0.00 -0.52 1.15 -2.14 0.00 0.00 0.00 175.76 174.25 1xm2 s PRO 75 N -3.12 4.56 0.50 0.00 0.02 -1.26 -4.76 135.00 130.94 1xm2 s PRO 75 Ca 0.68 1.90 -0.23 0.00 0.02 0.00 0.00 61.00 63.36 1xm2 s PRO 75 Cb -0.21 -3.17 -0.06 0.00 0.02 0.00 0.00 34.50 31.07 1xm2 s PRO 75 CO 0.25 0.09 1.35 -1.25 -0.33 0.00 0.00 177.00 177.11 1xm2 s PRO 76 N -1.32 3.45 1.15 5.54 0.04 -1.26 -4.96 135.00 137.64 1xm2 s PRO 76 Ca 0.47 2.22 -0.13 0.00 0.04 0.00 0.00 61.00 63.60 1xm2 s PRO 76 Cb -0.34 -2.43 0.27 0.00 0.04 0.00 0.00 34.50 32.04 1xm2 s PRO 76 CO 0.43 -0.94 0.98 -1.13 0.04 0.00 0.00 177.00 176.37 1xm2 n SER 77 N -0.62 -1.59 0.22 6.66 3.41 -1.26 -4.77 113.62 115.66 1xm2 n SER 77 Ca 0.08 -0.11 0.09 0.00 -0.26 0.00 0.00 58.87 58.66 1xm2 n SER 77 Cb 0.44 -1.27 0.47 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.60 0.00 0.55 4.04 2.35 -1.99 -2.61 115.58 115.33 1xm2 h ASN 78 Ca -0.60 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1xm2 h ASN 78 Cb 1.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.70 1xm2 h ASN 78 CO 0.48 0.26 -0.27 1.56 -1.65 0.00 0.00 177.43 177.82 1xm2 h GLN 79 N 0.00 -0.72 0.01 0.81 7.50 -1.99 -1.33 115.11 119.39 1xm2 h GLN 79 Ca -0.00 0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.22 1xm2 h GLN 79 Cb 0.70 0.16 -0.04 0.00 0.05 0.00 0.00 27.48 28.36 1xm2 h GLN 79 CO 0.03 -0.41 -0.23 0.82 -1.50 0.00 0.00 178.83 177.55 1xm2 h ILE 80 N -1.02 0.48 -0.70 2.54 2.04 -1.90 -0.13 117.51 118.82 1xm2 h ILE 80 Ca -0.08 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.93 1xm2 h ILE 80 Cb 0.64 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 1xm2 h ILE 80 CO 0.12 0.00 0.17 0.58 0.00 0.00 0.00 178.15 179.02 1xm2 h VAL 81 N -0.36 0.55 -0.27 1.67 2.07 -1.51 0.53 116.25 118.92 1xm2 h VAL 81 Ca 0.06 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1xm2 h VAL 81 Cb 0.44 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1xm2 h VAL 81 CO -0.20 0.05 0.05 0.44 0.02 0.00 0.00 177.57 177.93 1xm2 h ASP 82 N 0.28 0.43 -0.54 0.57 5.19 -0.46 -1.38 116.42 120.50 1xm2 h ASP 82 Ca 0.39 -0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1xm2 h ASP 82 Cb 0.64 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1xm2 h ASP 82 CO -0.48 0.57 0.20 0.44 -3.12 0.00 0.00 179.24 176.85 1xm2 h ASP 83 N 0.27 0.75 -0.01 6.45 3.32 -0.08 -1.91 116.42 125.21 1xm2 h ASP 83 Ca 0.08 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1xm2 h ASP 83 Cb 0.32 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1xm2 h ASP 83 CO 0.00 0.73 -0.10 -0.25 -1.72 0.00 0.00 179.24 177.90 1xm2 h TRP 84 N 0.73 -0.26 -0.12 4.55 2.91 0.12 0.24 115.95 124.12 1xm2 h TRP 84 Ca 0.18 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.14 1xm2 h TRP 84 Cb 0.23 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1xm2 h TRP 84 CO 0.01 -0.16 -0.21 -0.07 -1.03 0.00 0.00 178.44 176.98 1xm2 h LEU 85 N -0.17 0.19 -0.11 0.65 3.38 -1.12 -0.50 115.31 117.63 1xm2 h LEU 85 Ca 0.04 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1xm2 h LEU 85 Cb 0.23 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xm2 h LEU 85 CO -0.11 0.42 -0.43 0.28 0.09 0.00 0.00 178.44 178.68 1xm2 h SER 86 N 0.18 0.56 -0.36 -0.43 0.02 -1.03 -2.05 113.55 110.45 1xm2 h SER 86 Ca 0.03 -0.63 0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1xm2 h SER 86 Cb 0.48 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.77 1xm2 h SER 86 CO 0.03 1.10 -0.38 0.25 -1.14 0.00 0.00 176.83 176.69 1xm2 h LEU 87 N 0.06 -1.26 0.60 5.07 5.85 0.02 -1.96 115.31 123.69 1xm2 h LEU 87 Ca -0.02 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1xm2 h LEU 87 Cb 1.07 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1xm2 h LEU 87 CO 0.09 -0.36 -0.45 0.58 -0.34 0.00 0.00 178.44 177.96 1xm2 h VAL 88 N -0.32 0.09 -0.97 1.05 2.07 -1.12 -1.59 116.25 115.46 1xm2 h VAL 88 Ca 0.14 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.89 1xm2 h VAL 88 Cb 0.57 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 1xm2 h VAL 88 CO -0.53 0.00 0.64 0.50 0.02 0.00 0.00 177.57 178.20 1xm2 h LYS 89 N -1.02 0.41 0.01 1.57 3.64 -0.95 -2.87 116.57 117.36 1xm2 h LYS 89 Ca -0.07 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.03 1xm2 h LYS 89 Cb 0.86 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1xm2 h LYS 89 CO 0.02 0.27 -1.36 -0.89 -2.27 0.00 0.00 179.45 175.22 1xm2 n ILE 90 N -4.56 1.56 -0.34 2.00 5.41 -0.77 -3.98 119.36 118.68 1xm2 n ILE 90 Ca 0.22 -0.09 0.15 0.00 1.00 0.00 0.00 62.75 64.04 1xm2 n ILE 90 Cb 0.77 -2.01 0.37 0.00 -0.71 0.00 0.00 39.64 38.06 1xm2 n ILE 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1xm2 h LYS 91 N -0.91 0.64 0.00 0.38 1.63 -1.23 0.50 116.57 117.58 1xm2 h LYS 91 Ca -0.36 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1xm2 h LYS 91 Cb 1.38 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1xm2 h LYS 91 CO -0.19 0.42 0.00 0.74 -3.45 0.00 0.00 179.45 176.97 1xm2 h PHE 92 N 0.66 0.00 0.03 1.91 0.05 -1.70 0.10 116.94 117.99 1xm2 h PHE 92 Ca 0.58 0.00 -0.36 0.00 3.82 0.00 0.00 57.97 62.01 1xm2 h PHE 92 Cb 1.04 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 38.94 1xm2 h PHE 92 CO -0.00 0.00 -2.20 -2.13 -0.18 0.00 0.00 178.31 173.79 1xm2 n ARG 93 N -2.58 0.68 0.01 1.51 0.63 0.02 -3.66 116.66 113.28 1xm2 n ARG 93 Ca 0.04 0.16 -0.13 0.00 -0.92 0.00 0.00 57.85 57.00 1xm2 n ARG 93 Cb 0.39 -1.61 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 1xm2 n ARG 93 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1xm2 h GLU 94 N 0.01 -0.02 -2.39 -0.14 4.81 -0.04 -3.35 114.58 113.47 1xm2 h GLU 94 Ca -0.48 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.11 1xm2 h GLU 94 Cb 2.05 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 31.05 1xm2 h GLU 94 CO 0.02 0.27 -0.31 0.39 -0.73 0.00 0.00 179.01 178.65 1xm2 n GLU 95 N -4.96 2.89 -1.70 1.92 1.02 0.35 -5.07 120.64 115.09 1xm2 n GLU 95 Ca -0.08 -4.64 -0.57 0.00 -0.02 0.00 0.00 57.16 51.85 1xm2 n GLU 95 Cb 0.16 -2.31 -0.07 0.00 -0.02 0.00 0.00 31.44 29.20 1xm2 n GLU 95 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1xm2 n PRO 96 N 1.01 1.18 -0.17 3.49 -0.02 -1.24 -1.18 135.00 138.08 1xm2 n PRO 96 Ca 0.29 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1xm2 n PRO 96 Cb 0.39 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.02 0.60 0.46 -1.23 0.00 -1.26 -5.08 105.19 102.70 1xm2 n GLY 97 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 0.37 5.10 -0.08 0.00 1.01 -0.94 -3.09 121.20 123.57 1xm2 s ILE 100 Ca -0.02 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1xm2 s ILE 100 Cb -0.04 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1xm2 s ILE 100 CO -0.02 0.49 0.26 0.00 0.00 0.00 0.00 174.94 175.67 1xm2 s ALA 101 N 0.04 3.78 -0.06 9.38 0.00 -0.43 -1.90 121.76 132.57 1xm2 s ALA 101 Ca 0.08 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1xm2 s ALA 101 Cb -0.12 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1xm2 s ALA 101 CO 0.00 0.50 -0.08 0.08 0.00 0.00 0.00 175.76 176.26 1xm2 s VAL 102 N -0.86 0.84 -0.00 0.00 1.01 -0.53 -0.35 120.40 120.50 1xm2 s VAL 102 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1xm2 s VAL 102 Cb -0.14 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1xm2 s VAL 102 CO 0.07 0.30 0.00 -1.38 0.00 0.00 0.00 175.10 174.09 1xm2 s HIS 103 N 0.97 0.06 0.00 5.22 -3.43 -0.92 -2.25 115.29 114.94 1xm2 s HIS 103 Ca -0.10 0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 1xm2 s HIS 103 Cb -0.15 -0.08 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 1xm2 s HIS 103 CO 0.00 -0.02 0.00 -1.13 -2.00 0.00 0.00 174.74 171.59 1xm2 n SER 104 N 3.29 1.12 -0.05 7.38 3.41 -1.25 -2.75 113.62 124.78 1xm2 n SER 104 Ca -0.15 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.45 1xm2 n SER 104 Cb 0.58 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.90 -3.39 116.25 109.70 1xm2 h VAL 105 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 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 -1.24 0.00 0.02 0.00 0.00 177.57 176.35 1xm2 n ALA 106 N -2.87 4.27 -1.46 1.67 0.00 -1.26 -4.32 120.51 116.54 1xm2 n ALA 106 Ca -0.01 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 52.71 1xm2 n ALA 106 Cb 0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 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 1.44 1.32 0.27 0.00 0.00 -1.26 -4.87 105.19 102.09 1xm2 n GLY 107 Ca 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.59 1.45 0.00 0.99 4.77 -1.26 -4.61 117.00 116.75 1xm2 n LEU 108 Ca -0.14 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1xm2 n LEU 108 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1xm2 n LEU 108 CO 0.21 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1xm2 n GLY 109 N 0.61 0.15 0.30 -0.72 0.00 -1.26 -3.54 105.19 100.73 1xm2 n GLY 109 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 0.79 0.75 1.61 3.08 -1.93 -1.78 114.38 116.90 1xm2 h ARG 110 Ca 0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1xm2 h ARG 110 Cb 0.00 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 29.88 1xm2 h ARG 110 CO 0.00 0.52 -0.36 0.00 -1.07 0.00 0.00 179.97 179.06 1xm2 h ALA 111 N 1.43 -1.01 -0.49 0.04 0.00 -1.92 -2.97 119.26 114.34 1xm2 h ALA 111 Ca 0.38 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1xm2 h ALA 111 Cb 0.31 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1xm2 h ALA 111 CO -0.23 -0.99 0.34 -1.00 0.00 0.00 0.00 179.25 177.37 1xm2 h PRO 112 N -1.16 0.24 0.58 0.00 0.13 -1.79 -2.33 132.00 127.66 1xm2 h PRO 112 Ca -0.10 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1xm2 h PRO 112 Cb 0.79 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1xm2 h PRO 112 CO 0.17 0.16 -0.33 0.28 -0.23 0.00 0.00 178.00 178.05 1xm2 h VAL 113 N 0.25 0.33 -0.90 1.56 2.07 -1.26 0.31 116.25 118.61 1xm2 h VAL 113 Ca 0.23 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1xm2 h VAL 113 Cb 0.57 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1xm2 h VAL 113 CO -0.04 0.00 0.58 -0.07 0.02 0.00 0.00 177.57 178.06 1xm2 h LEU 114 N -0.85 0.83 -0.67 2.57 3.38 -1.29 0.11 115.31 119.40 1xm2 h LEU 114 Ca -0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1xm2 h LEU 114 Cb 0.67 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1xm2 h LEU 114 CO 0.10 0.50 0.32 0.58 0.09 0.00 0.00 178.44 180.02 1xm2 h VAL 115 N 0.93 1.23 0.31 1.22 2.07 -0.97 -2.39 116.25 118.65 1xm2 h VAL 115 Ca 0.41 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xm2 h VAL 115 Cb 0.36 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1xm2 h VAL 115 CO -0.17 0.27 -0.15 0.00 0.02 0.00 0.00 177.57 177.54 1xm2 h ALA 116 N 1.14 -0.42 -1.08 1.67 0.00 0.20 -2.31 119.26 118.47 1xm2 h ALA 116 Ca 0.23 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.28 1xm2 h ALA 116 Cb 0.13 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1xm2 h ALA 116 CO -0.03 -0.64 0.72 -0.07 0.00 0.00 0.00 179.25 179.23 1xm2 h LEU 117 N -0.61 0.33 -0.10 0.00 3.38 -0.88 0.25 115.31 117.68 1xm2 h LEU 117 Ca -0.04 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xm2 h LEU 117 Cb 0.44 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xm2 h LEU 117 CO 0.07 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.64 1xm2 h ALA 118 N 1.57 0.13 -0.67 1.53 0.00 -1.11 -0.68 119.26 120.04 1xm2 h ALA 118 Ca 0.59 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1xm2 h ALA 118 Cb 1.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1xm2 h ALA 118 CO -0.23 -0.17 0.26 -0.07 0.00 0.00 0.00 179.25 179.05 1xm2 h LEU 119 N -0.11 0.90 0.20 0.00 3.38 -0.22 -0.29 115.31 119.18 1xm2 h LEU 119 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xm2 h LEU 119 Cb 0.38 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xm2 h LEU 119 CO 0.01 0.81 -0.10 0.40 0.09 0.00 0.00 178.44 179.65 1xm2 h ILE 120 N 0.97 0.84 0.00 1.22 2.04 -0.49 -0.45 117.51 121.64 1xm2 h ILE 120 Ca 0.23 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1xm2 h ILE 120 Cb 0.19 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1xm2 h ILE 120 CO -0.02 0.04 -0.05 -0.33 0.00 0.00 0.00 178.15 177.79 1xm2 h GLU 121 N -0.35 0.00 0.00 2.37 4.39 -0.95 0.11 114.58 120.15 1xm2 h GLU 121 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xm2 h GLU 121 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1xm2 h GLU 121 CO 0.04 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.35 1xm2 n GLY 122 N -1.13 -1.22 0.00 -3.84 0.00 -0.13 -5.09 105.19 93.78 1xm2 n GLY 122 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.19 0.32 3.24 -0.02 0.00 0.36 -5.05 105.19 103.85 1xm2 n GLY 123 Ca 0.02 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 1.22 0.43 1.61 3.01 -1.26 -5.01 119.74 119.74 1xm2 s LYS 125 Ca 0.00 -0.97 0.21 0.00 -1.01 0.00 0.00 55.97 54.20 1xm2 s LYS 125 Cb 0.00 -1.35 1.17 0.00 -1.01 0.00 0.00 37.83 36.64 1xm2 s LYS 125 CO 0.00 0.33 1.81 0.10 0.51 0.00 0.00 175.35 178.10 1xm2 h TYR 126 N 4.65 0.51 -0.56 3.18 -0.00 -1.96 0.34 116.97 123.13 1xm2 h TYR 126 Ca -0.43 0.02 -0.08 0.00 0.00 0.00 0.00 58.73 58.24 1xm2 h TYR 126 Cb 1.17 -0.15 -0.02 0.00 0.00 0.00 0.00 36.73 37.73 1xm2 h TYR 126 CO 0.54 0.08 0.03 0.93 -0.00 0.00 0.00 178.16 179.74 1xm2 h GLU 127 N 0.33 0.95 -0.56 0.10 5.08 -2.00 -0.64 114.58 117.84 1xm2 h GLU 127 Ca 0.54 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1xm2 h GLU 127 Cb 1.50 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1xm2 h GLU 127 CO -0.21 0.91 0.06 -0.44 -1.00 0.00 0.00 179.01 178.34 1xm2 h ASP 128 N 0.88 0.87 -0.11 1.42 3.32 -0.81 -2.04 116.42 119.94 1xm2 h ASP 128 Ca 0.17 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1xm2 h ASP 128 Cb 0.47 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1xm2 h ASP 128 CO 0.02 0.90 -0.35 0.00 -1.72 0.00 0.00 179.24 178.08 1xm2 h ALA 129 N 1.21 0.86 -0.28 3.45 0.00 -0.73 -1.44 119.26 122.32 1xm2 h ALA 129 Ca 0.17 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1xm2 h ALA 129 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xm2 h ALA 129 CO 0.01 0.64 -0.56 0.28 0.00 0.00 0.00 179.25 179.62 1xm2 h VAL 130 N 0.52 1.28 0.25 0.00 2.07 -0.88 -2.67 116.25 116.81 1xm2 h VAL 130 Ca 0.05 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1xm2 h VAL 130 Cb 0.85 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1xm2 h VAL 130 CO 0.07 0.57 -0.12 1.56 0.02 0.00 0.00 177.57 179.67 1xm2 h GLN 131 N 0.65 -0.32 -0.82 1.57 1.08 -1.34 -0.72 115.11 115.21 1xm2 h GLN 131 Ca 0.01 0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.43 1xm2 h GLN 131 Cb 1.17 0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 28.53 1xm2 h GLN 131 CO 0.12 -0.04 0.05 0.35 -0.95 0.00 0.00 178.83 178.36 1xm2 h PHE 132 N -0.59 0.02 -0.11 2.96 3.57 -1.28 0.04 116.94 121.54 1xm2 h PHE 132 Ca -0.03 0.06 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1xm2 h PHE 132 Cb 0.43 0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.30 1xm2 h PHE 132 CO 0.01 -0.26 -0.71 0.82 -2.23 0.00 0.00 178.31 175.94 1xm2 h ILE 133 N 0.11 1.31 -0.19 1.41 2.04 -1.38 -3.23 117.51 117.59 1xm2 h ILE 133 Ca 0.47 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 1xm2 h ILE 133 Cb 0.87 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1xm2 h ILE 133 CO -0.71 0.61 0.04 0.03 0.00 0.00 0.00 178.15 178.12 1xm2 h ARG 134 N 0.36 0.27 -0.30 2.37 3.08 0.32 0.14 114.38 120.61 1xm2 h ARG 134 Ca -0.06 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.05 1xm2 h ARG 134 Cb 1.35 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1xm2 h ARG 134 CO 0.14 0.26 0.27 0.37 -1.07 0.00 0.00 179.97 179.94 1xm2 h GLN 135 N 0.27 0.00 0.00 0.04 5.75 -1.07 -2.29 115.11 117.81 1xm2 h GLN 135 Ca 0.07 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.30 1xm2 h GLN 135 Cb 0.12 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.62 1xm2 h GLN 135 CO -0.00 0.00 -2.08 1.63 -2.65 0.00 0.00 178.83 175.73 1xm2 n LYS 136 N -4.03 1.28 -3.76 1.69 4.01 -0.25 -4.86 118.16 112.24 1xm2 n LYS 136 Ca 0.04 -0.02 -0.30 0.00 -0.51 0.00 0.00 58.31 57.53 1xm2 n LYS 136 Cb 0.43 -1.42 -0.15 0.00 -0.51 0.00 0.00 35.03 33.38 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 -2.47 0.80 0.05 1.97 6.06 0.31 -4.93 118.95 120.74 1xm2 s ARG 137 Ca -0.08 -1.03 -0.09 0.00 -2.50 0.00 0.00 55.73 52.03 1xm2 s ARG 137 Cb 0.05 -2.10 -0.02 0.00 0.06 0.00 0.00 34.95 32.95 1xm2 s ARG 137 CO 0.67 -0.92 1.16 0.00 -2.50 0.00 0.00 175.30 173.71 1xm2 h ARG 138 N 8.08 -0.00 -1.50 5.12 3.08 -1.80 -2.80 114.38 124.54 1xm2 h ARG 138 Ca -0.14 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.39 1xm2 h ARG 138 Cb 1.03 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.87 1xm2 h ARG 138 CO 0.45 -0.00 0.64 0.41 -1.07 0.00 0.00 179.97 180.40 1xm2 n GLY 139 N -1.08 4.89 0.34 0.04 0.00 -1.26 -4.76 105.19 103.36 1xm2 n GLY 139 Ca 0.01 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.41 1xm2 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm2 h ALA 140 N 2.11 1.35 -2.60 4.61 0.00 -1.72 -3.45 119.26 119.56 1xm2 h ALA 140 Ca 0.45 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 1xm2 h ALA 140 Cb 0.73 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.35 1xm2 h ALA 140 CO 1.13 -0.23 -0.62 -0.06 0.00 0.00 0.00 179.25 179.48 1xm2 s PHE 141 N -4.24 0.31 0.48 0.00 0.40 -1.23 -4.03 117.98 109.67 1xm2 s PHE 141 Ca -0.04 -0.67 0.06 0.00 -0.60 0.00 0.00 56.93 55.67 1xm2 s PHE 141 Cb 0.12 -0.23 -0.00 0.00 0.51 0.00 0.00 43.02 43.42 1xm2 s PHE 141 CO 0.38 -0.32 0.31 0.54 0.70 0.00 0.00 175.22 176.83 1xm2 s ASN 142 N -2.17 4.62 0.10 1.36 2.20 -1.26 -4.96 114.94 114.83 1xm2 s ASN 142 Ca -0.05 -1.13 -0.27 0.00 -0.94 0.00 0.00 52.86 50.47 1xm2 s ASN 142 Cb -0.01 -0.03 -0.10 0.00 -2.00 0.00 0.00 41.25 39.11 1xm2 s ASN 142 CO -0.05 -0.84 1.45 0.28 -2.94 0.00 0.00 177.10 174.99 1xm2 h SER 143 N 1.04 -1.44 -0.61 3.54 0.02 -2.01 -0.89 113.55 113.20 1xm2 h SER 143 Ca -0.40 0.18 0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1xm2 h SER 143 Cb 1.28 0.57 -0.10 0.00 0.14 0.00 0.00 62.40 64.30 1xm2 h SER 143 CO 0.62 -0.37 0.06 0.11 -1.14 0.00 0.00 176.83 176.11 1xm2 h LYS 144 N -0.42 0.17 -0.56 3.45 1.57 -1.97 -1.70 116.57 117.11 1xm2 h LYS 144 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xm2 h LYS 144 Cb 0.53 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1xm2 h LYS 144 CO -0.40 0.11 0.36 1.96 -0.57 0.00 0.00 179.45 180.92 1xm2 h GLN 145 N 0.18 0.74 0.32 3.15 4.20 -1.74 0.29 115.11 122.25 1xm2 h GLN 145 Ca 0.32 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1xm2 h GLN 145 Cb 0.51 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1xm2 h GLN 145 CO -0.47 0.51 -0.24 -0.07 -0.67 0.00 0.00 178.83 177.88 1xm2 h LEU 146 N 0.76 -0.63 -1.02 1.46 3.38 -0.32 -0.36 115.31 118.57 1xm2 h LEU 146 Ca 0.20 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1xm2 h LEU 146 Cb -0.07 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1xm2 h LEU 146 CO -0.04 -0.37 0.64 -0.07 0.09 0.00 0.00 178.44 178.68 1xm2 h LEU 147 N -0.57 0.98 -0.19 1.67 4.07 -1.19 0.29 115.31 120.36 1xm2 h LEU 147 Ca -0.02 0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.97 1xm2 h LEU 147 Cb 0.49 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1xm2 h LEU 147 CO -0.01 0.57 0.11 0.22 -1.08 0.00 0.00 178.44 178.25 1xm2 h TYR 148 N 1.07 0.21 0.00 1.13 3.20 -0.31 -1.16 116.97 121.11 1xm2 h TYR 148 Ca 0.47 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.29 1xm2 h TYR 148 Cb 0.35 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1xm2 h TYR 148 CO -0.00 0.13 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.32 1xm2 h LEU 149 N 0.23 0.00 -0.52 2.82 3.38 -0.46 -2.21 115.31 118.55 1xm2 h LEU 149 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1xm2 h LEU 149 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xm2 h LEU 149 CO -0.03 0.25 -0.21 -0.08 0.09 0.00 0.00 178.44 178.46 1xm2 h GLU 150 N 0.00 0.98 0.00 1.13 4.81 -0.24 -3.18 114.58 118.08 1xm2 h GLU 150 Ca -0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1xm2 h GLU 150 Cb 0.68 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1xm2 h GLU 150 CO 0.03 1.09 -0.51 0.87 -0.73 0.00 0.00 179.01 179.76 1xm2 h LYS 151 N 0.85 0.00 -6.80 1.92 1.57 -0.93 -3.48 116.57 109.71 1xm2 h LYS 151 Ca 0.11 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.35 1xm2 h LYS 151 Cb 0.79 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.19 1xm2 h LYS 151 CO 0.07 0.00 0.82 0.98 -0.57 0.00 0.00 179.45 180.74 1xm2 n TYR 152 N -2.33 2.78 -4.06 -1.35 9.36 -0.86 -5.01 117.16 115.69 1xm2 n TYR 152 Ca 0.03 0.32 -0.33 0.00 3.32 0.00 0.00 57.90 61.24 1xm2 n TYR 152 Cb 0.47 -2.56 -0.15 0.00 -0.63 0.00 0.00 39.34 36.46 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 -0.86 3.02 -0.58 2.98 0.52 -1.26 -5.04 118.95 117.74 1xm2 s ARG 153 Ca 0.62 -0.82 -0.27 0.00 -0.52 0.00 0.00 55.73 54.74 1xm2 s ARG 153 Cb -0.51 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1xm2 s ARG 153 CO 0.52 -0.24 1.60 -1.25 0.02 0.00 0.00 175.30 175.95 1xm2 s PRO 154 N 1.32 3.04 0.00 3.54 0.04 -1.26 -5.17 135.00 136.51 1xm2 s PRO 154 Ca 0.04 0.51 0.23 0.00 0.04 0.00 0.00 61.00 61.81 1xm2 s PRO 154 Cb -0.14 -4.24 1.35 0.00 0.04 0.00 0.00 34.50 31.51 1xm2 s PRO 154 CO -0.10 -2.25 1.72 1.17 0.04 0.00 0.00 177.00 177.58