#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 3.92 0.03 0.00 0.04 -1.26 -4.77 135.00 132.96 1xm2 s PRO 9 Ca 0.00 -0.27 -0.25 0.00 0.04 0.00 0.00 61.00 60.52 1xm2 s PRO 9 Cb 0.00 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1xm2 s PRO 9 CO 0.00 0.38 0.76 0.08 0.04 0.00 0.00 177.00 178.26 1xm2 s VAL 10 N 0.08 4.76 -0.05 -0.36 1.01 -0.91 -4.95 120.40 119.98 1xm2 s VAL 10 Ca 0.07 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.71 1xm2 s VAL 10 Cb -0.12 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1xm2 s VAL 10 CO 0.00 0.35 -0.20 -0.70 0.00 0.00 0.00 175.10 174.55 1xm2 s GLU 11 N 0.02 2.08 -0.04 2.72 2.12 -1.26 -0.97 118.70 123.36 1xm2 s GLU 11 Ca 0.38 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 55.01 1xm2 s GLU 11 Cb -0.20 -1.79 0.01 0.00 0.26 0.00 0.00 34.13 32.41 1xm2 s GLU 11 CO 0.23 0.30 -0.11 0.08 -0.54 0.00 0.00 175.26 175.21 1xm2 s VAL 12 N -0.06 1.01 -0.02 3.70 1.01 0.16 -4.99 120.40 121.21 1xm2 s VAL 12 Ca -0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1xm2 s VAL 12 Cb -0.12 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1xm2 s VAL 12 CO 0.03 0.31 0.10 0.42 0.00 0.00 0.00 175.10 175.96 1xm2 s THR 13 N 0.39 0.04 0.00 3.92 -4.23 -1.26 0.11 115.64 114.61 1xm2 s THR 13 Ca -0.08 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1xm2 s THR 13 Cb -0.12 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1xm2 s THR 13 CO 0.02 -0.18 0.00 0.00 -0.54 0.00 0.00 174.62 173.92 1xm2 n TYR 14 N 2.37 0.00 -0.04 3.99 9.36 -1.26 -5.00 117.16 126.59 1xm2 n TYR 14 Ca -0.17 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 60.99 1xm2 n TYR 14 Cb 0.58 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.25 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 0.18 -1.92 2.98 5.02 -1.26 -4.74 118.16 118.41 1xm2 n LYS 15 Ca 0.00 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.96 1xm2 n LYS 15 Cb 0.00 -1.07 0.04 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.85 7.14 0.00 4.39 2.04 -1.26 -5.14 115.26 119.58 1xm2 n ASN 16 Ca -0.13 -3.82 0.00 0.00 -0.44 0.00 0.00 54.58 50.19 1xm2 n ASN 16 Cb 0.63 -0.96 0.00 0.00 -2.53 0.00 0.00 39.78 36.92 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 -0.58 0.00 -4.20 -3.83 0.63 -1.26 -4.69 116.66 102.73 1xm2 n ARG 18 Ca 0.53 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 57.18 1xm2 n ARG 18 Cb 0.35 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.18 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 2.83 -0.20 -0.14 0.40 0.29 -2.48 117.98 118.69 1xm2 s PHE 19 Ca 0.00 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1xm2 s PHE 19 Cb 0.00 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.15 1xm2 s PHE 19 CO 0.00 0.48 -0.08 -1.17 0.70 0.00 0.00 175.22 175.15 1xm2 s LEU 20 N -2.59 2.14 -0.32 -0.37 2.96 -0.84 -0.67 118.68 118.99 1xm2 s LEU 20 Ca 0.25 -0.87 -0.13 0.00 -0.22 0.00 0.00 54.13 53.16 1xm2 s LEU 20 Cb -0.10 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1xm2 s LEU 20 CO 0.17 -0.17 0.25 -0.63 -1.32 0.00 0.00 176.35 174.65 1xm2 s ILE 21 N 1.46 5.27 0.49 6.68 1.01 -0.15 -0.83 121.20 135.14 1xm2 s ILE 21 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1xm2 s ILE 21 Cb -0.16 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1xm2 s ILE 21 CO -0.08 0.07 0.30 0.42 0.00 0.00 0.00 174.94 175.66 1xm2 s THR 22 N 1.79 1.92 0.78 2.92 -4.23 -0.97 -2.14 115.64 115.71 1xm2 s THR 22 Ca 0.08 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1xm2 s THR 22 Cb -0.17 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.32 1xm2 s THR 22 CO 0.11 0.00 1.08 -1.38 -0.54 0.00 0.00 174.62 173.89 1xm2 s HIS 23 N -2.70 1.87 -0.54 3.99 -3.43 -1.26 -4.32 115.29 108.90 1xm2 s HIS 23 Ca 0.35 0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 54.41 1xm2 s HIS 23 Cb -0.00 -3.34 0.05 0.00 -1.43 0.00 0.00 32.58 27.86 1xm2 s HIS 23 CO 0.21 -1.89 0.86 1.21 -2.00 0.00 0.00 174.74 173.13 1xm2 s ASN 24 N -4.73 6.31 0.84 7.38 2.47 -1.25 -4.87 114.94 121.09 1xm2 s ASN 24 Ca 0.67 -0.50 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1xm2 s ASN 24 Cb -0.06 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1xm2 s ASN 24 CO 0.47 -1.14 0.00 -0.81 -3.72 0.00 0.00 177.10 171.89 1xm2 n PRO 25 N 7.13 -1.43 -4.08 0.43 -0.04 -1.26 -5.10 135.00 130.66 1xm2 n PRO 25 Ca -0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 1xm2 n PRO 25 Cb 0.47 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.86 1xm2 n PRO 25 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xm2 s THR 26 N -0.84 0.00 0.34 0.52 -4.23 -1.26 -4.81 115.64 105.36 1xm2 s THR 26 Ca 0.00 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1xm2 s THR 26 Cb 0.00 -2.32 0.08 0.00 1.34 0.00 0.00 72.50 71.60 1xm2 s THR 26 CO 0.00 0.00 1.78 0.78 -0.54 0.00 0.00 174.62 176.64 1xm2 h ASN 27 N 2.39 0.19 0.91 3.99 2.35 -1.96 -0.61 115.58 122.84 1xm2 h ASN 27 Ca -0.30 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.27 1xm2 h ASN 27 Cb 1.25 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1xm2 h ASN 27 CO 0.42 0.51 -0.56 0.00 -1.65 0.00 0.00 177.43 176.16 1xm2 h ALA 28 N 1.50 0.84 -0.14 -0.83 0.00 -1.98 -3.24 119.26 115.41 1xm2 h ALA 28 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xm2 h ALA 28 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xm2 h ALA 28 CO 0.05 0.70 0.00 0.25 0.00 0.00 0.00 179.25 180.24 1xm2 n THR 29 N -3.53 0.25 -0.36 0.00 -2.24 -1.09 -4.66 114.28 102.66 1xm2 n THR 29 Ca -0.00 -0.63 0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1xm2 n THR 29 Cb 0.64 1.13 0.25 0.00 -2.10 0.00 0.00 70.33 70.25 1xm2 n THR 29 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xm2 h LEU 30 N 3.15 0.87 -0.42 3.22 3.38 -1.14 -0.59 115.31 123.79 1xm2 h LEU 30 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xm2 h LEU 30 Cb 0.72 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1xm2 h LEU 30 CO 0.00 0.43 0.23 -1.13 0.09 0.00 0.00 178.44 178.07 1xm2 h ASN 31 N 0.93 0.36 0.65 -0.43 -1.24 -1.83 0.22 115.58 114.25 1xm2 h ASN 31 Ca 0.51 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.39 1xm2 h ASN 31 Cb 0.57 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 1xm2 h ASN 31 CO -0.29 0.26 -0.67 0.11 -1.29 0.00 0.00 177.43 175.55 1xm2 h LYS 32 N 0.47 0.02 -0.38 6.67 1.79 -1.79 -2.56 116.57 120.79 1xm2 h LYS 32 Ca 0.17 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1xm2 h LYS 32 Cb 0.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1xm2 h LYS 32 CO -0.10 0.68 0.13 0.35 -1.08 0.00 0.00 179.45 179.43 1xm2 h PHE 33 N 0.01 0.60 -0.23 -1.35 3.57 -0.39 -2.48 116.94 116.66 1xm2 h PHE 33 Ca -0.01 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 1xm2 h PHE 33 Cb 1.19 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 1xm2 h PHE 33 CO 0.00 0.56 -0.23 0.82 -2.23 0.00 0.00 178.31 177.23 1xm2 h ILE 34 N 0.46 1.25 -0.51 1.41 2.04 -0.46 -2.10 117.51 119.61 1xm2 h ILE 34 Ca 0.12 -1.20 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1xm2 h ILE 34 Cb 0.24 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1xm2 h ILE 34 CO -0.01 0.38 -0.00 -0.33 0.00 0.00 0.00 178.15 178.19 1xm2 h GLU 35 N 0.39 0.90 -0.14 2.37 5.08 -1.28 -1.96 114.58 119.93 1xm2 h GLU 35 Ca 0.06 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1xm2 h GLU 35 Cb 0.62 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1xm2 h GLU 35 CO 0.04 0.93 0.05 1.49 -1.00 0.00 0.00 179.01 180.53 1xm2 h GLU 36 N 0.76 0.21 0.10 2.33 4.57 -1.25 -1.73 114.58 119.58 1xm2 h GLU 36 Ca 0.14 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1xm2 h GLU 36 Cb 0.53 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1xm2 h GLU 36 CO 0.03 0.31 -0.31 -0.07 -1.18 0.00 0.00 179.01 177.79 1xm2 h LEU 37 N 0.07 -0.89 -0.77 1.64 3.38 -1.31 -1.67 115.31 115.77 1xm2 h LEU 37 Ca 0.05 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.30 1xm2 h LEU 37 Cb 0.18 0.34 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 1xm2 h LEU 37 CO -0.00 -0.39 0.13 0.11 0.09 0.00 0.00 178.44 178.38 1xm2 h LYS 38 N -0.52 0.20 -0.12 1.13 1.57 -1.22 0.07 116.57 117.67 1xm2 h LYS 38 Ca 0.04 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1xm2 h LYS 38 Cb 0.56 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1xm2 h LYS 38 CO -0.19 0.13 -0.12 0.87 -0.57 0.00 0.00 179.45 179.57 1xm2 h LYS 39 N 0.20 0.19 -0.00 3.15 1.57 -0.49 -0.73 116.57 120.46 1xm2 h LYS 39 Ca 0.44 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1xm2 h LYS 39 Cb 0.79 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1xm2 h LYS 39 CO -0.59 0.32 -0.03 0.66 -0.57 0.00 0.00 179.45 179.24 1xm2 n TYR 40 N -4.31 0.00 -2.23 -1.35 4.02 -0.04 -4.92 117.16 108.34 1xm2 n TYR 40 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.86 1xm2 n TYR 40 Cb 0.24 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.18 0.49 3.70 2.72 0.00 -0.28 -4.55 105.19 108.45 1xm2 n GLY 41 Ca 0.18 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.43 5.01 -0.04 1.61 1.01 -1.07 -1.91 120.40 122.59 1xm2 s VAL 42 Ca 0.02 1.46 0.14 0.00 0.00 0.00 0.00 61.98 63.59 1xm2 s VAL 42 Cb -0.01 -4.05 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 1xm2 s VAL 42 CO 0.02 0.19 0.27 0.35 0.00 0.00 0.00 175.10 175.93 1xm2 n THR 43 N 4.07 0.13 -3.75 3.92 -2.24 -1.21 -4.64 114.28 110.55 1xm2 n THR 43 Ca -0.00 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1xm2 n THR 43 Cb 0.51 0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.67 1xm2 n THR 43 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xm2 s THR 44 N -2.88 -0.02 0.11 4.28 -1.32 -1.26 -0.69 115.64 113.87 1xm2 s THR 44 Ca -0.05 0.07 0.10 0.00 -1.21 0.00 0.00 61.69 60.59 1xm2 s THR 44 Cb 0.08 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 1xm2 s THR 44 CO 0.58 0.03 -0.22 -0.51 -2.21 0.00 0.00 174.62 172.29 1xm2 s ILE 45 N 0.68 2.59 -0.31 5.08 2.07 0.18 -2.32 121.20 129.16 1xm2 s ILE 45 Ca -0.04 -1.56 0.02 0.00 -1.41 0.00 0.00 60.65 57.66 1xm2 s ILE 45 Cb -0.06 -2.16 0.08 0.00 0.13 0.00 0.00 42.46 40.46 1xm2 s ILE 45 CO -0.04 0.13 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.43 1xm2 s VAL 46 N -1.07 2.41 -0.32 4.00 1.01 -0.35 -0.97 120.40 125.10 1xm2 s VAL 46 Ca 0.16 -1.93 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 1xm2 s VAL 46 Cb -0.10 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1xm2 s VAL 46 CO 0.08 -0.33 0.78 -0.60 0.00 0.00 0.00 175.10 175.03 1xm2 s ARG 47 N 1.04 3.89 0.00 2.72 3.52 -0.42 -2.33 118.95 127.37 1xm2 s ARG 47 Ca 0.01 0.49 0.24 0.00 -0.13 0.00 0.00 55.73 56.34 1xm2 s ARG 47 Cb -0.20 -3.75 0.29 0.00 -1.56 0.00 0.00 34.95 29.73 1xm2 s ARG 47 CO -0.06 -0.73 1.32 0.28 -0.81 0.00 0.00 175.30 175.30 1xm2 n VAL 48 N 5.61 0.14 -4.15 7.11 0.31 -0.96 -1.47 118.33 124.93 1xm2 n VAL 48 Ca 0.03 -0.56 -0.07 0.00 -0.01 0.00 0.00 64.34 63.74 1xm2 n VAL 48 Cb 0.48 1.31 -0.01 0.00 -0.91 0.00 0.00 33.84 34.71 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 -2.37 4.24 -0.04 0.00 1.03 -1.26 -4.67 118.70 115.63 1xm2 s GLU 50 Ca 0.00 2.33 -0.30 0.00 0.03 0.00 0.00 54.97 57.03 1xm2 s GLU 50 Cb 0.00 -3.14 -0.06 0.00 -0.80 0.00 0.00 34.13 30.13 1xm2 s GLU 50 CO 0.00 -0.53 1.68 0.00 -1.33 0.00 0.00 175.26 175.07 1xm2 s ALA 51 N 0.72 3.62 -0.03 -0.84 0.00 -1.26 -4.89 121.76 119.09 1xm2 s ALA 51 Ca 0.66 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1xm2 s ALA 51 Cb -0.43 -3.75 0.06 0.00 0.00 0.00 0.00 23.12 19.01 1xm2 s ALA 51 CO 0.36 -1.38 0.90 0.25 0.00 0.00 0.00 175.76 175.89 1xm2 n THR 52 N 5.42 0.78 -3.58 0.00 -2.24 -1.26 -5.06 114.28 108.34 1xm2 n THR 52 Ca 0.17 -0.87 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 1xm2 n THR 52 Cb 0.42 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.00 -0.41 -0.22 4.78 -0.85 -1.26 -4.64 117.35 113.75 1xm2 s TYR 53 Ca 0.07 0.11 -0.14 0.00 -0.52 0.00 0.00 57.07 56.59 1xm2 s TYR 53 Cb 0.06 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1xm2 s TYR 53 CO 0.01 -0.97 0.31 0.34 -1.52 0.00 0.00 175.55 173.72 1xm2 s ASP 54 N -2.80 6.31 0.13 -0.18 3.68 -1.26 -4.98 116.67 117.56 1xm2 s ASP 54 Ca 0.05 0.35 0.27 0.00 2.13 0.00 0.00 52.55 55.35 1xm2 s ASP 54 Cb -0.03 -2.19 0.90 0.00 -1.45 0.00 0.00 42.92 40.16 1xm2 s ASP 54 CO -0.06 -0.04 1.78 0.35 0.13 0.00 0.00 175.17 177.33 1xm2 n THR 55 N 4.41 0.37 -0.29 1.71 -2.24 -1.26 -4.09 114.28 112.90 1xm2 n THR 55 Ca -0.11 -0.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1xm2 n THR 55 Cb 0.51 -0.50 0.38 0.00 -2.10 0.00 0.00 70.33 68.62 1xm2 n THR 55 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1xm2 h THR 56 N 0.00 0.80 0.00 4.28 1.35 -2.00 0.20 112.91 117.55 1xm2 h THR 56 Ca 0.00 -0.24 -0.08 0.00 -0.55 0.00 0.00 66.41 65.55 1xm2 h THR 56 Cb 0.66 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 1xm2 h THR 56 CO 0.00 0.13 -0.37 0.25 -0.25 0.00 0.00 175.52 175.28 1xm2 h LEU 57 N 0.69 0.00 -0.13 3.87 5.85 -2.00 -1.44 115.31 122.15 1xm2 h LEU 57 Ca 0.47 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.08 1xm2 h LEU 57 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1xm2 h LEU 57 CO -0.23 0.37 -0.35 0.58 -0.34 0.00 0.00 178.44 178.47 1xm2 h VAL 58 N 0.00 1.37 -0.79 1.05 2.07 -0.90 -2.61 116.25 116.44 1xm2 h VAL 58 Ca -0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1xm2 h VAL 58 Cb 0.68 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 1xm2 h VAL 58 CO 0.05 0.49 0.51 -0.33 0.02 0.00 0.00 177.57 178.31 1xm2 h GLU 59 N 0.05 1.06 -0.19 1.57 4.39 -1.07 -2.32 114.58 118.07 1xm2 h GLU 59 Ca -0.01 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1xm2 h GLU 59 Cb 0.97 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1xm2 h GLU 59 CO 0.08 0.71 -0.19 -0.22 -1.16 0.00 0.00 179.01 178.23 1xm2 h LYS 60 N 1.08 0.32 -0.02 2.33 3.64 -1.18 -2.45 116.57 120.29 1xm2 h LYS 60 Ca 0.29 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1xm2 h LYS 60 Cb -0.10 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1xm2 h LYS 60 CO -0.06 0.50 0.00 0.39 -2.27 0.00 0.00 179.45 178.01 1xm2 n GLU 61 N -4.20 1.08 0.00 1.90 -0.58 -0.90 -4.87 120.64 113.07 1xm2 n GLU 61 Ca -0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1xm2 n GLU 61 Cb 0.33 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1xm2 n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xm2 n GLY 62 N 0.82 0.57 3.69 0.62 0.00 -0.92 -5.07 105.19 104.89 1xm2 n GLY 62 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 4.83 -0.06 -0.61 1.01 -1.03 -4.94 121.20 118.39 1xm2 s ILE 63 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1xm2 s ILE 63 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 1xm2 s ILE 63 CO 0.00 0.52 0.41 -2.28 0.00 0.00 0.00 174.94 173.59 1xm2 s HIS 64 N -0.12 3.61 -0.12 3.97 2.46 0.14 -3.23 115.29 122.00 1xm2 s HIS 64 Ca 0.07 0.90 -0.06 0.00 0.47 0.00 0.00 55.06 56.44 1xm2 s HIS 64 Cb -0.12 -2.39 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 1xm2 s HIS 64 CO 0.01 0.42 0.10 0.08 -2.47 0.00 0.00 174.74 172.88 1xm2 s VAL 65 N -0.25 5.14 -0.20 0.89 1.01 -1.26 0.47 120.40 126.20 1xm2 s VAL 65 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1xm2 s VAL 65 Cb -0.16 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1xm2 s VAL 65 CO 0.11 0.59 -0.08 -0.76 0.00 0.00 0.00 175.10 174.96 1xm2 s LEU 66 N -0.77 2.20 -0.85 3.92 1.43 -0.15 -4.96 118.68 119.50 1xm2 s LEU 66 Ca 0.13 -0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 52.14 1xm2 s LEU 66 Cb -0.12 -1.15 0.13 0.00 0.03 0.00 0.00 46.19 45.09 1xm2 s LEU 66 CO 0.03 -0.17 1.02 -1.81 0.23 0.00 0.00 176.35 175.64 1xm2 s ASP 67 N 1.45 6.56 -0.59 2.29 1.01 -1.26 -1.30 116.67 124.82 1xm2 s ASP 67 Ca -0.02 -1.97 0.04 0.00 0.71 0.00 0.00 52.55 51.31 1xm2 s ASP 67 Cb -0.17 -2.36 0.35 0.00 1.01 0.00 0.00 42.92 41.75 1xm2 s ASP 67 CO -0.08 -1.04 1.06 0.79 0.21 0.00 0.00 175.17 176.12 1xm2 n TRP 68 N 6.27 3.84 -2.00 4.23 8.01 -0.54 -5.00 117.44 132.24 1xm2 n TRP 68 Ca 0.16 -3.70 -0.37 0.00 -1.31 0.00 0.00 57.50 52.28 1xm2 n TRP 68 Cb 0.48 -0.47 0.03 0.00 -2.01 0.00 0.00 31.31 29.33 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 -3.56 3.21 0.02 -0.99 0.04 -1.23 -4.57 135.00 127.92 1xm2 s PRO 69 Ca 0.48 1.94 -0.18 0.00 0.04 0.00 0.00 61.00 63.28 1xm2 s PRO 69 Cb 0.30 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1xm2 s PRO 69 CO -0.15 -1.05 0.40 -0.59 0.04 0.00 0.00 177.00 175.65 1xm2 s PHE 70 N -1.49 -0.27 0.12 0.56 -0.12 -1.05 -4.97 117.98 110.76 1xm2 s PHE 70 Ca 0.72 0.30 -0.33 0.00 -0.05 0.00 0.00 56.93 57.57 1xm2 s PHE 70 Cb -0.33 0.19 -0.18 0.00 -0.63 0.00 0.00 43.02 42.07 1xm2 s PHE 70 CO 0.38 -0.52 0.88 -0.25 -0.05 0.00 0.00 175.22 175.66 1xm2 n ASP 71 N 0.76 -0.13 -4.71 1.98 8.00 -1.26 -4.85 116.55 116.34 1xm2 n ASP 71 Ca -0.19 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.03 1xm2 n ASP 71 Cb 0.58 -1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 1xm2 n ASP 71 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xm2 s ASP 72 N -0.39 6.41 0.00 -2.24 -1.08 -1.26 -2.82 116.67 115.29 1xm2 s ASP 72 Ca 0.76 2.81 0.00 0.00 -0.52 0.00 0.00 52.55 55.60 1xm2 s ASP 72 Cb -1.03 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 37.84 1xm2 s ASP 72 CO 0.56 -0.97 0.00 0.61 0.52 0.00 0.00 175.17 175.89 1xm2 n GLY 73 N 4.02 1.42 3.77 2.66 0.00 -1.26 -4.97 105.19 110.83 1xm2 n GLY 73 Ca 0.16 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.07 2.65 0.51 4.61 0.00 -1.13 -4.73 121.76 123.59 1xm2 s ALA 74 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 1xm2 s ALA 74 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1xm2 s ALA 74 CO 0.00 -0.89 1.09 -1.25 0.00 0.00 0.00 175.76 174.71 1xm2 s PRO 75 N -3.36 3.60 0.52 0.00 0.04 -1.26 -4.70 135.00 129.84 1xm2 s PRO 75 Ca 0.73 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 63.07 1xm2 s PRO 75 Cb -0.25 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 1xm2 s PRO 75 CO 0.29 -0.62 1.22 -1.25 0.04 0.00 0.00 177.00 176.68 1xm2 s PRO 76 N -3.20 3.38 0.95 0.56 0.04 -1.26 -4.89 135.00 130.59 1xm2 s PRO 76 Ca 0.69 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 1xm2 s PRO 76 Cb -0.21 -2.22 0.16 0.00 0.04 0.00 0.00 34.50 32.27 1xm2 s PRO 76 CO 0.24 -0.89 1.09 -1.54 0.04 0.00 0.00 177.00 175.94 1xm2 s SER 77 N -1.34 2.95 0.29 6.66 1.04 -1.26 -4.77 113.70 117.26 1xm2 s SER 77 Ca 0.70 1.44 -0.02 0.00 0.48 0.00 0.00 55.95 58.55 1xm2 s SER 77 Cb -0.32 -2.12 0.43 0.00 0.10 0.00 0.00 66.02 64.12 1xm2 s SER 77 CO 0.37 -2.96 1.94 0.78 0.98 0.00 0.00 173.24 174.35 1xm2 h ASN 78 N -1.77 0.98 -0.00 7.02 2.35 -1.99 -1.71 115.58 120.46 1xm2 h ASN 78 Ca -0.52 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.23 1xm2 h ASN 78 Cb 1.30 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 1xm2 h ASN 78 CO 0.54 0.68 -0.07 1.56 -1.65 0.00 0.00 177.43 178.49 1xm2 h GLN 79 N 1.14 -0.12 0.34 0.81 1.08 -1.99 0.73 115.11 117.11 1xm2 h GLN 79 Ca 0.35 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.54 1xm2 h GLN 79 Cb -0.01 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1xm2 h GLN 79 CO -0.10 -0.08 -0.16 0.82 -0.95 0.00 0.00 178.83 178.36 1xm2 h ILE 80 N -0.12 0.68 -0.57 2.54 2.04 -1.87 0.07 117.51 120.28 1xm2 h ILE 80 Ca 0.03 -0.18 0.12 0.00 1.00 0.00 0.00 64.86 65.83 1xm2 h ILE 80 Cb 0.16 0.78 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 1xm2 h ILE 80 CO -0.07 0.04 -0.05 0.58 0.00 0.00 0.00 178.15 178.64 1xm2 h VAL 81 N -0.55 0.50 -0.41 1.67 2.07 -1.19 0.74 116.25 119.08 1xm2 h VAL 81 Ca -0.05 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1xm2 h VAL 81 Cb 0.41 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1xm2 h VAL 81 CO 0.08 0.01 0.25 0.44 0.02 0.00 0.00 177.57 178.37 1xm2 h ASP 82 N 0.07 0.42 -0.52 0.57 3.32 -0.55 -0.98 116.42 118.76 1xm2 h ASP 82 Ca 0.29 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1xm2 h ASP 82 Cb 0.45 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1xm2 h ASP 82 CO -0.52 0.31 -0.10 0.44 -1.72 0.00 0.00 179.24 177.64 1xm2 h ASP 83 N 0.51 0.99 -0.60 6.45 3.32 -0.21 -1.68 116.42 125.21 1xm2 h ASP 83 Ca 0.16 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1xm2 h ASP 83 Cb -0.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1xm2 h ASP 83 CO -0.06 1.11 0.27 -0.25 -1.72 0.00 0.00 179.24 178.59 1xm2 h TRP 84 N 0.85 0.88 -0.02 4.55 2.91 -0.66 0.58 115.95 125.04 1xm2 h TRP 84 Ca 0.13 -0.05 -0.11 0.00 1.13 0.00 0.00 58.89 59.99 1xm2 h TRP 84 Cb 0.66 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1xm2 h TRP 84 CO 0.05 0.68 -0.50 -0.07 -1.03 0.00 0.00 178.44 177.57 1xm2 h LEU 85 N 0.82 0.04 -0.06 0.65 3.38 -1.12 -1.72 115.31 117.29 1xm2 h LEU 85 Ca 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1xm2 h LEU 85 Cb 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xm2 h LEU 85 CO -0.02 0.53 -0.07 -1.28 0.09 0.00 0.00 178.44 177.69 1xm2 h SER 86 N 0.03 0.17 -0.71 -0.43 0.87 -0.77 -1.94 113.55 110.77 1xm2 h SER 86 Ca -0.00 -0.50 0.01 0.00 -1.23 0.00 0.00 61.79 60.07 1xm2 h SER 86 Cb 0.89 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.77 1xm2 h SER 86 CO 0.07 0.63 0.47 0.25 -0.53 0.00 0.00 176.83 177.72 1xm2 h LEU 87 N -0.29 0.80 0.43 2.23 5.85 -0.85 -2.00 115.31 121.48 1xm2 h LEU 87 Ca 0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xm2 h LEU 87 Cb 0.59 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1xm2 h LEU 87 CO 0.02 0.58 -0.22 0.58 -0.34 0.00 0.00 178.44 179.05 1xm2 h VAL 88 N 0.95 0.55 -0.91 1.05 2.07 -1.27 0.24 116.25 118.94 1xm2 h VAL 88 Ca 0.27 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.86 1xm2 h VAL 88 Cb -0.08 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1xm2 h VAL 88 CO -0.07 0.00 0.59 0.50 0.02 0.00 0.00 177.57 178.61 1xm2 h LYS 89 N -0.60 0.96 0.04 1.57 3.64 -1.18 -3.09 116.57 117.92 1xm2 h LYS 89 Ca -0.05 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1xm2 h LYS 89 Cb 0.47 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1xm2 h LYS 89 CO 0.08 0.64 -0.02 0.82 -2.27 0.00 0.00 179.45 178.70 1xm2 h ILE 90 N 0.99 0.60 -0.53 2.00 2.04 -1.19 -3.32 117.51 118.11 1xm2 h ILE 90 Ca 0.40 -1.38 0.11 0.00 1.00 0.00 0.00 64.86 64.98 1xm2 h ILE 90 Cb 0.26 1.12 -0.10 0.00 -0.74 0.00 0.00 36.82 37.35 1xm2 h ILE 90 CO -0.16 0.20 -0.18 0.50 0.00 0.00 0.00 178.15 178.51 1xm2 h LYS 91 N -0.99 -0.05 0.00 2.37 1.63 -0.99 0.17 116.57 118.71 1xm2 h LYS 91 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xm2 h LYS 91 Cb 0.36 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1xm2 h LYS 91 CO 0.01 -0.04 0.00 0.74 -3.45 0.00 0.00 179.45 176.71 1xm2 h PHE 92 N -0.05 0.00 0.00 1.91 -1.00 -1.73 0.30 116.94 116.37 1xm2 h PHE 92 Ca 0.25 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.99 1xm2 h PHE 92 Cb 0.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1xm2 h PHE 92 CO -0.49 0.00 -0.22 -0.09 -1.61 0.00 0.00 178.31 175.90 1xm2 h ARG 93 N 0.00 0.00 -0.56 1.51 9.65 -0.89 -3.17 114.38 120.93 1xm2 h ARG 93 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1xm2 h ARG 93 Cb 0.27 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 1xm2 h ARG 93 CO 0.00 0.85 0.33 0.93 2.80 0.00 0.00 179.97 184.87 1xm2 h GLU 94 N -1.00 0.76 -2.45 0.20 5.08 -0.49 -3.36 114.58 113.32 1xm2 h GLU 94 Ca -0.06 -0.07 -0.59 0.00 -1.00 0.00 0.00 59.36 57.63 1xm2 h GLU 94 Cb 0.91 -0.16 -0.40 0.00 0.50 0.00 0.00 28.75 29.60 1xm2 h GLU 94 CO -0.04 0.56 -0.80 -1.91 -1.00 0.00 0.00 179.01 175.83 1xm2 n GLU 95 N -4.64 1.35 -1.62 2.33 2.13 0.07 -5.09 120.64 115.16 1xm2 n GLU 95 Ca 0.03 -3.93 -0.46 0.00 0.66 0.00 0.00 57.16 53.47 1xm2 n GLU 95 Cb 0.06 -1.89 -0.03 0.00 0.27 0.00 0.00 31.44 29.86 1xm2 n GLU 95 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1xm2 n PRO 96 N 1.79 1.56 -0.63 5.31 -0.02 -1.20 -1.87 135.00 139.93 1xm2 n PRO 96 Ca 0.25 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1xm2 n PRO 96 Cb 0.44 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.71 0.79 3.31 -1.23 0.00 -1.26 -5.06 105.19 103.45 1xm2 n GLY 97 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 0.39 4.50 0.20 0.00 1.01 -1.03 -3.36 121.20 122.91 1xm2 s ILE 100 Ca -0.03 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 1xm2 s ILE 100 Cb -0.05 -3.08 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 1xm2 s ILE 100 CO -0.01 0.37 0.69 0.00 0.00 0.00 0.00 174.94 175.99 1xm2 s ALA 101 N 1.21 3.46 0.01 9.38 0.00 -0.98 -1.99 121.76 132.85 1xm2 s ALA 101 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1xm2 s ALA 101 Cb -0.14 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1xm2 s ALA 101 CO 0.04 0.35 -0.04 0.08 0.00 0.00 0.00 175.76 176.19 1xm2 s VAL 102 N -1.47 0.26 -0.25 0.00 1.01 -0.01 -1.21 120.40 118.72 1xm2 s VAL 102 Ca 0.41 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1xm2 s VAL 102 Cb -0.17 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 35.99 1xm2 s VAL 102 CO 0.21 -0.12 0.67 -1.38 0.00 0.00 0.00 175.10 174.48 1xm2 s HIS 103 N -0.56 -0.76 0.00 5.22 -3.43 -0.98 -2.28 115.29 112.50 1xm2 s HIS 103 Ca -0.04 1.82 0.00 0.00 -0.80 0.00 0.00 55.06 56.04 1xm2 s HIS 103 Cb -0.04 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 1xm2 s HIS 103 CO -0.00 -0.36 0.00 -1.13 -2.00 0.00 0.00 174.74 171.24 1xm2 n SER 104 N 2.80 0.00 -0.10 7.38 3.41 -1.26 -2.25 113.62 123.60 1xm2 n SER 104 Ca -0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.33 1xm2 n SER 104 Cb 0.55 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 1xm2 n SER 104 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xm2 n VAL 105 N 0.00 1.49 0.01 -3.33 0.31 -1.26 -3.87 118.33 111.69 1xm2 n VAL 105 Ca 0.00 0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.42 1xm2 n VAL 105 Cb 0.00 -2.23 -0.11 0.00 -0.91 0.00 0.00 33.84 30.59 1xm2 n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xm2 n ALA 106 N -4.16 2.41 -1.00 3.52 0.00 -1.26 -4.10 120.51 115.92 1xm2 n ALA 106 Ca -0.23 -0.57 -0.00 0.00 0.00 0.00 0.00 53.44 52.64 1xm2 n ALA 106 Cb 0.56 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 1.33 0.41 0.00 0.00 0.00 -1.26 -4.92 105.19 100.75 1xm2 n GLY 107 Ca -0.08 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.00 0.34 0.00 0.99 4.77 -1.26 -4.55 117.00 117.29 1xm2 n LEU 108 Ca -0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1xm2 n LEU 108 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xm2 n LEU 108 CO 0.00 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1xm2 n GLY 109 N 1.50 0.71 0.34 -0.72 0.00 -1.26 -3.55 105.19 102.20 1xm2 n GLY 109 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.15 0.23 1.61 3.08 -1.93 -1.19 114.38 116.03 1xm2 h ARG 110 Ca 0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1xm2 h ARG 110 Cb 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1xm2 h ARG 110 CO 0.00 -0.10 -0.26 0.00 -1.07 0.00 0.00 179.97 178.55 1xm2 h ALA 111 N 1.05 -0.51 0.00 0.04 0.00 -1.89 -2.01 119.26 115.93 1xm2 h ALA 111 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xm2 h ALA 111 Cb 0.54 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xm2 h ALA 111 CO -0.67 -0.82 -0.06 -1.00 0.00 0.00 0.00 179.25 176.70 1xm2 h PRO 112 N -0.53 0.00 -0.38 0.00 0.13 -1.73 -2.54 132.00 126.94 1xm2 h PRO 112 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1xm2 h PRO 112 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1xm2 h PRO 112 CO -0.07 0.06 -0.05 0.28 -0.23 0.00 0.00 178.00 177.98 1xm2 h VAL 113 N 0.00 1.27 -0.37 1.56 2.07 -0.50 0.29 116.25 120.57 1xm2 h VAL 113 Ca -0.00 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1xm2 h VAL 113 Cb 0.24 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1xm2 h VAL 113 CO 0.01 0.37 0.06 -0.07 0.02 0.00 0.00 177.57 177.95 1xm2 h LEU 114 N 0.53 0.58 -0.79 2.57 3.38 -1.13 -1.20 115.31 119.24 1xm2 h LEU 114 Ca 0.10 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1xm2 h LEU 114 Cb 0.55 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1xm2 h LEU 114 CO 0.03 0.70 0.47 0.58 0.09 0.00 0.00 178.44 180.31 1xm2 h VAL 115 N 0.45 0.99 0.15 1.22 2.07 -1.27 -1.29 116.25 118.57 1xm2 h VAL 115 Ca 0.11 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1xm2 h VAL 115 Cb 0.37 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1xm2 h VAL 115 CO 0.01 0.15 -0.07 0.00 0.02 0.00 0.00 177.57 177.68 1xm2 h ALA 116 N 1.40 -0.20 -0.85 1.67 0.00 -0.01 -2.16 119.26 119.11 1xm2 h ALA 116 Ca 0.36 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.38 1xm2 h ALA 116 Cb 0.22 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 1xm2 h ALA 116 CO -0.19 -0.59 0.41 -0.07 0.00 0.00 0.00 179.25 178.80 1xm2 h LEU 117 N -0.23 0.44 0.16 0.00 3.38 -0.60 0.91 115.31 119.37 1xm2 h LEU 117 Ca -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xm2 h LEU 117 Cb 0.18 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xm2 h LEU 117 CO 0.03 0.15 -0.08 0.00 0.09 0.00 0.00 178.44 178.63 1xm2 h ALA 118 N 1.60 -0.21 -0.99 1.53 0.00 -0.97 -1.28 119.26 118.93 1xm2 h ALA 118 Ca 0.48 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.43 1xm2 h ALA 118 Cb 0.77 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1xm2 h ALA 118 CO -0.41 -0.62 0.64 -0.07 0.00 0.00 0.00 179.25 178.79 1xm2 h LEU 119 N -0.22 0.99 0.07 0.00 3.38 -0.48 0.56 115.31 119.62 1xm2 h LEU 119 Ca -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xm2 h LEU 119 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xm2 h LEU 119 CO 0.04 0.61 -0.03 0.40 0.09 0.00 0.00 178.44 179.54 1xm2 h ILE 120 N 1.11 1.10 0.00 1.22 2.04 -0.48 -0.70 117.51 121.79 1xm2 h ILE 120 Ca 0.45 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1xm2 h ILE 120 Cb 0.26 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1xm2 h ILE 120 CO -0.20 0.15 0.00 -0.62 0.00 0.00 0.00 178.15 177.48 1xm2 n GLU 121 N -5.01 0.13 0.00 2.37 -0.58 -0.52 -0.13 120.64 116.90 1xm2 n GLU 121 Ca -0.08 0.54 0.15 0.00 -0.42 0.00 0.00 57.16 57.34 1xm2 n GLU 121 Cb 0.17 -1.85 0.75 0.00 -0.57 0.00 0.00 31.44 29.94 1xm2 n GLU 121 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xm2 n GLY 122 N -0.87 -1.29 0.00 0.62 0.00 0.16 -5.06 105.19 98.74 1xm2 n GLY 122 Ca 0.00 -0.15 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 1.30 0.70 3.34 -0.02 0.00 0.81 -4.98 105.19 106.34 1xm2 n GLY 123 Ca 0.14 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.91 1.30 0.24 1.61 1.02 -1.26 -5.02 119.74 116.72 1xm2 s LYS 125 Ca 0.00 -1.25 -0.04 0.00 0.02 0.00 0.00 55.97 54.69 1xm2 s LYS 125 Cb 0.00 -1.68 0.41 0.00 -0.52 0.00 0.00 37.83 36.04 1xm2 s LYS 125 CO 0.00 0.40 1.79 0.10 -0.92 0.00 0.00 175.35 176.71 1xm2 h TYR 126 N 4.02 0.75 -0.66 3.18 -0.00 -1.96 -1.03 116.97 121.26 1xm2 h TYR 126 Ca -0.49 0.03 0.06 0.00 0.00 0.00 0.00 58.73 58.34 1xm2 h TYR 126 Cb 1.17 -0.22 -0.06 0.00 0.00 0.00 0.00 36.73 37.63 1xm2 h TYR 126 CO 0.60 0.26 0.36 0.93 -0.00 0.00 0.00 178.16 180.31 1xm2 h GLU 127 N 0.68 0.65 -0.31 0.10 3.07 -1.99 0.30 114.58 117.07 1xm2 h GLU 127 Ca 0.40 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1xm2 h GLU 127 Cb 0.45 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1xm2 h GLU 127 CO -0.29 0.43 0.19 -0.44 -1.40 0.00 0.00 179.01 177.50 1xm2 h ASP 128 N 0.67 0.36 -0.85 1.42 5.19 -1.68 -1.97 116.42 119.57 1xm2 h ASP 128 Ca 0.30 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 1xm2 h ASP 128 Cb 0.20 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.58 1xm2 h ASP 128 CO -0.19 0.30 0.44 0.00 -3.12 0.00 0.00 179.24 176.66 1xm2 h ALA 129 N 1.08 1.09 -0.47 3.45 0.00 -0.51 0.25 119.26 124.15 1xm2 h ALA 129 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xm2 h ALA 129 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1xm2 h ALA 129 CO -0.02 0.63 0.18 0.28 0.00 0.00 0.00 179.25 180.32 1xm2 h VAL 130 N 1.19 1.21 -0.28 0.00 2.07 -0.73 -1.87 116.25 117.84 1xm2 h VAL 130 Ca 0.29 -0.66 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1xm2 h VAL 130 Cb 0.07 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1xm2 h VAL 130 CO -0.04 0.25 -0.28 1.56 0.02 0.00 0.00 177.57 179.07 1xm2 h GLN 131 N 0.62 0.68 -0.71 1.57 1.08 -1.06 -2.15 115.11 115.15 1xm2 h GLN 131 Ca 0.16 -0.36 0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1xm2 h GLN 131 Cb 0.21 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.58 1xm2 h GLN 131 CO -0.01 0.97 0.36 0.35 -0.95 0.00 0.00 178.83 179.55 1xm2 h PHE 132 N 0.42 0.65 -0.02 2.96 3.57 -0.33 -1.96 116.94 122.24 1xm2 h PHE 132 Ca 0.04 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.34 1xm2 h PHE 132 Cb 0.85 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.41 1xm2 h PHE 132 CO 0.07 0.25 -0.95 0.82 -2.23 0.00 0.00 178.31 176.28 1xm2 h ILE 133 N 0.62 1.35 0.00 1.41 2.04 -1.33 -3.25 117.51 118.35 1xm2 h ILE 133 Ca 0.34 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.85 1xm2 h ILE 133 Cb 0.33 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1xm2 h ILE 133 CO -0.25 0.71 -0.11 0.03 0.00 0.00 0.00 178.15 178.52 1xm2 h ARG 134 N 0.31 0.00 0.00 2.37 3.08 -0.82 0.13 114.38 119.45 1xm2 h ARG 134 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1xm2 h ARG 134 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1xm2 h ARG 134 CO 0.17 0.11 0.00 0.37 -1.07 0.00 0.00 179.97 179.56 1xm2 h GLN 135 N 0.00 0.00 0.00 0.04 -0.00 -1.41 -2.96 115.11 110.78 1xm2 h GLN 135 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.57 1xm2 h GLN 135 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.81 1xm2 h GLN 135 CO 0.01 0.00 -1.64 1.63 0.00 0.00 0.00 178.83 178.84 1xm2 n LYS 136 N -2.44 1.09 -3.42 1.69 4.01 -0.06 -4.85 118.16 114.18 1xm2 n LYS 136 Ca 0.01 -0.07 -0.25 0.00 -0.51 0.00 0.00 58.31 57.49 1xm2 n LYS 136 Cb 0.21 -1.29 -0.10 0.00 -0.51 0.00 0.00 35.03 33.34 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 -2.61 0.61 0.00 1.97 6.06 0.24 -4.86 118.95 120.36 1xm2 s ARG 137 Ca -0.05 -1.26 0.00 0.00 -2.50 0.00 0.00 55.73 51.92 1xm2 s ARG 137 Cb 0.06 -1.12 0.00 0.00 0.06 0.00 0.00 34.95 33.95 1xm2 s ARG 137 CO 0.49 -1.22 0.06 -2.13 -2.50 0.00 0.00 175.30 169.99 1xm2 n ARG 138 N 3.98 0.00 -2.17 5.12 0.63 -1.19 -1.69 116.66 121.33 1xm2 n ARG 138 Ca 0.13 0.06 -0.40 0.00 -0.92 0.00 0.00 57.85 56.72 1xm2 n ARG 138 Cb 0.41 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.18 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 -0.47 5.37 0.02 5.14 0.00 -1.26 -4.81 105.19 109.18 1xm2 n GLY 139 Ca 0.00 -2.18 0.07 0.00 0.00 0.00 0.00 46.02 43.91 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 1.51 1.54 -2.95 4.61 0.00 -0.68 -4.83 120.51 119.71 1xm2 n ALA 140 Ca 0.57 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 1xm2 n ALA 140 Cb 0.26 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.05 -0.07 0.42 0.00 0.40 -1.23 -4.26 117.98 110.18 1xm2 s PHE 141 Ca 0.05 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 1xm2 s PHE 141 Cb 0.08 0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.66 1xm2 s PHE 141 CO 0.24 -0.51 0.34 0.54 0.70 0.00 0.00 175.22 176.53 1xm2 s ASN 142 N -2.18 4.94 0.26 1.36 2.20 -1.26 -4.95 114.94 115.30 1xm2 s ASN 142 Ca -0.04 -0.80 -0.02 0.00 -0.94 0.00 0.00 52.86 51.06 1xm2 s ASN 142 Cb -0.00 -0.56 0.51 0.00 -2.00 0.00 0.00 41.25 39.20 1xm2 s ASN 142 CO -0.05 -0.63 1.74 0.28 -2.94 0.00 0.00 177.10 175.50 1xm2 h SER 143 N 1.10 0.39 -0.46 3.54 0.02 -2.01 -0.71 113.55 115.41 1xm2 h SER 143 Ca -0.42 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1xm2 h SER 143 Cb 1.26 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 1xm2 h SER 143 CO 0.60 0.14 0.24 0.50 -1.14 0.00 0.00 176.83 177.17 1xm2 h LYS 144 N 0.51 0.65 -0.04 3.45 3.64 -1.96 -2.11 116.57 120.72 1xm2 h LYS 144 Ca 0.45 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 1xm2 h LYS 144 Cb 0.67 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1xm2 h LYS 144 CO -0.40 0.53 -0.32 1.96 -2.27 0.00 0.00 179.45 178.95 1xm2 h GLN 145 N 0.61 0.08 -0.25 1.90 4.20 -1.64 -1.88 115.11 118.13 1xm2 h GLN 145 Ca 0.16 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.65 1xm2 h GLN 145 Cb 0.07 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1xm2 h GLN 145 CO -0.02 0.40 -0.59 -0.07 -0.67 0.00 0.00 178.83 177.88 1xm2 h LEU 146 N 0.07 0.91 -1.06 1.46 3.38 -0.89 -2.41 115.31 116.78 1xm2 h LEU 146 Ca 0.01 -0.51 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1xm2 h LEU 146 Cb 0.61 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1xm2 h LEU 146 CO 0.04 1.30 -0.43 0.25 0.09 0.00 0.00 178.44 179.70 1xm2 h LEU 147 N 0.61 0.09 0.01 1.67 6.46 -1.11 -2.04 115.31 121.00 1xm2 h LEU 147 Ca 0.00 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1xm2 h LEU 147 Cb 1.19 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1xm2 h LEU 147 CO 0.13 0.51 -0.01 0.22 -0.62 0.00 0.00 178.44 178.67 1xm2 h TYR 148 N 0.07 -0.01 0.00 1.25 3.20 -1.19 -2.51 116.97 117.78 1xm2 h TYR 148 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1xm2 h TYR 148 Cb 0.79 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1xm2 h TYR 148 CO 0.01 0.26 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.63 1xm2 h LEU 149 N -0.29 0.00 0.05 2.82 3.38 -1.28 -1.96 115.31 118.03 1xm2 h LEU 149 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1xm2 h LEU 149 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.05 1xm2 h LEU 149 CO 0.00 0.09 -1.18 -0.08 0.09 0.00 0.00 178.44 177.36 1xm2 h GLU 150 N 0.00 0.48 -0.01 1.13 4.81 -1.19 -3.20 114.58 116.59 1xm2 h GLU 150 Ca -0.00 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 1xm2 h GLU 150 Cb 0.34 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1xm2 h GLU 150 CO 0.01 1.28 -0.05 1.63 -0.73 0.00 0.00 179.01 181.14 1xm2 n LYS 151 N -3.71 1.34 -2.35 1.92 5.02 -0.96 -4.89 118.16 114.53 1xm2 n LYS 151 Ca -0.11 -0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 55.08 1xm2 n LYS 151 Cb 0.96 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.46 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 -2.13 3.39 -0.35 2.13 5.04 -0.76 -5.01 117.35 119.66 1xm2 s TYR 152 Ca 0.36 1.30 -0.09 0.00 -2.44 0.00 0.00 57.07 56.20 1xm2 s TYR 152 Cb 0.21 -3.48 0.02 0.00 0.35 0.00 0.00 41.96 39.07 1xm2 s TYR 152 CO 0.39 -1.45 0.16 1.03 -1.34 0.00 0.00 175.55 174.34 1xm2 s ARG 153 N 0.34 2.86 -0.07 4.97 0.52 -1.26 -5.03 118.95 121.28 1xm2 s ARG 153 Ca 0.56 -1.04 -0.35 0.00 -0.52 0.00 0.00 55.73 54.39 1xm2 s ARG 153 Cb -0.33 -3.61 -0.12 0.00 0.52 0.00 0.00 34.95 31.41 1xm2 s ARG 153 CO 0.34 -0.64 1.82 -0.35 0.02 0.00 0.00 175.30 176.49 1xm2 n PRO 154 N 4.94 2.09 0.00 3.54 -0.04 -1.26 -5.13 135.00 139.14 1xm2 n PRO 154 Ca -0.12 0.76 0.16 0.00 -0.04 0.00 0.00 63.50 64.26 1xm2 n PRO 154 Cb 0.46 -2.59 0.93 0.00 -0.04 0.00 0.00 33.50 32.26 1xm2 n PRO 154 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09