#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 1.83 -1.94 0.00 -0.04 -1.26 -4.56 135.00 129.03 1xm2 n PRO 9 Ca 0.00 -1.39 -0.43 0.00 -0.04 0.00 0.00 63.50 61.64 1xm2 n PRO 9 Cb 0.00 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 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 -1.40 3.40 -0.04 0.52 1.01 -1.25 -4.95 120.40 117.70 1xm2 s VAL 10 Ca 0.37 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.83 1xm2 s VAL 10 Cb 0.24 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1xm2 s VAL 10 CO -0.06 -0.35 -0.23 -0.70 0.00 0.00 0.00 175.10 173.76 1xm2 s GLU 11 N 5.77 2.11 -0.08 2.72 2.12 -1.26 -1.00 118.70 129.08 1xm2 s GLU 11 Ca 0.83 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 55.36 1xm2 s GLU 11 Cb -0.24 -1.92 0.01 0.00 0.26 0.00 0.00 34.13 32.24 1xm2 s GLU 11 CO 0.34 0.43 -0.17 0.08 -0.54 0.00 0.00 175.26 175.39 1xm2 s VAL 12 N -0.34 1.54 -0.02 3.70 1.01 -0.36 -4.97 120.40 120.96 1xm2 s VAL 12 Ca 0.03 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1xm2 s VAL 12 Cb -0.11 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1xm2 s VAL 12 CO 0.01 0.44 -0.21 -0.89 0.00 0.00 0.00 175.10 174.45 1xm2 s THR 13 N 0.47 1.69 0.00 3.92 2.01 -1.26 -0.74 115.64 121.73 1xm2 s THR 13 Ca -0.15 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 60.93 1xm2 s THR 13 Cb -0.16 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1xm2 s THR 13 CO 0.06 0.48 0.00 0.00 -0.69 0.00 0.00 174.62 174.46 1xm2 n TYR 14 N 2.55 0.00 -0.07 4.92 9.36 -1.26 -5.01 117.16 127.65 1xm2 n TYR 14 Ca -0.15 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 60.95 1xm2 n TYR 14 Cb 0.53 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.18 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 0.33 -2.51 2.98 5.02 -1.26 -4.69 118.16 118.03 1xm2 n LYS 15 Ca 0.00 0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 1xm2 n LYS 15 Cb 0.00 -1.18 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 -3.19 6.25 0.00 4.39 2.04 -1.26 -5.14 115.26 118.35 1xm2 n ASN 16 Ca -0.26 -3.73 0.00 0.00 -0.44 0.00 0.00 54.58 50.15 1xm2 n ASN 16 Cb 0.74 -0.87 0.00 0.00 -2.53 0.00 0.00 39.78 37.12 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 -4.18 -3.83 0.63 -1.26 -4.65 116.66 103.08 1xm2 n ARG 18 Ca 0.43 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 57.10 1xm2 n ARG 18 Cb 0.35 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.19 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 2.91 -0.15 -0.14 0.40 0.08 -1.82 117.98 119.26 1xm2 s PHE 19 Ca 0.00 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1xm2 s PHE 19 Cb 0.00 -1.41 0.02 0.00 0.51 0.00 0.00 43.02 42.14 1xm2 s PHE 19 CO 0.00 0.52 -0.14 -1.17 0.70 0.00 0.00 175.22 175.12 1xm2 s LEU 20 N -2.93 1.70 -0.29 -0.37 2.96 -0.88 -1.22 118.68 117.64 1xm2 s LEU 20 Ca 0.28 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.60 1xm2 s LEU 20 Cb -0.10 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 1xm2 s LEU 20 CO 0.19 -0.05 0.16 -0.63 -1.32 0.00 0.00 176.35 174.71 1xm2 s ILE 21 N 1.45 4.87 0.33 6.68 1.01 -0.17 -0.84 121.20 134.53 1xm2 s ILE 21 Ca 0.04 -0.16 0.10 0.00 0.00 0.00 0.00 60.65 60.64 1xm2 s ILE 21 Cb -0.13 -3.40 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1xm2 s ILE 21 CO -0.10 0.16 -0.09 0.42 0.00 0.00 0.00 174.94 175.33 1xm2 s THR 22 N 1.68 2.44 0.00 2.92 -4.23 -1.08 -3.89 115.64 113.47 1xm2 s THR 22 Ca 0.06 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1xm2 s THR 22 Cb -0.16 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1xm2 s THR 22 CO 0.08 -0.25 0.00 1.41 -0.54 0.00 0.00 174.62 175.32 1xm2 n HIS 23 N -0.80 -3.93 -3.35 3.99 8.25 -1.26 -3.55 115.22 114.57 1xm2 n HIS 23 Ca -0.05 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.97 1xm2 n HIS 23 Cb 0.62 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.01 6.16 0.00 0.41 2.47 -1.17 -4.63 114.94 117.17 1xm2 s ASN 24 Ca 0.00 -1.10 0.00 0.00 0.42 0.00 0.00 52.86 52.18 1xm2 s ASN 24 Cb 0.00 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.60 1xm2 s ASN 24 CO 0.00 -0.65 0.00 -0.81 -3.72 0.00 0.00 177.10 171.92 1xm2 n PRO 25 N 5.42 1.14 0.00 0.43 -0.04 -1.26 -5.08 135.00 135.61 1xm2 n PRO 25 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1xm2 n PRO 25 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.03 0.55 0.00 -1.26 -4.73 120.51 110.05 1xm2 n ALA 28 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1xm2 n ALA 28 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 3.17 -0.10 0.00 -2.24 -1.26 -4.57 114.28 109.29 1xm2 n THR 29 Ca 0.00 -4.33 -0.18 0.00 -2.27 0.00 0.00 64.05 57.27 1xm2 n THR 29 Cb 0.00 -1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 66.92 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 -0.57 2.09 -0.33 3.22 7.94 -1.26 -3.97 117.00 124.12 1xm2 n LEU 30 Ca 0.50 0.10 0.12 0.00 -1.11 0.00 0.00 56.01 55.62 1xm2 n LEU 30 Cb 0.45 -0.62 0.25 0.00 0.53 0.00 0.00 43.42 44.03 1xm2 n LEU 30 CO 0.48 0.59 0.79 0.78 -1.11 0.00 0.00 177.39 178.92 1xm2 h ASN 31 N -0.41 -0.52 0.40 1.96 2.35 -2.01 0.94 115.58 118.29 1xm2 h ASN 31 Ca -0.47 0.27 -0.16 0.00 -0.55 0.00 0.00 56.30 55.39 1xm2 h ASN 31 Cb 1.54 0.49 -0.01 0.00 0.05 0.00 0.00 38.32 40.38 1xm2 h ASN 31 CO -0.21 -0.33 -0.67 0.11 -1.65 0.00 0.00 177.43 174.69 1xm2 h LYS 32 N 0.02 0.24 -0.48 0.81 1.57 -1.91 -2.66 116.57 114.16 1xm2 h LYS 32 Ca 0.56 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1xm2 h LYS 32 Cb 1.10 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1xm2 h LYS 32 CO -0.90 0.82 -0.00 0.35 -0.57 0.00 0.00 179.45 179.15 1xm2 h PHE 33 N 0.17 0.85 -0.22 -1.35 3.57 0.63 -2.51 116.94 118.09 1xm2 h PHE 33 Ca -0.02 -0.12 -0.16 0.00 3.53 0.00 0.00 57.97 61.21 1xm2 h PHE 33 Cb 1.21 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1xm2 h PHE 33 CO 0.02 0.79 -0.48 0.82 -2.23 0.00 0.00 178.31 177.23 1xm2 h ILE 34 N 0.75 1.31 -0.69 1.41 2.04 -0.71 -2.39 117.51 119.23 1xm2 h ILE 34 Ca 0.15 -1.70 0.06 0.00 1.00 0.00 0.00 64.86 64.37 1xm2 h ILE 34 Cb 0.45 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 1xm2 h ILE 34 CO 0.02 0.53 0.39 -0.33 0.00 0.00 0.00 178.15 178.77 1xm2 h GLU 35 N 0.42 0.70 -0.38 2.37 5.08 -1.29 -1.27 114.58 120.21 1xm2 h GLU 35 Ca 0.00 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1xm2 h GLU 35 Cb 1.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1xm2 h GLU 35 CO 0.11 0.46 -0.25 0.93 -1.00 0.00 0.00 179.01 179.26 1xm2 h GLU 36 N 0.72 0.77 0.06 2.33 4.39 -1.46 -2.36 114.58 119.03 1xm2 h GLU 36 Ca 0.31 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1xm2 h GLU 36 Cb 0.19 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1xm2 h GLU 36 CO -0.18 0.94 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.51 1xm2 h LEU 37 N 0.67 -0.07 -1.38 1.33 3.38 -0.78 -1.83 115.31 116.63 1xm2 h LEU 37 Ca 0.09 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1xm2 h LEU 37 Cb 0.77 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1xm2 h LEU 37 CO 0.06 -0.05 0.44 0.11 0.09 0.00 0.00 178.44 179.09 1xm2 h LYS 38 N -0.08 0.81 -0.08 1.13 1.57 -1.23 -0.90 116.57 117.79 1xm2 h LYS 38 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1xm2 h LYS 38 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1xm2 h LYS 38 CO 0.01 0.54 -0.21 0.87 -0.57 0.00 0.00 179.45 180.09 1xm2 h LYS 39 N 0.83 0.14 -0.19 3.15 1.57 -0.90 -1.44 116.57 119.73 1xm2 h LYS 39 Ca 0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1xm2 h LYS 39 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1xm2 h LYS 39 CO -0.06 0.35 0.00 0.66 -0.57 0.00 0.00 179.45 179.83 1xm2 n TYR 40 N -4.23 0.25 -2.79 -1.35 4.02 -0.40 -4.91 117.16 107.75 1xm2 n TYR 40 Ca -0.01 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.90 57.62 1xm2 n TYR 40 Cb 0.31 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.65 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 1.00 -0.01 3.69 2.72 0.00 -0.54 -4.66 105.19 107.39 1xm2 n GLY 41 Ca 0.13 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.96 4.83 -0.18 1.61 1.01 -0.85 -2.02 120.40 121.84 1xm2 s VAL 42 Ca 0.21 1.97 0.18 0.00 0.00 0.00 0.00 61.98 64.34 1xm2 s VAL 42 Cb -0.09 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.76 1xm2 s VAL 42 CO 0.26 0.05 0.10 1.07 0.00 0.00 0.00 175.10 176.59 1xm2 n THR 43 N 4.40 1.21 -3.80 3.92 5.66 -0.85 -4.70 114.28 120.12 1xm2 n THR 43 Ca 0.07 -0.80 -0.12 0.00 -3.05 0.00 0.00 64.05 60.15 1xm2 n THR 43 Cb 0.49 -0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 68.74 1xm2 n THR 43 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xm2 s THR 44 N -2.57 0.04 -0.07 1.09 -4.23 -1.26 -2.12 115.64 106.53 1xm2 s THR 44 Ca -0.09 -0.34 0.05 0.00 -1.18 0.00 0.00 61.69 60.12 1xm2 s THR 44 Cb 0.07 -0.46 -0.00 0.00 1.34 0.00 0.00 72.50 73.44 1xm2 s THR 44 CO 0.81 -0.19 -0.22 -0.51 -0.54 0.00 0.00 174.62 173.97 1xm2 s ILE 45 N -0.75 1.82 -0.32 2.99 2.07 0.34 -1.12 121.20 126.23 1xm2 s ILE 45 Ca -0.08 -0.91 -0.08 0.00 -1.41 0.00 0.00 60.65 58.16 1xm2 s ILE 45 Cb -0.05 -1.56 0.01 0.00 0.13 0.00 0.00 42.46 40.99 1xm2 s ILE 45 CO 0.02 0.51 0.13 -0.69 -1.91 0.00 0.00 174.94 173.00 1xm2 s VAL 46 N 0.14 4.28 -0.31 4.00 1.01 0.14 -1.51 120.40 128.14 1xm2 s VAL 46 Ca -0.10 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1xm2 s VAL 46 Cb -0.15 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1xm2 s VAL 46 CO 0.05 0.00 0.68 -0.60 0.00 0.00 0.00 175.10 175.24 1xm2 s ARG 47 N 1.54 3.91 0.00 2.72 3.52 0.38 -2.10 118.95 128.92 1xm2 s ARG 47 Ca 0.03 0.38 0.19 0.00 -0.13 0.00 0.00 55.73 56.20 1xm2 s ARG 47 Cb -0.18 -3.73 0.13 0.00 -1.56 0.00 0.00 34.95 29.61 1xm2 s ARG 47 CO 0.04 -0.62 1.09 1.33 -0.81 0.00 0.00 175.30 176.34 1xm2 n VAL 48 N 5.46 0.00 -2.81 7.11 0.24 -0.93 -1.21 118.33 126.18 1xm2 n VAL 48 Ca 0.01 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1xm2 n VAL 48 Cb 0.49 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 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 1.27 4.47 0.20 0.00 -1.05 -1.26 -4.45 118.70 117.89 1xm2 s GLU 50 Ca 0.00 1.49 -0.32 0.00 -0.15 0.00 0.00 54.97 55.99 1xm2 s GLU 50 Cb 0.00 -2.82 -0.12 0.00 -0.44 0.00 0.00 34.13 30.76 1xm2 s GLU 50 CO 0.00 0.14 1.69 0.00 0.95 0.00 0.00 175.26 178.04 1xm2 s ALA 51 N -1.51 3.91 0.00 -0.84 0.00 -1.26 -4.81 121.76 117.24 1xm2 s ALA 51 Ca 0.51 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1xm2 s ALA 51 Cb -0.23 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1xm2 s ALA 51 CO 0.29 -0.90 0.31 0.25 0.00 0.00 0.00 175.76 175.71 1xm2 n THR 52 N 3.91 0.04 -3.47 0.00 -2.24 -1.26 -5.09 114.28 106.16 1xm2 n THR 52 Ca 0.15 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1xm2 n THR 52 Cb 0.36 1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.96 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 -0.04 -0.44 -0.27 4.78 -0.85 -1.26 -5.03 117.35 114.23 1xm2 s TYR 53 Ca 0.00 0.32 -0.29 0.00 -0.52 0.00 0.00 57.07 56.58 1xm2 s TYR 53 Cb 0.00 0.54 0.01 0.00 0.38 0.00 0.00 41.96 42.89 1xm2 s TYR 53 CO 0.00 -0.67 1.06 0.34 -1.52 0.00 0.00 175.55 174.76 1xm2 s ASP 54 N -2.48 7.02 0.33 -0.18 3.68 -1.26 -4.92 116.67 118.87 1xm2 s ASP 54 Ca 0.02 1.23 0.26 0.00 2.13 0.00 0.00 52.55 56.19 1xm2 s ASP 54 Cb -0.01 -2.54 0.87 0.00 -1.45 0.00 0.00 42.92 39.79 1xm2 s ASP 54 CO -0.09 -0.77 1.77 0.71 0.13 0.00 0.00 175.17 176.91 1xm2 h THR 55 N 5.58 0.00 0.00 1.71 1.35 -2.02 -3.17 112.91 116.36 1xm2 h THR 55 Ca -0.20 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 1xm2 h THR 55 Cb 1.06 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1xm2 h THR 55 CO 1.00 0.00 -0.09 0.71 -0.25 0.00 0.00 175.52 176.89 1xm2 h THR 56 N 0.00 0.62 -0.37 6.82 1.35 -1.99 -1.60 112.91 117.75 1xm2 h THR 56 Ca 0.00 -0.39 -0.14 0.00 -0.55 0.00 0.00 66.41 65.32 1xm2 h THR 56 Cb 0.64 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1xm2 h THR 56 CO 0.00 0.09 -0.35 -0.07 -0.25 0.00 0.00 175.52 174.94 1xm2 h LEU 57 N 0.00 0.89 0.14 3.87 3.38 -1.98 -0.53 115.31 121.08 1xm2 h LEU 57 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xm2 h LEU 57 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xm2 h LEU 57 CO 0.01 1.14 -0.07 0.58 0.09 0.00 0.00 178.44 180.20 1xm2 h VAL 58 N 0.70 0.99 -0.48 1.22 2.07 -1.50 -2.75 116.25 116.50 1xm2 h VAL 58 Ca 0.07 -0.61 0.09 0.00 0.82 0.00 0.00 66.70 67.06 1xm2 h VAL 58 Cb 0.91 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1xm2 h VAL 58 CO 0.08 0.14 0.33 -0.33 0.02 0.00 0.00 177.57 177.81 1xm2 h GLU 59 N -0.49 0.24 -0.45 1.57 5.08 -1.35 0.20 114.58 119.39 1xm2 h GLU 59 Ca -0.02 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xm2 h GLU 59 Cb 0.38 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1xm2 h GLU 59 CO 0.03 0.16 0.30 -0.22 -1.00 0.00 0.00 179.01 178.28 1xm2 h LYS 60 N 0.25 0.54 -0.00 2.33 3.64 -0.79 -1.72 116.57 120.82 1xm2 h LYS 60 Ca 0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xm2 h LYS 60 Cb 0.54 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1xm2 h LYS 60 CO -0.04 0.36 -0.07 0.39 -2.27 0.00 0.00 179.45 177.81 1xm2 n GLU 61 N -4.47 0.53 0.00 1.90 -0.58 0.05 -4.90 120.64 113.17 1xm2 n GLU 61 Ca 0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1xm2 n GLU 61 Cb 0.10 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 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 1.30 0.91 3.63 0.62 0.00 -0.65 -5.09 105.19 105.91 1xm2 n GLY 62 Ca 0.14 0.00 -0.36 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 5.00 0.26 -0.61 1.01 -1.19 -4.97 121.20 118.70 1xm2 s ILE 63 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1xm2 s ILE 63 Cb 0.00 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 1xm2 s ILE 63 CO 0.00 0.40 0.96 -1.00 0.00 0.00 0.00 174.94 175.30 1xm2 s HIS 64 N 0.82 3.88 -0.04 3.97 3.76 -0.90 -3.19 115.29 123.58 1xm2 s HIS 64 Ca 0.06 1.86 0.06 0.00 -0.15 0.00 0.00 55.06 56.89 1xm2 s HIS 64 Cb -0.13 -3.02 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 1xm2 s HIS 64 CO 0.02 0.27 -0.23 0.08 -0.85 0.00 0.00 174.74 174.03 1xm2 s VAL 65 N -1.25 2.28 -0.07 -0.90 1.01 -1.26 -0.51 120.40 119.70 1xm2 s VAL 65 Ca 0.43 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1xm2 s VAL 65 Cb -0.26 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1xm2 s VAL 65 CO 0.32 0.58 -0.16 -0.76 0.00 0.00 0.00 175.10 175.07 1xm2 s LEU 66 N -0.45 1.82 -0.64 3.92 1.43 -0.57 -4.97 118.68 119.21 1xm2 s LEU 66 Ca 0.05 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1xm2 s LEU 66 Cb -0.12 -1.00 0.16 0.00 0.03 0.00 0.00 46.19 45.27 1xm2 s LEU 66 CO 0.01 0.09 0.46 -0.62 0.23 0.00 0.00 176.35 176.52 1xm2 s ASP 67 N 0.43 5.21 -0.74 2.29 -1.08 -1.26 -0.47 116.67 121.05 1xm2 s ASP 67 Ca -0.13 -2.97 0.04 0.00 -0.52 0.00 0.00 52.55 48.96 1xm2 s ASP 67 Cb -0.15 -1.84 0.25 0.00 -1.46 0.00 0.00 42.92 39.72 1xm2 s ASP 67 CO 0.05 -0.33 0.84 0.79 0.52 0.00 0.00 175.17 177.04 1xm2 n TRP 68 N 3.31 3.44 -2.44 -5.34 8.01 -0.35 -4.98 117.44 119.10 1xm2 n TRP 68 Ca 0.09 -3.92 -0.41 0.00 -1.31 0.00 0.00 57.50 51.96 1xm2 n TRP 68 Cb 0.37 -0.73 -0.04 0.00 -2.01 0.00 0.00 31.31 28.90 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 -2.33 4.59 0.03 -0.99 0.02 -1.24 -4.45 135.00 130.63 1xm2 s PRO 69 Ca 0.36 1.83 -0.00 0.00 0.02 0.00 0.00 61.00 63.21 1xm2 s PRO 69 Cb 0.09 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 1xm2 s PRO 69 CO -0.02 0.11 -0.02 -0.59 -0.33 0.00 0.00 177.00 176.15 1xm2 s PHE 70 N -0.84 0.31 0.26 6.54 -0.00 -0.92 -4.97 117.98 118.36 1xm2 s PHE 70 Ca 0.47 -0.64 -0.29 0.00 -0.00 0.00 0.00 56.93 56.47 1xm2 s PHE 70 Cb -0.32 -0.23 -0.14 0.00 -0.00 0.00 0.00 43.02 42.33 1xm2 s PHE 70 CO 0.40 -0.24 1.08 -0.25 -0.00 0.00 0.00 175.22 176.22 1xm2 n ASP 71 N 1.26 1.46 -4.76 1.98 10.43 -1.26 -4.79 116.55 120.87 1xm2 n ASP 71 Ca -0.22 1.17 -0.41 0.00 2.57 0.00 0.00 54.79 57.90 1xm2 n ASP 71 Cb 0.56 -1.29 -0.01 0.00 1.84 0.00 0.00 41.12 42.22 1xm2 n ASP 71 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1xm2 s ASP 72 N -0.36 6.35 0.00 -2.24 -1.08 -1.26 -2.45 116.67 115.63 1xm2 s ASP 72 Ca 0.62 2.99 0.00 0.00 -0.52 0.00 0.00 52.55 55.65 1xm2 s ASP 72 Cb -0.73 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.09 1xm2 s ASP 72 CO 0.57 -0.91 0.00 0.61 0.52 0.00 0.00 175.17 175.97 1xm2 n GLY 73 N 1.61 1.14 3.77 2.66 0.00 -1.26 -4.95 105.19 108.15 1xm2 n GLY 73 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 3.11 0.45 4.61 0.00 -1.03 -4.69 121.76 124.22 1xm2 s ALA 74 Ca 0.00 0.99 -0.23 0.00 0.00 0.00 0.00 51.96 52.72 1xm2 s ALA 74 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1xm2 s ALA 74 CO 0.00 -0.61 1.17 -2.14 0.00 0.00 0.00 175.76 174.18 1xm2 s PRO 75 N -2.41 3.81 0.42 0.00 0.02 -1.26 -4.72 135.00 130.86 1xm2 s PRO 75 Ca 0.59 1.78 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 1xm2 s PRO 75 Cb -0.31 -2.45 -0.09 0.00 0.02 0.00 0.00 34.50 31.67 1xm2 s PRO 75 CO 0.39 -0.51 1.34 -1.25 -0.33 0.00 0.00 177.00 176.64 1xm2 s PRO 76 N -2.63 3.89 0.98 5.54 0.04 -1.26 -4.92 135.00 136.64 1xm2 s PRO 76 Ca 0.62 2.25 -0.11 0.00 0.04 0.00 0.00 61.00 63.80 1xm2 s PRO 76 Cb -0.29 -2.74 0.18 0.00 0.04 0.00 0.00 34.50 31.69 1xm2 s PRO 76 CO 0.35 -0.59 1.10 -1.54 0.04 0.00 0.00 177.00 176.36 1xm2 s SER 77 N -0.65 2.53 0.29 6.66 1.04 -1.26 -4.80 113.70 117.50 1xm2 s SER 77 Ca 0.58 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.85 1xm2 s SER 77 Cb -0.40 -2.42 0.44 0.00 0.10 0.00 0.00 66.02 63.74 1xm2 s SER 77 CO 0.51 -3.29 1.81 0.78 0.98 0.00 0.00 173.24 174.03 1xm2 h ASN 78 N -2.00 0.66 0.67 7.02 4.21 -2.00 -2.54 115.58 121.61 1xm2 h ASN 78 Ca -0.50 -0.14 -0.11 0.00 1.21 0.00 0.00 56.30 56.76 1xm2 h ASN 78 Cb 1.29 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.30 1xm2 h ASN 78 CO 0.47 0.72 -0.52 1.56 -1.29 0.00 0.00 177.43 178.38 1xm2 h GLN 79 N 0.66 0.00 -0.14 0.81 1.08 -1.98 -1.32 115.11 114.22 1xm2 h GLN 79 Ca 0.13 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1xm2 h GLN 79 Cb 0.39 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1xm2 h GLN 79 CO 0.01 0.52 -0.12 0.82 -0.95 0.00 0.00 178.83 179.11 1xm2 h ILE 80 N 0.00 1.34 -0.69 2.54 2.04 -1.83 -0.52 117.51 120.39 1xm2 h ILE 80 Ca -0.01 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 1xm2 h ILE 80 Cb 0.99 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1xm2 h ILE 80 CO 0.07 0.36 0.35 0.58 0.00 0.00 0.00 178.15 179.51 1xm2 h VAL 81 N -0.04 1.22 0.41 1.67 2.07 -1.41 0.90 116.25 121.07 1xm2 h VAL 81 Ca 0.03 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1xm2 h VAL 81 Cb 0.63 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1xm2 h VAL 81 CO 0.03 0.25 -0.25 -0.78 0.02 0.00 0.00 177.57 176.84 1xm2 h ASP 82 N 0.97 -0.64 -0.96 0.57 3.58 -1.04 0.11 116.42 119.01 1xm2 h ASP 82 Ca 0.24 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.85 1xm2 h ASP 82 Cb 0.08 0.19 -0.09 0.00 1.72 0.00 0.00 39.33 41.23 1xm2 h ASP 82 CO -0.03 -0.39 0.58 0.44 -2.88 0.00 0.00 179.24 176.96 1xm2 h ASP 83 N -0.62 0.83 -0.69 2.28 3.32 -0.97 -1.05 116.42 119.53 1xm2 h ASP 83 Ca -0.05 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1xm2 h ASP 83 Cb 0.50 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1xm2 h ASP 83 CO 0.05 0.43 0.44 -0.25 -1.72 0.00 0.00 179.24 178.19 1xm2 h TRP 84 N 0.90 0.83 0.00 4.55 2.91 -0.59 -1.16 115.95 123.40 1xm2 h TRP 84 Ca 0.48 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.40 1xm2 h TRP 84 Cb 0.52 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 1xm2 h TRP 84 CO -0.02 0.50 -0.61 -0.07 -1.03 0.00 0.00 178.44 177.20 1xm2 h LEU 85 N 0.88 0.00 -0.20 0.65 3.38 0.45 -2.33 115.31 118.14 1xm2 h LEU 85 Ca 0.26 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 1xm2 h LEU 85 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xm2 h LEU 85 CO -0.08 0.61 -0.94 0.77 0.09 0.00 0.00 178.44 178.89 1xm2 h SER 86 N 0.00 0.38 0.66 -0.43 4.64 -1.05 -2.22 113.55 115.53 1xm2 h SER 86 Ca -0.01 -0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1xm2 h SER 86 Cb 1.19 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1xm2 h SER 86 CO 0.08 1.13 -0.32 0.25 -0.87 0.00 0.00 176.83 177.10 1xm2 h LEU 87 N 0.15 -0.75 -0.51 5.97 5.85 -1.09 -2.34 115.31 122.59 1xm2 h LEU 87 Ca -0.07 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1xm2 h LEU 87 Cb 1.58 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.73 1xm2 h LEU 87 CO 0.15 -0.52 0.08 0.58 -0.34 0.00 0.00 178.44 178.38 1xm2 h VAL 88 N -0.91 0.68 -0.90 1.05 2.07 -1.46 0.53 116.25 117.31 1xm2 h VAL 88 Ca -0.09 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1xm2 h VAL 88 Cb 0.69 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1xm2 h VAL 88 CO 0.15 0.04 0.57 0.50 0.02 0.00 0.00 177.57 178.85 1xm2 h LYS 89 N 0.21 1.19 0.07 1.57 3.64 -1.30 -3.23 116.57 118.72 1xm2 h LYS 89 Ca 0.26 -0.08 -0.37 0.00 -1.27 0.00 0.00 60.65 59.19 1xm2 h LYS 89 Cb 0.37 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1xm2 h LYS 89 CO -0.36 0.80 -2.13 -0.89 -2.27 0.00 0.00 179.45 174.60 1xm2 n ILE 90 N -4.38 1.67 -0.08 2.00 5.41 -0.89 -4.15 119.36 118.92 1xm2 n ILE 90 Ca 0.10 -0.58 -0.07 0.00 1.00 0.00 0.00 62.75 63.20 1xm2 n ILE 90 Cb 0.03 -1.66 -0.00 0.00 -0.71 0.00 0.00 39.64 37.30 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 -0.05 -0.14 0.00 0.38 1.63 -1.00 0.26 116.57 117.65 1xm2 h LYS 91 Ca -0.48 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 1xm2 h LYS 91 Cb 1.93 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.59 1xm2 h LYS 91 CO -0.01 -0.10 -0.07 0.74 -3.45 0.00 0.00 179.45 176.57 1xm2 h PHE 92 N -0.15 0.00 0.16 1.91 -1.00 -1.77 0.62 116.94 116.70 1xm2 h PHE 92 Ca 0.16 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.61 1xm2 h PHE 92 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 1xm2 h PHE 92 CO -0.39 0.07 -1.69 0.00 -1.61 0.00 0.00 178.31 174.69 1xm2 h ARG 93 N 0.00 0.33 -0.47 1.51 3.08 -1.43 -3.19 114.38 114.21 1xm2 h ARG 93 Ca -0.00 -0.57 -0.05 0.00 0.07 0.00 0.00 59.98 59.43 1xm2 h ARG 93 Cb 0.19 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1xm2 h ARG 93 CO 0.01 1.27 0.10 1.49 -1.07 0.00 0.00 179.97 181.77 1xm2 h GLU 94 N -0.02 0.77 -2.32 0.04 4.81 0.05 -3.34 114.58 114.56 1xm2 h GLU 94 Ca -0.35 -0.19 -0.60 0.00 -0.13 0.00 0.00 59.36 58.09 1xm2 h GLU 94 Cb 1.99 -0.10 -0.41 0.00 0.63 0.00 0.00 28.75 30.86 1xm2 h GLU 94 CO 0.13 0.76 -0.68 0.39 -0.73 0.00 0.00 179.01 178.88 1xm2 n GLU 95 N -4.47 2.05 -1.65 1.92 1.02 0.21 -5.07 120.64 114.65 1xm2 n GLU 95 Ca 0.01 -4.37 -0.55 0.00 -0.02 0.00 0.00 57.16 52.23 1xm2 n GLU 95 Cb 0.23 -2.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.50 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 1.20 1.12 -0.64 3.49 -0.02 -1.20 -1.55 135.00 137.39 1xm2 n PRO 96 Ca 0.27 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1xm2 n PRO 96 Cb 0.42 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.34 0.78 3.81 -1.23 0.00 -1.26 -5.06 105.19 105.57 1xm2 n GLY 97 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 0.11 4.73 -0.17 0.00 1.01 -0.76 -2.02 121.20 124.10 1xm2 s ILE 100 Ca -0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.38 1xm2 s ILE 100 Cb -0.13 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1xm2 s ILE 100 CO 0.03 0.34 0.44 0.00 0.00 0.00 0.00 174.94 175.75 1xm2 s ALA 101 N 1.40 3.53 -0.12 9.38 0.00 -0.28 -2.07 121.76 133.60 1xm2 s ALA 101 Ca 0.06 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1xm2 s ALA 101 Cb -0.15 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1xm2 s ALA 101 CO 0.05 -0.20 -0.16 0.08 0.00 0.00 0.00 175.76 175.53 1xm2 s VAL 102 N 1.10 2.77 -0.02 0.00 1.01 -0.02 0.23 120.40 125.47 1xm2 s VAL 102 Ca 0.22 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 1xm2 s VAL 102 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1xm2 s VAL 102 CO 0.09 0.53 0.10 -1.38 0.00 0.00 0.00 175.10 174.44 1xm2 s HIS 103 N 0.35 -0.00 0.00 5.22 -3.43 -0.89 -2.63 115.29 113.90 1xm2 s HIS 103 Ca -0.13 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 1xm2 s HIS 103 Cb -0.17 -0.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 1xm2 s HIS 103 CO 0.07 -0.16 0.00 -1.13 -2.00 0.00 0.00 174.74 171.51 1xm2 n SER 104 N 2.23 0.13 -0.01 7.38 3.41 -1.23 -2.19 113.62 123.33 1xm2 n SER 104 Ca -0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.42 1xm2 n SER 104 Cb 0.57 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 -1.91 -3.10 116.25 109.99 1xm2 h VAL 105 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 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 -1.57 0.00 0.02 0.00 0.00 177.57 176.02 1xm2 n ALA 106 N -2.49 3.59 -1.17 1.67 0.00 -1.26 -3.24 120.51 117.60 1xm2 n ALA 106 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.84 1xm2 n ALA 106 Cb 0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 1.37 0.81 0.17 0.00 0.00 -1.26 -4.85 105.19 101.43 1xm2 n GLY 107 Ca -0.01 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.65 1.06 0.00 0.99 4.77 -1.26 -4.51 117.00 117.40 1xm2 n LEU 108 Ca -0.06 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1xm2 n LEU 108 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1xm2 n LEU 108 CO 0.09 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xm2 n GLY 109 N 1.12 0.49 0.21 -0.72 0.00 -1.26 -3.66 105.19 101.37 1xm2 n GLY 109 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.01 0.56 1.61 3.08 -1.93 -1.40 114.38 116.29 1xm2 h ARG 110 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xm2 h ARG 110 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xm2 h ARG 110 CO 0.00 -0.00 -0.27 0.00 -1.07 0.00 0.00 179.97 178.63 1xm2 h ALA 111 N 1.50 -0.75 0.00 0.04 0.00 -1.90 -2.56 119.26 115.60 1xm2 h ALA 111 Ca 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xm2 h ALA 111 Cb 0.38 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xm2 h ALA 111 CO -0.53 -0.85 -0.01 -1.00 0.00 0.00 0.00 179.25 176.86 1xm2 h PRO 112 N -0.89 0.00 0.02 0.00 0.13 -1.77 -2.50 132.00 126.99 1xm2 h PRO 112 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1xm2 h PRO 112 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1xm2 h PRO 112 CO 0.13 0.01 -0.01 0.28 -0.23 0.00 0.00 178.00 178.18 1xm2 h VAL 113 N 0.00 1.16 -0.55 1.56 2.07 -0.85 0.47 116.25 120.11 1xm2 h VAL 113 Ca -0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1xm2 h VAL 113 Cb 0.08 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1xm2 h VAL 113 CO 0.00 0.14 0.36 -0.07 0.02 0.00 0.00 177.57 178.03 1xm2 h LEU 114 N -0.26 0.64 -1.23 2.57 3.38 -1.20 -0.10 115.31 119.11 1xm2 h LEU 114 Ca -0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1xm2 h LEU 114 Cb 0.25 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1xm2 h LEU 114 CO 0.00 0.47 0.54 0.58 0.09 0.00 0.00 178.44 180.12 1xm2 h VAL 115 N 0.75 1.10 -0.08 1.22 2.07 -1.34 -1.13 116.25 118.84 1xm2 h VAL 115 Ca 0.20 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1xm2 h VAL 115 Cb -0.08 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 1xm2 h VAL 115 CO -0.04 0.18 0.04 0.00 0.02 0.00 0.00 177.57 177.76 1xm2 h ALA 116 N 1.53 0.10 -0.78 1.67 0.00 0.48 -1.57 119.26 120.69 1xm2 h ALA 116 Ca 0.34 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1xm2 h ALA 116 Cb 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1xm2 h ALA 116 CO -0.11 -0.35 0.51 -0.07 0.00 0.00 0.00 179.25 179.23 1xm2 h LEU 117 N 0.02 0.61 -0.11 0.00 3.38 0.07 0.38 115.31 119.65 1xm2 h LEU 117 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1xm2 h LEU 117 Cb 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xm2 h LEU 117 CO -0.00 0.35 -0.03 0.00 0.09 0.00 0.00 178.44 178.85 1xm2 h ALA 118 N 1.61 0.16 -0.56 1.53 0.00 -0.80 -1.95 119.26 119.25 1xm2 h ALA 118 Ca 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xm2 h ALA 118 Cb 0.52 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1xm2 h ALA 118 CO -0.14 -0.10 0.36 -0.07 0.00 0.00 0.00 179.25 179.30 1xm2 h LEU 119 N -0.10 0.66 0.34 0.00 3.38 -0.38 -0.22 115.31 118.98 1xm2 h LEU 119 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xm2 h LEU 119 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xm2 h LEU 119 CO 0.01 0.49 -0.16 0.40 0.09 0.00 0.00 178.44 179.27 1xm2 h ILE 120 N 0.77 0.67 -0.27 1.22 2.04 -0.78 -2.35 117.51 118.81 1xm2 h ILE 120 Ca 0.21 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.68 1xm2 h ILE 120 Cb -0.06 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1xm2 h ILE 120 CO -0.04 0.09 0.24 -0.33 0.00 0.00 0.00 178.15 178.11 1xm2 h GLU 121 N -0.72 0.00 0.00 2.37 4.39 -1.09 0.41 114.58 119.94 1xm2 h GLU 121 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1xm2 h GLU 121 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1xm2 h GLU 121 CO 0.08 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 1xm2 n GLY 122 N -1.50 -0.99 0.00 -3.84 0.00 -0.12 -5.00 105.19 93.75 1xm2 n GLY 122 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.27 0.64 3.19 -0.02 0.00 0.14 -5.03 105.19 104.38 1xm2 n GLY 123 Ca 0.06 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.56 1.14 0.32 1.61 1.02 -1.26 -5.02 119.74 117.00 1xm2 s LYS 125 Ca 0.00 -0.83 0.10 0.00 0.02 0.00 0.00 55.97 55.26 1xm2 s LYS 125 Cb 0.00 -1.20 0.93 0.00 -0.52 0.00 0.00 37.83 37.05 1xm2 s LYS 125 CO 0.00 0.30 1.67 0.10 -0.92 0.00 0.00 175.35 176.51 1xm2 h TYR 126 N 4.93 0.79 -0.34 3.18 -0.00 -1.96 0.28 116.97 123.85 1xm2 h TYR 126 Ca -0.40 0.04 -0.00 0.00 0.00 0.00 0.00 58.73 58.37 1xm2 h TYR 126 Cb 1.17 -0.19 -0.02 0.00 0.00 0.00 0.00 36.73 37.69 1xm2 h TYR 126 CO 0.51 -0.13 0.21 0.93 -0.00 0.00 0.00 178.16 179.68 1xm2 h GLU 127 N 0.35 0.46 -0.49 0.10 3.07 -2.00 -0.94 114.58 115.14 1xm2 h GLU 127 Ca 0.66 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.44 1xm2 h GLU 127 Cb 1.41 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 1xm2 h GLU 127 CO -0.59 0.35 0.12 -0.44 -1.40 0.00 0.00 179.01 177.06 1xm2 h ASP 128 N 0.44 0.68 -0.46 1.42 3.32 -1.01 -2.24 116.42 118.58 1xm2 h ASP 128 Ca 0.12 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1xm2 h ASP 128 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1xm2 h ASP 128 CO -0.02 0.67 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 1xm2 h ALA 129 N 1.43 0.61 0.58 3.45 0.00 -0.48 -1.71 119.26 123.13 1xm2 h ALA 129 Ca 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xm2 h ALA 129 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xm2 h ALA 129 CO -0.00 0.41 -0.32 0.28 0.00 0.00 0.00 179.25 179.62 1xm2 h VAL 130 N 0.65 0.35 0.26 0.00 2.07 -0.79 -1.81 116.25 116.98 1xm2 h VAL 130 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1xm2 h VAL 130 Cb 0.50 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1xm2 h VAL 130 CO 0.02 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.94 1xm2 h GLN 131 N -0.83 -0.49 -1.01 1.57 1.08 -1.44 0.43 115.11 114.41 1xm2 h GLN 131 Ca -0.07 0.03 0.28 0.00 -1.45 0.00 0.00 58.65 57.44 1xm2 h GLN 131 Cb 0.66 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 28.07 1xm2 h GLN 131 CO 0.10 -0.33 0.60 0.35 -0.95 0.00 0.00 178.83 178.60 1xm2 h PHE 132 N -0.51 0.95 0.09 2.96 3.57 -1.28 0.22 116.94 122.94 1xm2 h PHE 132 Ca -0.01 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1xm2 h PHE 132 Cb 0.47 -0.26 0.02 0.00 2.79 0.00 0.00 35.95 38.96 1xm2 h PHE 132 CO -0.15 -0.03 -0.64 0.82 -2.23 0.00 0.00 178.31 176.07 1xm2 h ILE 133 N 0.46 1.53 0.00 1.41 2.04 -0.84 -3.26 117.51 118.85 1xm2 h ILE 133 Ca 0.68 -2.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 1xm2 h ILE 133 Cb 1.45 3.09 -0.00 0.00 -0.74 0.00 0.00 36.82 40.62 1xm2 h ILE 133 CO -0.51 0.67 -0.03 0.03 0.00 0.00 0.00 178.15 178.31 1xm2 h ARG 134 N -0.40 0.00 0.00 2.37 3.08 0.42 0.44 114.38 120.28 1xm2 h ARG 134 Ca -0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1xm2 h ARG 134 Cb 1.47 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.51 1xm2 h ARG 134 CO 0.12 0.03 -0.09 0.37 -1.07 0.00 0.00 179.97 179.33 1xm2 h GLN 135 N 0.00 0.00 0.00 0.04 -0.00 -0.67 -2.77 115.11 111.71 1xm2 h GLN 135 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 1xm2 h GLN 135 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.53 1xm2 h GLN 135 CO 0.00 0.09 -2.23 1.63 0.00 0.00 0.00 178.83 178.33 1xm2 n LYS 136 N -3.61 0.87 -3.70 1.69 4.01 0.12 -4.83 118.16 112.71 1xm2 n LYS 136 Ca -0.02 -0.04 -0.30 0.00 -0.51 0.00 0.00 58.31 57.45 1xm2 n LYS 136 Cb 0.21 -1.48 -0.15 0.00 -0.51 0.00 0.00 35.03 33.10 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 -2.62 0.63 0.00 1.97 6.06 0.50 -4.88 118.95 120.61 1xm2 s ARG 137 Ca -0.09 -0.98 0.00 0.00 -2.50 0.00 0.00 55.73 52.16 1xm2 s ARG 137 Cb 0.07 -1.86 0.00 0.00 0.06 0.00 0.00 34.95 33.22 1xm2 s ARG 137 CO 0.78 -0.99 0.34 -2.13 -2.50 0.00 0.00 175.30 170.81 1xm2 n ARG 138 N 4.91 0.00 -2.84 5.12 0.63 -1.21 -2.29 116.66 120.97 1xm2 n ARG 138 Ca -0.03 0.34 -0.40 0.00 -0.92 0.00 0.00 57.85 56.84 1xm2 n ARG 138 Cb 0.42 -0.56 0.01 0.00 0.45 0.00 0.00 32.46 32.78 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 -0.89 5.67 0.14 5.14 0.00 -1.26 -4.84 105.19 109.15 1xm2 n GLY 139 Ca 0.00 -2.64 0.12 0.00 0.00 0.00 0.00 46.02 43.51 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 4.64 1.00 -2.68 4.61 0.00 -1.68 -3.45 119.26 121.70 1xm2 h ALA 140 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1xm2 h ALA 140 Cb 0.46 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.06 1xm2 h ALA 140 CO 1.21 0.00 -0.45 -0.06 0.00 0.00 0.00 179.25 179.95 1xm2 s PHE 141 N -3.30 0.03 0.48 0.00 0.40 -1.24 -4.24 117.98 110.11 1xm2 s PHE 141 Ca 0.05 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1xm2 s PHE 141 Cb 0.10 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.59 1xm2 s PHE 141 CO 0.44 -0.33 0.34 0.54 0.70 0.00 0.00 175.22 176.90 1xm2 s ASN 142 N -1.57 4.68 0.00 1.36 2.20 -1.26 -4.93 114.94 115.42 1xm2 s ASN 142 Ca -0.12 -1.09 0.00 0.00 -0.94 0.00 0.00 52.86 50.71 1xm2 s ASN 142 Cb -0.06 -0.05 0.00 0.00 -2.00 0.00 0.00 41.25 39.14 1xm2 s ASN 142 CO 0.00 -0.85 0.97 -1.20 -2.94 0.00 0.00 177.10 173.08 1xm2 n SER 143 N -1.57 0.00 -0.12 3.54 7.64 -1.26 -0.86 113.62 120.99 1xm2 n SER 143 Ca -0.01 0.97 -0.05 0.00 1.01 0.00 0.00 58.87 60.79 1xm2 n SER 143 Cb 0.64 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 1xm2 n SER 143 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1xm2 h LYS 144 N 0.00 -0.01 -0.31 1.43 1.57 -1.97 -0.33 116.57 116.95 1xm2 h LYS 144 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1xm2 h LYS 144 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1xm2 h LYS 144 CO 0.00 -0.01 -0.08 1.96 -0.57 0.00 0.00 179.45 180.75 1xm2 h GLN 145 N -0.01 -0.01 -0.21 3.15 4.20 -1.75 0.42 115.11 120.90 1xm2 h GLN 145 Ca 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1xm2 h GLN 145 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1xm2 h GLN 145 CO -0.41 -0.01 -0.01 -0.07 -0.67 0.00 0.00 178.83 177.66 1xm2 h LEU 146 N -0.01 0.28 -0.46 1.46 3.38 -0.41 -1.25 115.31 118.31 1xm2 h LEU 146 Ca 0.15 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1xm2 h LEU 146 Cb 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1xm2 h LEU 146 CO -0.32 0.34 0.06 0.25 0.09 0.00 0.00 178.44 178.86 1xm2 h LEU 147 N 0.30 0.73 0.02 1.67 5.85 0.87 -1.44 115.31 123.32 1xm2 h LEU 147 Ca 0.07 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1xm2 h LEU 147 Cb 0.23 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1xm2 h LEU 147 CO 0.01 0.82 -0.06 0.22 -0.34 0.00 0.00 178.44 179.08 1xm2 h TYR 148 N 0.62 -0.16 0.00 1.25 3.20 0.71 -2.53 116.97 120.06 1xm2 h TYR 148 Ca 0.14 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1xm2 h TYR 148 Cb 0.40 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1xm2 h TYR 148 CO 0.03 -0.10 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.21 1xm2 h LEU 149 N -0.12 0.00 -0.80 2.82 3.38 -1.17 -2.10 115.31 117.32 1xm2 h LEU 149 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1xm2 h LEU 149 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xm2 h LEU 149 CO -0.05 0.17 -0.54 -0.08 0.09 0.00 0.00 178.44 178.03 1xm2 h GLU 150 N 0.00 0.16 -0.33 1.13 4.81 -0.85 -3.18 114.58 116.32 1xm2 h GLU 150 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xm2 h GLU 150 Cb 0.32 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1xm2 h GLU 150 CO 0.02 0.66 0.00 1.63 -0.73 0.00 0.00 179.01 180.59 1xm2 n LYS 151 N -3.91 2.32 -2.22 1.92 5.02 -1.03 -4.97 118.16 115.28 1xm2 n LYS 151 Ca -0.02 -2.13 -0.41 0.00 -2.02 0.00 0.00 58.31 53.73 1xm2 n LYS 151 Cb 0.57 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 1xm2 n LYS 151 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1xm2 s TYR 152 N -1.38 3.26 -0.29 2.13 5.04 -0.82 -5.01 117.35 120.28 1xm2 s TYR 152 Ca 0.34 1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 56.08 1xm2 s TYR 152 Cb 0.20 -3.60 -0.00 0.00 0.35 0.00 0.00 41.96 38.90 1xm2 s TYR 152 CO 0.28 -1.91 0.11 1.03 -1.34 0.00 0.00 175.55 173.71 1xm2 s ARG 153 N 0.08 3.27 1.12 4.97 0.52 -1.26 -5.05 118.95 122.60 1xm2 s ARG 153 Ca 0.58 -0.74 -0.19 0.00 -0.52 0.00 0.00 55.73 54.85 1xm2 s ARG 153 Cb -0.36 -3.44 0.26 0.00 0.52 0.00 0.00 34.95 31.93 1xm2 s ARG 153 CO 0.37 -0.39 1.22 -1.25 0.02 0.00 0.00 175.30 175.26 1xm2 s PRO 154 N 1.56 -0.62 0.00 3.54 0.04 -1.26 -5.15 135.00 133.11 1xm2 s PRO 154 Ca 0.04 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1xm2 s PRO 154 Cb -0.17 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1xm2 s PRO 154 CO 0.04 -3.27 0.28 1.63 0.04 0.00 0.00 177.00 175.72