#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm7 n ALA 0 N 0.00 -0.22 -2.54 5.41 0.00 -1.26 -4.92 120.51 116.97 1xm7 n ALA 0 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 1xm7 n ALA 0 Cb 0.00 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.13 1xm7 n ALA 0 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1xm7 s MET 1 N 3.56 1.98 -0.13 0.00 1.75 -1.26 -4.95 119.30 120.24 1xm7 s MET 1 Ca 0.99 -1.12 -0.03 0.00 -1.25 0.00 0.00 55.69 54.28 1xm7 s MET 1 Cb -1.09 -2.21 -0.03 0.00 2.84 0.00 0.00 34.83 34.34 1xm7 s MET 1 CO 0.67 0.49 -0.00 -1.64 -0.65 0.00 0.00 175.02 173.88 1xm7 s MET 2 N -2.26 3.40 0.14 4.11 -1.94 -1.26 -1.25 119.30 120.23 1xm7 s MET 2 Ca 0.20 -0.44 0.09 0.00 -1.71 0.00 0.00 55.69 53.84 1xm7 s MET 2 Cb -0.11 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 1xm7 s MET 2 CO 0.13 0.47 -0.21 0.71 -0.01 0.00 0.00 175.02 176.10 1xm7 s TYR 3 N -0.23 1.92 -0.02 -0.03 1.51 0.07 -1.37 117.35 119.20 1xm7 s TYR 3 Ca 0.05 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1xm7 s TYR 3 Cb -0.12 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1xm7 s TYR 3 CO 0.02 0.29 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.66 1xm7 s PHE 4 N -1.48 0.49 0.07 2.71 0.40 0.02 0.09 117.98 120.28 1xm7 s PHE 4 Ca 0.12 -0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.17 1xm7 s PHE 4 Cb -0.08 -0.39 0.04 0.00 0.51 0.00 0.00 43.02 43.09 1xm7 s PHE 4 CO 0.06 -0.07 0.43 -1.50 0.70 0.00 0.00 175.22 174.84 1xm7 s ILE 5 N 0.33 0.05 0.14 0.64 2.07 -0.46 0.68 121.20 124.66 1xm7 s ILE 5 Ca -0.04 -0.45 -0.25 0.00 -1.41 0.00 0.00 60.65 58.50 1xm7 s ILE 5 Cb -0.07 -1.02 0.07 0.00 0.13 0.00 0.00 42.46 41.57 1xm7 s ILE 5 CO -0.00 -0.25 0.84 -0.94 -1.91 0.00 0.00 174.94 172.68 1xm7 s SER 6 N -2.23 -0.30 -1.29 4.50 1.04 -0.67 -1.42 113.70 113.33 1xm7 s SER 6 Ca -0.03 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.08 1xm7 s SER 6 Cb -0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1xm7 s SER 6 CO -0.05 -0.93 1.01 0.47 0.98 0.00 0.00 173.24 174.72 1xm7 n ASP 7 N -0.40 -3.40 0.14 7.02 9.92 0.11 -1.67 116.55 128.28 1xm7 n ASP 7 Ca -0.08 -0.64 -0.01 0.00 -0.53 0.00 0.00 54.79 53.54 1xm7 n ASP 7 Cb 0.61 -4.86 0.22 0.00 -0.64 0.00 0.00 41.12 36.45 1xm7 n ASP 7 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1xm7 h THR 8 N -2.15 1.38 -6.65 -3.53 1.35 -1.68 -3.41 112.91 98.22 1xm7 h THR 8 Ca -0.59 -1.84 -0.53 0.00 -0.55 0.00 0.00 66.41 62.90 1xm7 h THR 8 Cb 1.35 1.98 -0.15 0.00 -1.73 0.00 0.00 68.15 69.61 1xm7 h THR 8 CO 0.54 0.53 -0.85 1.41 -0.25 0.00 0.00 175.52 176.89 1xm7 n HIS 9 N -3.90 -1.73 -1.66 4.73 8.25 -0.94 -4.83 115.22 115.14 1xm7 n HIS 9 Ca -0.01 0.78 -0.46 0.00 -0.26 0.00 0.00 57.72 57.77 1xm7 n HIS 9 Cb 0.55 -3.26 -0.04 0.00 1.12 0.00 0.00 29.99 28.36 1xm7 n HIS 9 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xm7 n PHE 10 N -4.42 2.14 -0.90 4.41 3.72 -0.85 -0.80 117.46 120.76 1xm7 n PHE 10 Ca -0.07 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 1xm7 n PHE 10 Cb 0.57 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.62 1xm7 n PHE 10 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xm7 n TYR 11 N 2.67 0.00 -2.16 1.38 4.02 -1.26 0.03 117.16 121.83 1xm7 n TYR 11 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 1xm7 n TYR 11 Cb 0.29 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 1xm7 n TYR 11 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1xm7 n HIS 12 N -2.25 3.04 -0.35 -0.72 -0.00 0.02 -4.76 115.22 110.19 1xm7 n HIS 12 Ca 0.00 -2.83 0.25 0.00 0.46 0.00 0.00 57.72 55.59 1xm7 n HIS 12 Cb 0.05 -2.09 0.51 0.00 -0.12 0.00 0.00 29.99 28.34 1xm7 n HIS 12 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1xm7 h GLU 13 N 5.74 0.34 0.00 1.57 4.81 -1.91 -0.77 114.58 124.36 1xm7 h GLU 13 Ca 0.46 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1xm7 h GLU 13 Cb 0.61 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1xm7 h GLU 13 CO 1.69 0.23 -0.01 -0.97 -0.73 0.00 0.00 179.01 179.22 1xm7 h ASN 14 N 0.35 0.00 0.46 1.04 -1.24 -1.98 -2.84 115.58 111.37 1xm7 h ASN 14 Ca 0.67 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.68 1xm7 h ASN 14 Cb 1.69 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.74 1xm7 h ASN 14 CO -0.41 0.01 0.00 0.00 -1.29 0.00 0.00 177.43 175.74 1xm7 n ILE 15 N -3.10 0.92 0.04 2.57 3.06 -0.30 -0.53 119.36 122.02 1xm7 n ILE 15 Ca 0.00 0.42 -0.05 0.00 -2.50 0.00 0.00 62.75 60.62 1xm7 n ILE 15 Cb 0.28 -1.37 0.15 0.00 0.54 0.00 0.00 39.64 39.24 1xm7 n ILE 15 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1xm7 h ILE 16 N 0.00 1.32 0.14 9.51 2.04 -1.68 -0.03 117.51 128.81 1xm7 h ILE 16 Ca 0.00 -1.61 -0.22 0.00 1.00 0.00 0.00 64.86 64.02 1xm7 h ILE 16 Cb 0.23 1.67 0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1xm7 h ILE 16 CO 0.00 0.49 -0.95 0.78 0.00 0.00 0.00 178.15 178.47 1xm7 h ASN 17 N 0.33 0.59 0.30 1.72 -0.26 -1.00 -2.90 115.58 114.35 1xm7 h ASN 17 Ca 0.02 -0.91 -0.09 0.00 -0.56 0.00 0.00 56.30 54.77 1xm7 h ASN 17 Cb 0.91 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.96 1xm7 h ASN 17 CO 0.08 1.45 -0.38 -0.07 -1.06 0.00 0.00 177.43 177.45 1xm7 h LEU 18 N -0.17 0.11 -5.66 1.61 3.38 -1.09 -3.27 115.31 110.22 1xm7 h LEU 18 Ca -0.16 -0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.25 1xm7 h LEU 18 Cb 1.72 -0.03 -0.41 0.00 0.09 0.00 0.00 40.66 42.04 1xm7 h LEU 18 CO 0.18 0.48 -0.96 0.59 0.09 0.00 0.00 178.44 178.82 1xm7 n ASN 19 N -4.07 2.42 -0.32 -0.43 3.02 -0.04 -4.91 115.26 110.93 1xm7 n ASN 19 Ca -0.02 -3.29 0.17 0.00 -0.03 0.00 0.00 54.58 51.41 1xm7 n ASN 19 Cb 0.43 -0.59 0.36 0.00 -0.61 0.00 0.00 39.78 39.37 1xm7 n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xm7 h PRO 20 N 2.98 0.42 -0.36 3.52 0.11 -1.57 0.12 132.00 137.22 1xm7 h PRO 20 Ca 0.11 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.24 1xm7 h PRO 20 Cb 0.78 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.72 1xm7 h PRO 20 CO 0.64 0.28 -0.54 0.93 -0.21 0.00 0.00 178.00 179.09 1xm7 h GLU 21 N 0.43 -0.41 0.00 1.05 4.39 -1.91 -3.36 114.58 114.78 1xm7 h GLU 21 Ca 0.62 0.03 -0.40 0.00 0.34 0.00 0.00 59.36 59.95 1xm7 h GLU 21 Cb 1.24 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.91 1xm7 h GLU 21 CO -0.54 -0.27 -2.49 1.33 -1.16 0.00 0.00 179.01 175.88 1xm7 n VAL 22 N -5.39 1.50 -2.58 3.13 0.24 -0.53 -4.98 118.33 109.71 1xm7 n VAL 22 Ca -0.04 -0.55 -0.39 0.00 -2.04 0.00 0.00 64.34 61.33 1xm7 n VAL 22 Cb 0.35 -1.48 -0.05 0.00 -1.47 0.00 0.00 33.84 31.19 1xm7 n VAL 22 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xm7 s ARG 23 N -2.52 4.56 0.06 7.34 1.81 0.29 -5.05 118.95 125.44 1xm7 s ARG 23 Ca -0.35 1.62 -0.09 0.00 -1.72 0.00 0.00 55.73 55.19 1xm7 s ARG 23 Cb 0.10 -3.00 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 1xm7 s ARG 23 CO 0.59 0.19 0.19 -0.59 -0.68 0.00 0.00 175.30 175.00 1xm7 s PHE 24 N -1.34 0.10 0.28 -0.53 -0.12 -1.26 -4.55 117.98 110.56 1xm7 s PHE 24 Ca 0.48 -0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 56.63 1xm7 s PHE 24 Cb -0.27 -0.04 -0.12 0.00 -0.63 0.00 0.00 43.02 41.96 1xm7 s PHE 24 CO 0.34 -0.49 1.55 1.17 -0.05 0.00 0.00 175.22 177.74 1xm7 n LYS 25 N 0.32 2.53 -1.39 1.99 4.81 -1.26 -2.71 118.16 122.45 1xm7 n LYS 25 Ca -0.17 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1xm7 n LYS 25 Cb 0.61 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 33.01 1xm7 n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xm7 n GLY 26 N 2.17 0.66 0.19 3.14 0.00 -1.26 -4.96 105.19 105.13 1xm7 n GLY 26 Ca 0.09 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1xm7 n GLY 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1xm7 h PHE 27 N 0.00 0.00 -0.27 1.61 -5.15 -1.96 -3.09 116.94 108.08 1xm7 h PHE 27 Ca 0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 1xm7 h PHE 27 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.75 1xm7 h PHE 27 CO 0.00 0.24 0.07 0.93 -2.00 0.00 0.00 178.31 177.55 1xm7 h GLU 28 N 0.00 0.44 -0.85 6.09 3.07 -1.92 -1.24 114.58 120.16 1xm7 h GLU 28 Ca -0.00 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1xm7 h GLU 28 Cb 1.12 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.93 1xm7 h GLU 28 CO 0.03 0.52 0.50 0.82 -1.40 0.00 0.00 179.01 179.48 1xm7 h ILE 29 N 0.27 1.24 -0.39 3.13 5.03 -1.97 -0.52 117.51 124.29 1xm7 h ILE 29 Ca 0.09 -0.54 -0.06 0.00 -0.12 0.00 0.00 64.86 64.23 1xm7 h ILE 29 Cb 0.28 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 34.11 1xm7 h ILE 29 CO 0.00 0.25 0.01 0.58 -0.68 0.00 0.00 178.15 178.31 1xm7 h VAL 30 N 1.17 1.26 0.15 1.67 2.07 -1.41 -0.53 116.25 120.63 1xm7 h VAL 30 Ca 0.30 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1xm7 h VAL 30 Cb -0.03 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1xm7 h VAL 30 CO -0.06 0.33 -0.07 0.40 0.02 0.00 0.00 177.57 178.19 1xm7 h ILE 31 N 0.51 0.92 -0.30 4.57 2.04 -0.87 -1.74 117.51 122.65 1xm7 h ILE 31 Ca 0.11 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1xm7 h ILE 31 Cb 0.46 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1xm7 h ILE 31 CO 0.02 0.07 0.20 -0.07 0.00 0.00 0.00 178.15 178.37 1xm7 h LEU 32 N -0.35 0.26 0.09 1.44 3.38 -1.08 -2.17 115.31 116.88 1xm7 h LEU 32 Ca -0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xm7 h LEU 32 Cb 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xm7 h LEU 32 CO 0.03 0.18 -0.04 0.74 0.09 0.00 0.00 178.44 179.45 1xm7 h THR 33 N 0.31 1.13 0.00 0.22 2.02 -0.83 -0.70 112.91 115.06 1xm7 h THR 33 Ca 0.12 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 1xm7 h THR 33 Cb 0.11 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1xm7 h THR 33 CO -0.03 0.20 -0.02 0.78 0.37 0.00 0.00 175.52 176.83 1xm7 h ASN 34 N -0.50 0.00 0.38 4.18 -0.26 -0.86 -0.38 115.58 118.14 1xm7 h ASN 34 Ca -0.01 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.41 1xm7 h ASN 34 Cb 0.42 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1xm7 h ASN 34 CO 0.02 0.02 -1.62 -0.07 -1.06 0.00 0.00 177.43 174.72 1xm7 h LEU 35 N 0.00 0.42 -0.18 1.61 3.38 -1.30 -3.36 115.31 115.89 1xm7 h LEU 35 Ca -0.00 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.38 1xm7 h LEU 35 Cb 0.11 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1xm7 h LEU 35 CO 0.00 1.53 -0.07 0.25 0.09 0.00 0.00 178.44 180.24 1xm7 h LEU 36 N 0.07 -0.23 -5.42 1.67 6.46 0.50 -2.41 115.31 115.94 1xm7 h LEU 36 Ca -0.28 0.06 -0.69 0.00 -0.12 0.00 0.00 57.88 56.85 1xm7 h LEU 36 Cb 2.04 0.14 -0.13 0.00 -0.73 0.00 0.00 40.66 41.98 1xm7 h LEU 36 CO 0.16 -0.09 2.11 2.29 -0.62 0.00 0.00 178.44 182.29 1xm7 n LYS 37 N -5.21 4.20 0.01 1.25 2.85 -0.81 -4.05 118.16 116.39 1xm7 n LYS 37 Ca -0.03 -3.21 0.00 0.00 -1.05 0.00 0.00 58.31 54.02 1xm7 n LYS 37 Cb 0.14 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 31.97 1xm7 n LYS 37 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1xm7 n VAL 38 N 1.66 0.00 -1.89 0.58 0.31 -1.16 -5.01 118.33 112.81 1xm7 n VAL 38 Ca 0.61 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.53 1xm7 n VAL 38 Cb 0.30 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.23 1xm7 n VAL 38 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xm7 s LEU 39 N -4.75 4.34 0.19 7.52 1.43 -0.92 -5.03 118.68 121.46 1xm7 s LEU 39 Ca 0.00 2.94 0.07 0.00 -1.03 0.00 0.00 54.13 56.11 1xm7 s LEU 39 Cb 0.00 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1xm7 s LEU 39 CO 0.00 -0.79 -0.13 -0.54 0.23 0.00 0.00 176.35 175.12 1xm7 s LYS 40 N -2.03 1.26 0.40 1.70 -0.14 -1.26 -4.83 119.74 114.84 1xm7 s LYS 40 Ca 0.52 -1.56 0.19 0.00 -1.36 0.00 0.00 55.97 53.77 1xm7 s LYS 40 Cb -0.44 -0.98 1.13 0.00 -1.68 0.00 0.00 37.83 35.86 1xm7 s LYS 40 CO 0.60 0.15 1.75 -1.35 -0.76 0.00 0.00 175.35 175.74 1xm7 h PRO 41 N 2.61 0.35 -0.06 -1.68 0.11 -1.95 -1.36 132.00 130.02 1xm7 h PRO 41 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xm7 h PRO 41 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xm7 h PRO 41 CO 0.63 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 177.80 1xm7 n GLU 42 N -4.65 1.74 -1.85 1.05 0.00 -1.26 -3.53 120.64 112.14 1xm7 n GLU 42 Ca 0.27 -1.09 -0.29 0.00 0.00 0.00 0.00 57.16 56.05 1xm7 n GLU 42 Cb 0.94 -1.46 0.14 0.00 0.00 0.00 0.00 31.44 31.06 1xm7 n GLU 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1xm7 s ASP 43 N -1.89 3.70 -0.06 -1.84 -0.00 -0.52 -4.39 116.67 111.67 1xm7 s ASP 43 Ca 0.36 0.57 -0.02 0.00 -0.00 0.00 0.00 52.55 53.46 1xm7 s ASP 43 Cb 0.20 -0.87 0.04 0.00 -0.00 0.00 0.00 42.92 42.29 1xm7 s ASP 43 CO 0.32 -2.40 0.11 -0.89 -0.00 0.00 0.00 175.17 172.31 1xm7 s THR 44 N -3.66 -0.13 -0.21 -1.27 2.01 -0.38 -1.15 115.64 110.86 1xm7 s THR 44 Ca 0.68 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.90 1xm7 s THR 44 Cb -0.08 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1xm7 s THR 44 CO 0.51 0.12 0.04 -0.22 -0.69 0.00 0.00 174.62 174.38 1xm7 s LEU 45 N 1.69 3.46 -0.26 4.42 2.96 0.40 -0.75 118.68 130.59 1xm7 s LEU 45 Ca -0.03 -0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 1xm7 s LEU 45 Cb -0.12 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1xm7 s LEU 45 CO -0.05 0.07 0.16 -0.31 -1.32 0.00 0.00 176.35 174.90 1xm7 s TYR 46 N 1.00 3.22 -0.32 5.38 1.51 0.11 -1.92 117.35 126.33 1xm7 s TYR 46 Ca 0.03 0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.03 1xm7 s TYR 46 Cb -0.14 -2.31 -0.00 0.00 -0.11 0.00 0.00 41.96 39.39 1xm7 s TYR 46 CO 0.02 -0.13 0.17 -1.58 -1.11 0.00 0.00 175.55 172.93 1xm7 s HIS 47 N 1.50 3.19 -0.45 2.71 2.46 -0.58 -1.36 115.29 122.77 1xm7 s HIS 47 Ca 0.07 -0.59 0.01 0.00 0.47 0.00 0.00 55.06 55.02 1xm7 s HIS 47 Cb -0.15 -2.38 0.48 0.00 -0.13 0.00 0.00 32.58 30.40 1xm7 s HIS 47 CO 0.08 -0.47 1.87 1.28 -2.47 0.00 0.00 174.74 175.03 1xm7 n LEU 48 N 5.00 6.60 0.00 8.88 4.77 -0.51 -0.64 117.00 141.09 1xm7 n LEU 48 Ca -0.13 -3.54 0.00 0.00 -0.03 0.00 0.00 56.01 52.31 1xm7 n LEU 48 Cb 0.49 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1xm7 n LEU 48 CO 0.35 1.13 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 1xm7 n GLY 49 N -0.71 3.98 3.38 -0.72 0.00 -0.59 -3.80 105.19 106.72 1xm7 n GLY 49 Ca 0.51 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 1xm7 n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xm7 n ASP 50 N 0.00 -6.48 0.00 1.61 10.43 -1.26 0.09 116.55 120.93 1xm7 n ASP 50 Ca 0.00 -0.57 0.00 0.00 2.57 0.00 0.00 54.79 56.79 1xm7 n ASP 50 Cb 0.00 -4.17 0.00 0.00 1.84 0.00 0.00 41.12 38.79 1xm7 n ASP 50 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1xm7 n PHE 51 N -2.77 0.00 -4.37 1.24 7.35 -1.26 -2.20 117.46 115.45 1xm7 n PHE 51 Ca -0.09 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.35 1xm7 n PHE 51 Cb 0.58 -0.39 -0.13 0.00 0.35 0.00 0.00 39.48 39.89 1xm7 n PHE 51 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1xm7 s THR 52 N -1.99 1.73 0.18 -2.13 -1.32 -1.26 -2.01 115.64 108.84 1xm7 s THR 52 Ca 0.00 -1.48 0.07 0.00 -1.21 0.00 0.00 61.69 59.07 1xm7 s THR 52 Cb 0.00 -1.55 -0.14 0.00 -1.51 0.00 0.00 72.50 69.30 1xm7 s THR 52 CO 0.00 0.01 1.41 -0.25 -2.21 0.00 0.00 174.62 173.58 1xm7 h TRP 53 N 4.25 0.07 -2.91 9.09 -0.00 -0.66 -3.46 115.95 122.34 1xm7 h TRP 53 Ca -0.46 -0.04 0.07 0.00 -0.00 0.00 0.00 58.89 58.46 1xm7 h TRP 53 Cb 1.17 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 30.29 1xm7 h TRP 53 CO 0.59 0.87 0.28 -3.38 -0.00 0.00 0.00 178.44 176.80 1xm7 s HIS 54 N -3.12 -0.10 -1.49 2.65 -3.43 -1.26 -5.00 115.29 103.53 1xm7 s HIS 54 Ca -0.01 -0.39 0.19 0.00 -0.80 0.00 0.00 55.06 54.05 1xm7 s HIS 54 Cb 0.11 0.73 0.57 0.00 -1.43 0.00 0.00 32.58 32.56 1xm7 s HIS 54 CO 0.80 -1.26 1.48 1.19 -2.00 0.00 0.00 174.74 174.96 1xm7 n PHE 55 N -0.49 0.94 -2.58 0.38 3.01 -1.26 -4.79 117.46 112.67 1xm7 n PHE 55 Ca -0.05 -0.53 -0.42 0.00 1.01 0.00 0.00 57.45 57.46 1xm7 n PHE 55 Cb 0.59 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.98 1xm7 n PHE 55 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1xm7 s ASN 56 N -1.02 6.63 -0.33 4.37 3.04 -1.26 -4.85 114.94 121.52 1xm7 s ASN 56 Ca 0.43 -1.83 -0.04 0.00 0.04 0.00 0.00 52.86 51.45 1xm7 s ASN 56 Cb 0.24 -2.57 -0.12 0.00 -1.54 0.00 0.00 41.25 37.26 1xm7 s ASN 56 CO 0.27 -1.37 2.24 -0.67 -3.04 0.00 0.00 177.10 174.52 1xm7 n ASP 57 N 8.60 3.71 0.24 -4.21 4.64 -1.26 -4.63 116.55 123.64 1xm7 n ASP 57 Ca 0.38 -2.15 0.11 0.00 -1.38 0.00 0.00 54.79 51.75 1xm7 n ASP 57 Cb 0.49 -0.92 0.71 0.00 -1.04 0.00 0.00 41.12 40.37 1xm7 n ASP 57 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1xm7 h LYS 58 N 4.98 0.00 -0.62 -0.67 2.10 -1.99 -2.62 116.57 117.76 1xm7 h LYS 58 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1xm7 h LYS 58 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1xm7 h LYS 58 CO 0.73 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.27 1xm7 n ASN 59 N -4.34 3.66 0.00 7.07 3.02 -1.26 -4.95 115.26 118.45 1xm7 n ASN 59 Ca -0.01 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1xm7 n ASN 59 Cb 0.16 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1xm7 n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xm7 n GLU 60 N 1.29 -0.26 -0.15 3.52 -0.58 -0.99 -4.90 120.64 118.57 1xm7 n GLU 60 Ca 0.21 0.07 -0.02 0.00 -0.42 0.00 0.00 57.16 56.99 1xm7 n GLU 60 Cb 0.57 -3.33 0.06 0.00 -0.57 0.00 0.00 31.44 28.17 1xm7 n GLU 60 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1xm7 h TYR 61 N 0.00 -0.00 -0.34 -0.32 0.05 -1.93 0.21 116.97 114.63 1xm7 h TYR 61 Ca 0.00 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.65 1xm7 h TYR 61 Cb 0.13 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1xm7 h TYR 61 CO 0.08 -0.09 -0.43 -0.07 -1.05 0.00 0.00 178.16 176.60 1xm7 h LEU 62 N 0.13 0.94 -0.70 3.88 3.38 -1.90 -0.53 115.31 120.51 1xm7 h LEU 62 Ca 0.25 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1xm7 h LEU 62 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1xm7 h LEU 62 CO -0.39 1.24 0.34 -0.09 0.09 0.00 0.00 178.44 179.62 1xm7 h ARG 63 N 0.70 1.01 -0.06 1.13 2.43 -1.79 -0.32 114.38 117.49 1xm7 h ARG 63 Ca 0.05 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1xm7 h ARG 63 Cb 1.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1xm7 h ARG 63 CO 0.10 0.80 0.03 0.82 -1.51 0.00 0.00 179.97 180.21 1xm7 h ILE 64 N 0.98 1.11 -0.51 1.20 2.04 -0.42 -1.42 117.51 120.50 1xm7 h ILE 64 Ca 0.24 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1xm7 h ILE 64 Cb 0.12 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1xm7 h ILE 64 CO -0.03 0.09 0.10 -0.25 0.00 0.00 0.00 178.15 178.06 1xm7 h TRP 65 N -0.02 0.16 -1.00 1.37 2.91 -0.73 -0.86 115.95 117.78 1xm7 h TRP 65 Ca 0.02 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.14 1xm7 h TRP 65 Cb 0.12 0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 28.71 1xm7 h TRP 65 CO -0.03 -0.01 0.65 -0.22 -1.03 0.00 0.00 178.44 177.79 1xm7 h LYS 66 N 0.23 1.14 0.00 2.65 3.64 -0.74 -2.04 116.57 121.44 1xm7 h LYS 66 Ca 0.25 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1xm7 h LYS 66 Cb 0.35 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1xm7 h LYS 66 CO -0.33 0.75 -0.31 0.00 -2.27 0.00 0.00 179.45 177.29 1xm7 h ALA 67 N 1.46 1.31 -2.26 5.00 0.00 -0.06 -3.45 119.26 121.25 1xm7 h ALA 67 Ca 0.43 -0.28 -0.59 0.00 0.00 0.00 0.00 54.91 54.46 1xm7 h ALA 67 Cb 0.16 -0.05 0.14 0.00 0.00 0.00 0.00 17.79 18.05 1xm7 h ALA 67 CO -0.17 0.39 -0.13 1.28 0.00 0.00 0.00 179.25 180.62 1xm7 n LEU 68 N -3.92 1.36 -4.82 0.00 4.77 -0.77 -4.97 117.00 108.66 1xm7 n LEU 68 Ca -0.02 0.94 -0.29 0.00 -0.03 0.00 0.00 56.01 56.62 1xm7 n LEU 68 Cb 0.38 -1.23 0.13 0.00 -2.33 0.00 0.00 43.42 40.37 1xm7 n LEU 68 CO 0.37 -2.25 0.74 -2.16 -1.33 0.00 0.00 177.39 172.75 1xm7 s PRO 69 N -1.87 1.20 0.00 3.23 0.04 -1.26 -4.97 135.00 131.37 1xm7 s PRO 69 Ca 0.65 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1xm7 s PRO 69 Cb -0.56 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1xm7 s PRO 69 CO 0.56 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1xm7 n GLY 70 N -2.56 -0.58 3.80 0.56 0.00 -1.17 -4.68 105.19 100.57 1xm7 n GLY 70 Ca 0.08 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 1xm7 n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xm7 s ARG 71 N -2.36 4.37 -0.10 1.61 3.52 -0.30 -4.93 118.95 120.75 1xm7 s ARG 71 Ca 0.00 1.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 1xm7 s ARG 71 Cb 0.00 -2.79 0.02 0.00 -1.56 0.00 0.00 34.95 30.62 1xm7 s ARG 71 CO 0.00 0.32 -0.10 0.15 -0.81 0.00 0.00 175.30 174.86 1xm7 s LYS 72 N -2.11 1.66 0.07 5.12 1.02 -1.26 -0.46 119.74 123.78 1xm7 s LYS 72 Ca 0.47 -0.34 0.07 0.00 0.02 0.00 0.00 55.97 56.19 1xm7 s LYS 72 Cb -0.17 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1xm7 s LYS 72 CO 0.21 -0.17 -0.19 0.96 -0.92 0.00 0.00 175.35 175.25 1xm7 s ILE 73 N 1.34 1.50 0.05 2.17 -5.25 -0.81 0.83 121.20 121.03 1xm7 s ILE 73 Ca -0.02 -1.32 0.09 0.00 -0.99 0.00 0.00 60.65 58.42 1xm7 s ILE 73 Cb -0.14 -1.36 -0.03 0.00 2.95 0.00 0.00 42.46 43.89 1xm7 s ILE 73 CO -0.05 -0.00 -0.26 -0.22 -1.79 0.00 0.00 174.94 172.62 1xm7 s LEU 74 N -1.55 2.18 -0.27 0.37 2.96 0.54 -1.52 118.68 121.38 1xm7 s LEU 74 Ca 0.05 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1xm7 s LEU 74 Cb -0.09 -1.25 0.07 0.00 0.50 0.00 0.00 46.19 45.41 1xm7 s LEU 74 CO 0.03 0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.53 1xm7 s VAL 75 N -0.82 2.21 0.20 1.68 1.01 0.18 -0.36 120.40 124.52 1xm7 s VAL 75 Ca 0.11 -1.74 -0.32 0.00 0.00 0.00 0.00 61.98 60.03 1xm7 s VAL 75 Cb -0.10 -2.36 -0.14 0.00 0.00 0.00 0.00 36.38 33.79 1xm7 s VAL 75 CO 0.02 -0.12 1.47 0.23 0.00 0.00 0.00 175.10 176.70 1xm7 n MET 76 N 4.41 2.05 -3.23 2.72 0.00 -0.76 -1.54 117.12 120.77 1xm7 n MET 76 Ca -0.11 0.73 -0.21 0.00 0.00 0.00 0.00 57.70 58.10 1xm7 n MET 76 Cb 0.42 -2.43 0.05 0.00 0.00 0.00 0.00 33.22 31.26 1xm7 n MET 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1xm7 s GLY 77 N 0.53 1.84 0.45 3.03 0.00 -1.26 -4.62 107.32 107.29 1xm7 s GLY 77 Ca 0.73 -1.99 0.16 0.00 0.00 0.00 0.00 44.72 43.61 1xm7 s GLY 77 CO 0.45 -1.77 1.99 -0.57 0.00 0.00 0.00 173.10 173.20 1xm7 h ASN 78 N 0.23 0.00 0.84 1.64 -0.00 -1.96 -2.54 115.58 113.80 1xm7 h ASN 78 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.00 1xm7 h ASN 78 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 1xm7 h ASN 78 CO 0.44 0.19 -0.44 1.57 -0.00 0.00 0.00 177.43 179.19 1xm7 n HIS 79 N -4.24 0.37 -2.49 0.67 -0.00 -1.26 -4.66 115.22 103.60 1xm7 n HIS 79 Ca -0.02 0.11 -0.40 0.00 0.46 0.00 0.00 57.72 57.86 1xm7 n HIS 79 Cb 0.25 -0.55 -0.03 0.00 -0.12 0.00 0.00 29.99 29.54 1xm7 n HIS 79 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1xm7 s ASP 80 N -3.75 6.17 -0.21 0.26 -0.00 -0.96 -4.81 116.67 113.38 1xm7 s ASP 80 Ca 0.09 -0.77 -0.05 0.00 -0.00 0.00 0.00 52.55 51.82 1xm7 s ASP 80 Cb 0.15 -2.56 -0.11 0.00 -0.00 0.00 0.00 42.92 40.40 1xm7 s ASP 80 CO 0.68 -1.80 -0.23 2.29 -0.00 0.00 0.00 175.17 176.10 1xm7 n LYS 81 N 9.17 0.47 -2.71 8.23 2.85 -1.26 -4.67 118.16 130.24 1xm7 n LYS 81 Ca 0.17 0.16 -0.42 0.00 -1.05 0.00 0.00 58.31 57.17 1xm7 n LYS 81 Cb 0.50 -1.32 -0.03 0.00 -0.65 0.00 0.00 35.03 33.52 1xm7 n LYS 81 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1xm7 s ASP 82 N -6.49 6.17 0.32 -5.58 -1.08 -1.26 -4.88 116.67 103.87 1xm7 s ASP 82 Ca -0.29 -0.72 0.09 0.00 -0.52 0.00 0.00 52.55 51.12 1xm7 s ASP 82 Cb 0.10 -2.49 0.56 0.00 -1.46 0.00 0.00 42.92 39.63 1xm7 s ASP 82 CO 0.41 -1.63 1.75 0.50 0.52 0.00 0.00 175.17 176.73 1xm7 h LYS 83 N 9.78 0.14 -0.49 4.34 3.64 -1.99 -2.61 116.57 129.38 1xm7 h LYS 83 Ca -0.28 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 58.91 1xm7 h LYS 83 Cb 1.06 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1xm7 h LYS 83 CO 1.23 0.52 -0.20 0.93 -2.27 0.00 0.00 179.45 179.66 1xm7 h GLU 84 N 0.12 1.00 -0.28 1.90 4.39 -2.00 0.34 114.58 120.04 1xm7 h GLU 84 Ca 0.01 -0.41 -0.12 0.00 0.34 0.00 0.00 59.36 59.17 1xm7 h GLU 84 Cb 0.76 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1xm7 h GLU 84 CO 0.06 1.09 -0.34 0.77 -1.16 0.00 0.00 179.01 179.43 1xm7 h SER 85 N 0.86 0.63 0.32 1.42 0.02 -1.96 -3.14 113.55 111.71 1xm7 h SER 85 Ca 0.12 -0.26 -0.16 0.00 -0.84 0.00 0.00 61.79 60.64 1xm7 h SER 85 Cb 0.77 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1xm7 h SER 85 CO 0.06 0.92 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.94 1xm7 h LEU 86 N 0.51 0.37 -1.86 5.07 3.38 -1.22 -3.33 115.31 118.22 1xm7 h LEU 86 Ca 0.06 -0.23 0.41 0.00 0.09 0.00 0.00 57.88 58.21 1xm7 h LEU 86 Cb 0.83 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1xm7 h LEU 86 CO 0.07 0.93 1.11 0.11 0.09 0.00 0.00 178.44 180.74 1xm7 h LYS 87 N 0.22 0.00 -0.62 1.13 1.57 -0.88 0.23 116.57 118.23 1xm7 h LYS 87 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xm7 h LYS 87 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1xm7 h LYS 87 CO 0.11 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.14 1xm7 n GLU 88 N -3.91 4.48 0.00 3.15 0.28 -1.25 -3.68 120.64 119.71 1xm7 n GLU 88 Ca 0.32 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.42 1xm7 n GLU 88 Cb 1.55 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 32.26 1xm7 n GLU 88 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1xm7 n TYR 89 N 0.66 0.00 -4.03 -1.84 4.01 0.79 -4.96 117.16 111.79 1xm7 n TYR 89 Ca 0.26 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.91 1xm7 n TYR 89 Cb 1.09 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 40.02 1xm7 n TYR 89 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1xm7 s PHE 90 N -0.75 0.38 -0.08 -0.72 0.08 -1.17 -4.88 117.98 110.84 1xm7 s PHE 90 Ca 0.00 -0.78 0.12 0.00 0.12 0.00 0.00 56.93 56.39 1xm7 s PHE 90 Cb 0.00 -0.28 -0.24 0.00 -0.57 0.00 0.00 43.02 41.93 1xm7 s PHE 90 CO 0.00 -0.28 0.51 -0.25 -0.10 0.00 0.00 175.22 175.11 1xm7 n ASP 91 N 0.92 0.81 -3.92 1.36 9.92 0.24 -4.77 116.55 121.12 1xm7 n ASP 91 Ca -0.19 0.31 -0.15 0.00 -0.53 0.00 0.00 54.79 54.23 1xm7 n ASP 91 Cb 0.58 0.08 -0.14 0.00 -0.64 0.00 0.00 41.12 40.99 1xm7 n ASP 91 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1xm7 s GLU 92 N -2.57 0.29 -0.06 -1.24 2.02 -1.18 -5.03 118.70 110.92 1xm7 s GLU 92 Ca -0.07 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 54.81 1xm7 s GLU 92 Cb 0.08 -0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.04 1xm7 s GLU 92 CO 0.82 0.06 -0.06 0.42 0.02 0.00 0.00 175.26 176.52 1xm7 s ILE 93 N -0.02 0.70 -0.19 -1.63 1.01 -1.26 -0.34 121.20 119.48 1xm7 s ILE 93 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 1xm7 s ILE 93 Cb -0.02 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.74 1xm7 s ILE 93 CO -0.00 0.27 -0.14 -0.31 0.00 0.00 0.00 174.94 174.76 1xm7 s TYR 94 N 1.07 2.83 -0.34 3.97 2.02 0.52 -4.97 117.35 122.45 1xm7 s TYR 94 Ca -0.08 -1.30 0.24 0.00 -0.37 0.00 0.00 57.07 55.56 1xm7 s TYR 94 Cb -0.14 -1.96 1.09 0.00 -0.40 0.00 0.00 41.96 40.54 1xm7 s TYR 94 CO -0.01 -0.65 1.72 0.38 -1.57 0.00 0.00 175.55 175.42 1xm7 h ASP 95 N 7.83 0.00 0.00 2.29 2.03 -1.93 -2.01 116.42 124.63 1xm7 h ASP 95 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1xm7 h ASP 95 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1xm7 h ASP 95 CO 0.61 0.00 0.00 0.33 -1.03 0.00 0.00 179.24 179.15 1xm7 n PHE 96 N -2.29 -0.06 -3.92 4.15 -0.00 -1.26 -4.41 117.46 109.66 1xm7 n PHE 96 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.37 1xm7 n PHE 96 Cb 0.16 0.06 -0.02 0.00 -0.00 0.00 0.00 39.48 39.68 1xm7 n PHE 96 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.76 178.28 1xm7 s TYR 97 N -1.11 0.21 -0.23 -5.13 1.13 -1.26 -4.30 117.35 106.66 1xm7 s TYR 97 Ca 0.00 -0.67 -0.17 0.00 -1.41 0.00 0.00 57.07 54.82 1xm7 s TYR 97 Cb 0.00 0.48 0.06 0.00 -1.10 0.00 0.00 41.96 41.40 1xm7 s TYR 97 CO 0.00 -1.23 0.58 0.21 -2.51 0.00 0.00 175.55 172.60 1xm7 s LYS 98 N -3.46 0.63 -0.13 -3.49 2.36 -0.15 -4.86 119.74 110.65 1xm7 s LYS 98 Ca 0.18 0.91 -0.01 0.00 -2.55 0.00 0.00 55.97 54.50 1xm7 s LYS 98 Cb -0.03 0.22 -0.02 0.00 -1.05 0.00 0.00 37.83 36.94 1xm7 s LYS 98 CO 0.10 -0.11 -0.08 0.42 1.55 0.00 0.00 175.35 177.23 1xm7 s ILE 99 N 0.84 3.55 0.12 5.43 1.01 -1.26 -0.31 121.20 130.58 1xm7 s ILE 99 Ca -0.04 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1xm7 s ILE 99 Cb -0.05 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1xm7 s ILE 99 CO -0.07 0.53 -0.10 0.27 0.00 0.00 0.00 174.94 175.57 1xm7 s ILE 100 N 0.11 1.02 -0.11 2.92 -4.36 0.03 -4.98 121.20 115.82 1xm7 s ILE 100 Ca -0.03 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1xm7 s ILE 100 Cb -0.14 -1.65 -0.00 0.00 1.25 0.00 0.00 42.46 41.92 1xm7 s ILE 100 CO 0.04 -0.70 -0.22 -1.61 0.24 0.00 0.00 174.94 172.69 1xm7 s GLU 101 N -3.41 3.12 -0.10 0.37 2.02 -1.26 0.12 118.70 119.55 1xm7 s GLU 101 Ca 0.12 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.28 1xm7 s GLU 101 Cb 0.01 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.88 1xm7 s GLU 101 CO -0.00 0.17 -0.10 -1.58 0.02 0.00 0.00 175.26 173.77 1xm7 s HIS 102 N 0.38 1.57 -1.11 1.61 2.46 0.49 -4.84 115.29 115.84 1xm7 s HIS 102 Ca -0.16 -0.73 -0.27 0.00 0.47 0.00 0.00 55.06 54.36 1xm7 s HIS 102 Cb -0.17 -1.23 0.04 0.00 -0.13 0.00 0.00 32.58 31.09 1xm7 s HIS 102 CO 0.08 -0.45 0.52 1.63 -2.47 0.00 0.00 174.74 174.04 1xm7 n LYS 103 N 4.51 -0.38 0.00 2.88 5.02 -1.26 -1.95 118.16 126.98 1xm7 n LYS 103 Ca -0.17 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1xm7 n LYS 103 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1xm7 n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xm7 n GLY 104 N -2.03 2.05 3.68 0.72 0.00 -1.26 -5.00 105.19 103.34 1xm7 n GLY 104 Ca -0.12 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 1xm7 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xm7 n LYS 105 N 0.00 1.00 -3.84 1.61 5.02 -0.82 -4.99 118.16 116.14 1xm7 n LYS 105 Ca 0.00 0.39 -0.35 0.00 -2.02 0.00 0.00 58.31 56.33 1xm7 n LYS 105 Cb 0.00 -2.37 -0.09 0.00 -0.02 0.00 0.00 35.03 32.55 1xm7 n LYS 105 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xm7 s ARG 106 N -3.12 4.03 -0.14 1.97 3.52 -1.26 -0.38 118.95 123.57 1xm7 s ARG 106 Ca 0.80 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1xm7 s ARG 106 Cb -0.39 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.64 1xm7 s ARG 106 CO 0.43 0.20 -0.16 0.42 -0.81 0.00 0.00 175.30 175.38 1xm7 s ILE 107 N 0.61 2.66 -0.19 4.11 1.01 0.32 -0.67 121.20 129.04 1xm7 s ILE 107 Ca 0.05 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1xm7 s ILE 107 Cb -0.12 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1xm7 s ILE 107 CO 0.01 0.52 0.38 -0.22 0.00 0.00 0.00 174.94 175.63 1xm7 s LEU 108 N 0.68 4.18 -0.22 2.97 0.20 0.46 -0.79 118.68 126.17 1xm7 s LEU 108 Ca -0.08 0.53 -0.03 0.00 0.69 0.00 0.00 54.13 55.24 1xm7 s LEU 108 Cb -0.16 -2.50 -0.01 0.00 -0.43 0.00 0.00 46.19 43.10 1xm7 s LEU 108 CO 0.02 -0.04 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.23 1xm7 s LEU 109 N 1.10 2.84 0.12 -0.68 1.43 0.58 -0.81 118.68 123.25 1xm7 s LEU 109 Ca 0.19 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 1xm7 s LEU 109 Cb -0.14 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1xm7 s LEU 109 CO 0.07 -0.01 0.29 -0.55 0.23 0.00 0.00 176.35 176.38 1xm7 s SER 110 N 1.44 -0.03 0.04 2.29 0.15 -0.96 -0.97 113.70 115.66 1xm7 s SER 110 Ca 0.05 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 1xm7 s SER 110 Cb -0.14 0.41 -0.28 0.00 -1.71 0.00 0.00 66.02 64.30 1xm7 s SER 110 CO -0.04 -0.82 1.00 -0.74 1.20 0.00 0.00 173.24 173.84 1xm7 h HIS 111 N 2.56 0.48 -3.56 3.44 2.76 -1.75 -3.31 115.15 115.76 1xm7 h HIS 111 Ca -0.33 -0.35 -0.52 0.00 -2.20 0.00 0.00 60.37 56.97 1xm7 h HIS 111 Cb 1.23 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.14 1xm7 h HIS 111 CO 0.39 1.33 0.04 0.71 -1.30 0.00 0.00 177.93 179.09 1xm7 s TYR 112 N -2.64 3.51 0.74 5.26 1.51 -1.26 -2.01 117.35 122.47 1xm7 s TYR 112 Ca -0.06 1.20 -0.06 0.00 -1.01 0.00 0.00 57.07 57.14 1xm7 s TYR 112 Cb 0.07 -2.49 0.11 0.00 -0.11 0.00 0.00 41.96 39.53 1xm7 s TYR 112 CO 0.87 0.26 1.04 -1.25 -1.11 0.00 0.00 175.55 175.36 1xm7 s PRO 113 N -2.45 1.76 0.19 -1.71 0.04 -1.26 -4.76 135.00 126.82 1xm7 s PRO 113 Ca 0.47 -0.62 -0.03 0.00 0.04 0.00 0.00 61.00 60.86 1xm7 s PRO 113 Cb -0.13 -2.19 0.12 0.00 0.04 0.00 0.00 34.50 32.34 1xm7 s PRO 113 CO 0.19 -1.48 1.51 0.00 0.04 0.00 0.00 177.00 177.27 1xm7 h ALA 114 N -0.71 0.71 -2.17 8.56 0.00 -1.93 -3.41 119.26 120.32 1xm7 h ALA 114 Ca -0.42 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 1xm7 h ALA 114 Cb 1.28 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 1xm7 h ALA 114 CO 0.49 0.69 -0.07 0.21 0.00 0.00 0.00 179.25 180.56 1xm7 s LYS 115 N -4.01 0.62 -0.34 0.00 2.20 -1.26 -4.66 119.74 112.28 1xm7 s LYS 115 Ca -0.07 1.13 -0.29 0.00 -0.36 0.00 0.00 55.97 56.38 1xm7 s LYS 115 Cb 0.11 0.15 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1xm7 s LYS 115 CO 0.84 -0.16 1.14 0.34 -0.36 0.00 0.00 175.35 177.15 1xm7 s ASP 116 N 1.68 6.82 0.00 1.43 -1.08 -1.26 -2.33 116.67 121.93 1xm7 s ASP 116 Ca -0.09 0.98 0.03 0.00 -0.52 0.00 0.00 52.55 52.94 1xm7 s ASP 116 Cb -0.06 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 38.99 1xm7 s ASP 116 CO -0.18 -1.00 0.82 -0.81 0.52 0.00 0.00 175.17 174.53 1xm7 n PRO 117 N 7.15 0.05 0.00 4.34 -0.04 -1.26 -4.02 135.00 141.22 1xm7 n PRO 117 Ca 0.13 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1xm7 n PRO 117 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1xm7 n PRO 117 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xm7 n ILE 118 N -1.20 0.00 -3.97 0.52 5.41 -1.26 -4.97 119.36 113.88 1xm7 n ILE 118 Ca 0.01 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.47 1xm7 n ILE 118 Cb 0.02 -0.52 -0.16 0.00 -0.71 0.00 0.00 39.64 38.26 1xm7 n ILE 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1xm7 s THR 119 N -0.36 1.40 -1.17 1.39 2.01 -1.26 -5.06 115.64 112.60 1xm7 s THR 119 Ca 0.00 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.22 1xm7 s THR 119 Cb 0.00 -1.39 0.12 0.00 0.01 0.00 0.00 72.50 71.24 1xm7 s THR 119 CO 0.00 0.35 1.49 -1.61 -0.69 0.00 0.00 174.62 174.16 1xm7 s GLU 120 N 1.54 3.91 0.28 4.92 2.02 -1.26 -4.78 118.70 125.34 1xm7 s GLU 120 Ca 0.03 -2.07 0.13 0.00 0.02 0.00 0.00 54.97 53.09 1xm7 s GLU 120 Cb -0.14 -5.23 0.31 0.00 0.10 0.00 0.00 34.13 29.17 1xm7 s GLU 120 CO -0.09 -1.98 1.56 0.00 0.02 0.00 0.00 175.26 174.77 1xm7 h ARG 121 N 7.90 0.00 -2.15 1.61 3.08 -1.97 -3.35 114.38 119.50 1xm7 h ARG 121 Ca 0.32 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.82 1xm7 h ARG 121 Cb 0.91 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.55 1xm7 h ARG 121 CO 1.32 0.59 -0.87 0.66 -1.07 0.00 0.00 179.97 180.60 1xm7 n TYR 122 N -3.53 2.29 -0.28 3.04 4.01 -1.26 -4.94 117.16 116.48 1xm7 n TYR 122 Ca -0.00 -3.92 0.17 0.00 -0.16 0.00 0.00 57.90 53.99 1xm7 n TYR 122 Cb 0.66 -0.46 0.44 0.00 -0.31 0.00 0.00 39.34 39.67 1xm7 n TYR 122 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xm7 h PRO 123 N 3.22 0.53 -0.45 -0.72 0.13 -1.98 -1.36 132.00 131.37 1xm7 h PRO 123 Ca 0.12 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1xm7 h PRO 123 Cb 0.71 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1xm7 h PRO 123 CO 0.68 0.35 0.05 -0.44 -0.23 0.00 0.00 178.00 178.41 1xm7 h ASP 124 N 0.54 0.74 0.17 1.44 3.45 -1.96 -1.35 116.42 119.45 1xm7 h ASP 124 Ca 0.51 -0.27 -0.15 0.00 0.43 0.00 0.00 57.03 57.54 1xm7 h ASP 124 Cb 1.06 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.63 1xm7 h ASP 124 CO -0.24 0.83 -0.54 0.03 -1.57 0.00 0.00 179.24 177.74 1xm7 h ARG 125 N 0.62 0.41 -0.62 3.56 3.08 -1.76 -2.36 114.38 117.32 1xm7 h ARG 125 Ca 0.13 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1xm7 h ARG 125 Cb 0.42 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1xm7 h ARG 125 CO 0.01 0.85 0.25 1.96 -1.07 0.00 0.00 179.97 181.97 1xm7 h GLN 126 N 0.31 0.92 -0.32 0.04 4.20 -1.12 -2.27 115.11 116.87 1xm7 h GLN 126 Ca 0.01 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1xm7 h GLN 126 Cb 1.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1xm7 h GLN 126 CO 0.09 0.77 0.01 1.49 -0.67 0.00 0.00 178.83 180.53 1xm7 h GLU 127 N 0.86 0.49 -0.46 1.46 4.81 -1.03 -2.35 114.58 118.35 1xm7 h GLU 127 Ca 0.21 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1xm7 h GLU 127 Cb 0.19 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1xm7 h GLU 127 CO -0.02 0.51 -0.07 0.52 -0.73 0.00 0.00 179.01 179.22 1xm7 h MET 128 N 0.47 0.86 -0.27 1.92 2.86 -0.98 -0.30 114.93 119.50 1xm7 h MET 128 Ca 0.10 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1xm7 h MET 128 Cb 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1xm7 h MET 128 CO 0.01 0.94 0.14 0.28 1.06 0.00 0.00 176.91 179.34 1xm7 h VAL 129 N 0.70 1.00 0.03 -2.22 2.07 -1.06 0.79 116.25 117.56 1xm7 h VAL 129 Ca 0.12 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1xm7 h VAL 129 Cb 0.60 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1xm7 h VAL 129 CO 0.04 0.05 -0.01 0.03 0.02 0.00 0.00 177.57 177.70 1xm7 h ARG 130 N 0.29 -0.04 -0.27 1.57 3.08 -1.32 0.05 114.38 117.73 1xm7 h ARG 130 Ca 0.11 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.23 1xm7 h ARG 130 Cb 0.02 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 1xm7 h ARG 130 CO -0.07 -0.03 -0.21 1.49 -1.07 0.00 0.00 179.97 180.08 1xm7 h GLU 131 N -0.04 -0.19 -0.11 0.04 4.57 -0.53 0.44 114.58 118.76 1xm7 h GLU 131 Ca -0.00 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1xm7 h GLU 131 Cb 0.03 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1xm7 h GLU 131 CO 0.00 -0.13 -0.00 0.82 -1.18 0.00 0.00 179.01 178.53 1xm7 h ILE 132 N -0.20 0.92 -0.46 2.32 2.04 -0.67 0.88 117.51 122.34 1xm7 h ILE 132 Ca 0.15 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1xm7 h ILE 132 Cb 0.42 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 1xm7 h ILE 132 CO -0.39 0.01 -0.34 0.22 0.00 0.00 0.00 178.15 177.65 1xm7 h TYR 133 N 0.04 -0.95 0.11 1.37 3.20 -0.06 0.11 116.97 120.79 1xm7 h TYR 133 Ca 0.05 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1xm7 h TYR 133 Cb 0.06 0.48 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1xm7 h TYR 133 CO -0.13 -0.39 -0.05 0.74 -1.64 0.00 0.00 178.16 176.68 1xm7 h PHE 134 N -0.23 -0.14 -0.79 -3.82 0.04 -0.59 -0.84 116.94 110.57 1xm7 h PHE 134 Ca 0.19 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.06 1xm7 h PHE 134 Cb 0.55 0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.67 1xm7 h PHE 134 CO -0.58 0.09 0.42 -0.22 -0.60 0.00 0.00 178.31 177.42 1xm7 h LYS 135 N -0.35 0.67 -0.23 1.51 3.64 -0.36 -1.56 116.57 119.88 1xm7 h LYS 135 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xm7 h LYS 135 Cb 0.29 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xm7 h LYS 135 CO 0.03 0.45 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 1xm7 n GLU 136 N -4.81 1.88 -3.73 1.90 -0.58 0.34 -4.95 120.64 110.69 1xm7 n GLU 136 Ca 0.13 -1.33 -0.23 0.00 -0.42 0.00 0.00 57.16 55.32 1xm7 n GLU 136 Cb 0.30 -1.40 0.03 0.00 -0.57 0.00 0.00 31.44 29.80 1xm7 n GLU 136 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xm7 n ASN 137 N 0.56 -1.49 -4.79 1.62 3.02 -0.59 -4.93 115.26 108.65 1xm7 n ASN 137 Ca 0.16 -0.86 -0.35 0.00 -0.03 0.00 0.00 54.58 53.50 1xm7 n ASN 137 Cb 0.37 -3.87 -0.04 0.00 -0.61 0.00 0.00 39.78 35.64 1xm7 n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xm7 n ASP 139 N -0.62 0.88 -3.85 0.00 8.00 0.15 -4.94 116.55 116.17 1xm7 n ASP 139 Ca 0.08 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.71 1xm7 n ASP 139 Cb 0.51 0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.61 1xm7 n ASP 139 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xm7 s LEU 140 N -6.09 1.40 -0.14 0.64 2.96 -0.96 -4.46 118.68 112.05 1xm7 s LEU 140 Ca -0.10 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1xm7 s LEU 140 Cb 0.07 0.87 0.02 0.00 0.50 0.00 0.00 46.19 47.66 1xm7 s LEU 140 CO 0.81 -0.48 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.98 1xm7 s LEU 141 N -1.78 1.75 -0.19 -0.68 2.96 -0.37 -0.40 118.68 119.97 1xm7 s LEU 141 Ca -0.09 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1xm7 s LEU 141 Cb -0.04 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 1xm7 s LEU 141 CO -0.01 -0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.35 1xm7 s ILE 142 N 1.25 3.87 0.09 6.68 1.01 0.01 -1.74 121.20 132.36 1xm7 s ILE 142 Ca -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1xm7 s ILE 142 Cb -0.14 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 1xm7 s ILE 142 CO -0.07 0.45 0.09 0.00 0.00 0.00 0.00 174.94 175.41 1xm7 n HIS 143 N 4.09 -0.36 0.00 3.97 1.44 -0.87 -2.26 115.22 121.24 1xm7 n HIS 143 Ca -0.17 -0.68 0.00 0.00 -2.01 0.00 0.00 57.72 54.86 1xm7 n HIS 143 Cb 0.52 0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.72 1xm7 n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xm7 n GLY 144 N -0.16 4.78 4.84 -1.39 0.00 -0.85 0.94 105.19 113.35 1xm7 n GLY 144 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1xm7 n GLY 144 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xm7 n HIS 145 N 0.00 0.00 -2.80 1.61 -0.00 -1.18 -4.55 115.22 108.30 1xm7 n HIS 145 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 1xm7 n HIS 145 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 1xm7 n HIS 145 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1xm7 s VAL 146 N 0.00 4.54 0.86 3.57 1.01 -1.26 -5.03 120.40 124.09 1xm7 s VAL 146 Ca 0.00 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1xm7 s VAL 146 Cb 0.00 -4.37 0.11 0.00 0.00 0.00 0.00 36.38 32.12 1xm7 s VAL 146 CO 0.00 -0.62 1.14 -1.00 0.00 0.00 0.00 175.10 174.62 1xm7 s HIS 147 N 3.57 2.72 0.43 5.22 0.09 -1.26 -4.86 115.29 121.20 1xm7 s HIS 147 Ca 0.38 0.87 -0.25 0.00 -0.00 0.00 0.00 55.06 56.06 1xm7 s HIS 147 Cb -0.11 -3.37 -0.08 0.00 -0.00 0.00 0.00 32.58 29.01 1xm7 s HIS 147 CO 0.21 -2.06 1.34 -0.46 -0.00 0.00 0.00 174.74 173.77 1xm7 s TRP 148 N -3.35 2.68 0.06 1.40 -0.00 -1.26 -5.02 118.94 113.44 1xm7 s TRP 148 Ca 0.63 1.37 -0.04 0.00 -0.00 0.00 0.00 56.10 58.05 1xm7 s TRP 148 Cb -0.13 -3.75 -0.03 0.00 -0.00 0.00 0.00 33.47 29.56 1xm7 s TRP 148 CO 0.52 -2.38 0.05 0.54 -0.00 0.00 0.00 176.95 175.68 1xm7 s ASN 149 N -0.70 0.35 0.00 5.86 6.03 -1.26 -5.02 114.94 120.20 1xm7 s ASN 149 Ca 0.59 -0.85 0.02 0.00 -1.03 0.00 0.00 52.86 51.60 1xm7 s ASN 149 Cb -0.40 0.25 0.14 0.00 -3.03 0.00 0.00 41.25 38.21 1xm7 s ASN 149 CO 0.51 -0.63 0.62 0.54 -2.03 0.00 0.00 177.10 176.11 1xm7 n ARG 150 N 0.12 0.50 0.03 3.55 3.00 -1.26 -4.21 116.66 118.39 1xm7 n ARG 150 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 1xm7 n ARG 150 Cb 0.61 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 32.00 1xm7 n ARG 150 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1xm7 n GLU 151 N -0.57 0.00 0.00 5.56 0.00 -1.26 -5.32 120.64 119.05 1xm7 n GLU 151 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1xm7 n GLU 151 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 31.44 31.27 1xm7 n GLU 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xm7 n GLY 152 N 3.19 2.46 3.66 -1.84 0.00 -1.26 -5.26 105.19 106.14 1xm7 n GLY 152 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1xm7 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm7 n ALA 156 N -4.25 3.14 -0.43 0.00 0.00 -0.98 -4.63 120.51 113.36 1xm7 n ALA 156 Ca 0.12 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1xm7 n ALA 156 Cb 0.52 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 1xm7 n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm7 n LYS 158 N 3.28 4.02 0.00 0.00 3.00 -1.26 -4.30 118.16 122.90 1xm7 n LYS 158 Ca 0.21 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.63 1xm7 n LYS 158 Cb 0.29 -0.33 0.48 0.00 0.00 0.00 0.00 35.03 35.46 1xm7 n LYS 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xm7 n ASP 159 N 0.00 0.03 -4.46 3.14 9.92 -0.39 -4.61 116.55 120.17 1xm7 n ASP 159 Ca 0.00 0.50 -0.29 0.00 -0.53 0.00 0.00 54.79 54.48 1xm7 n ASP 159 Cb 0.00 -0.51 -0.12 0.00 -0.64 0.00 0.00 41.12 39.85 1xm7 n ASP 159 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1xm7 s TYR 160 N -3.01 2.46 -0.43 1.24 1.51 -1.26 -4.98 117.35 112.88 1xm7 s TYR 160 Ca 0.11 -0.30 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1xm7 s TYR 160 Cb 0.15 -1.30 -0.05 0.00 -0.11 0.00 0.00 41.96 40.65 1xm7 s TYR 160 CO 0.42 0.39 1.55 -2.13 -1.11 0.00 0.00 175.55 174.66 1xm7 n ARG 161 N 0.73 0.96 -4.54 -0.62 3.00 -1.26 -4.71 116.66 110.23 1xm7 n ARG 161 Ca -0.16 -1.00 -0.24 0.00 -0.00 0.00 0.00 57.85 56.46 1xm7 n ARG 161 Cb 0.53 -2.26 -0.16 0.00 0.00 0.00 0.00 32.46 30.57 1xm7 n ARG 161 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1xm7 s ILE 162 N 4.41 1.05 -0.08 5.15 1.01 -1.26 -5.10 121.20 126.39 1xm7 s ILE 162 Ca 0.23 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 1xm7 s ILE 162 Cb 0.06 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1xm7 s ILE 162 CO 0.01 0.33 0.19 -1.61 0.00 0.00 0.00 174.94 173.86 1xm7 s GLU 163 N 0.63 3.51 0.25 2.79 0.41 -1.26 -4.01 118.70 121.03 1xm7 s GLU 163 Ca -0.13 -0.08 -0.16 0.00 -0.41 0.00 0.00 54.97 54.19 1xm7 s GLU 163 Cb -0.15 -3.17 0.01 0.00 -1.78 0.00 0.00 34.13 29.04 1xm7 s GLU 163 CO 0.03 0.74 0.57 0.00 -0.49 0.00 0.00 175.26 176.12 1xm7 s ILE 165 N -3.97 -0.03 -0.41 0.00 2.07 -0.71 -4.94 121.20 113.21 1xm7 s ILE 165 Ca 0.17 0.09 -0.23 0.00 -1.41 0.00 0.00 60.65 59.27 1xm7 s ILE 165 Cb -0.03 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.21 1xm7 s ILE 165 CO 0.07 0.04 0.78 0.21 -1.91 0.00 0.00 174.94 174.12 1xm7 s ASN 166 N 0.85 6.47 0.00 4.50 3.84 -1.26 -2.04 114.94 127.29 1xm7 s ASN 166 Ca -0.06 0.09 0.23 0.00 0.21 0.00 0.00 52.86 53.33 1xm7 s ASN 166 Cb -0.07 -2.39 1.21 0.00 -0.55 0.00 0.00 41.25 39.46 1xm7 s ASN 166 CO -0.05 -0.83 1.80 0.00 -2.79 0.00 0.00 177.10 175.23 1xm7 n ALA 167 N 6.57 2.60 -1.72 1.71 0.00 0.27 -4.81 120.51 125.13 1xm7 n ALA 167 Ca 0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 1xm7 n ALA 167 Cb 0.48 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1xm7 n ALA 167 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xm7 n ASN 168 N -0.47 3.92 -0.30 0.00 4.05 -1.26 -1.67 115.26 119.52 1xm7 n ASN 168 Ca 0.17 1.08 0.09 0.00 0.45 0.00 0.00 54.58 56.37 1xm7 n ASN 168 Cb 0.17 -1.57 0.25 0.00 1.23 0.00 0.00 39.78 39.86 1xm7 n ASN 168 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 1xm7 h VAL 169 N 3.70 0.68 -0.03 3.44 -1.51 -1.56 -1.36 116.25 119.61 1xm7 h VAL 169 Ca -0.44 -0.20 0.01 0.00 -1.23 0.00 0.00 66.70 64.84 1xm7 h VAL 169 Cb 1.21 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.39 1xm7 h VAL 169 CO 0.92 0.11 0.17 -0.33 -1.23 0.00 0.00 177.57 177.21 1xm7 h GLU 170 N 0.60 0.00 0.00 5.19 5.08 -1.87 -0.59 114.58 122.98 1xm7 h GLU 170 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1xm7 h GLU 170 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1xm7 h GLU 170 CO -0.40 0.00 -1.65 0.91 -1.00 0.00 0.00 179.01 176.88 1xm7 n TRP 171 N -3.12 0.11 -1.51 4.33 7.02 -0.52 -4.44 117.44 119.29 1xm7 n TRP 171 Ca -0.02 0.03 0.03 0.00 -1.02 0.00 0.00 57.50 56.52 1xm7 n TRP 171 Cb 0.24 -0.44 0.20 0.00 -2.42 0.00 0.00 31.31 28.89 1xm7 n TRP 171 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xm7 n ASN 172 N -2.13 2.03 -3.77 -0.99 4.13 -0.57 -4.96 115.26 109.00 1xm7 n ASN 172 Ca -0.02 -3.81 -0.26 0.00 1.68 0.00 0.00 54.58 52.18 1xm7 n ASN 172 Cb 0.51 -0.56 0.04 0.00 -1.54 0.00 0.00 39.78 38.23 1xm7 n ASN 172 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xm7 n ASP 173 N -1.13 -3.59 -3.91 6.41 2.03 -1.01 -2.47 116.55 112.89 1xm7 n ASP 173 Ca 0.24 -0.75 -0.28 0.00 0.52 0.00 0.00 54.79 54.51 1xm7 n ASP 173 Cb 0.81 -4.16 0.02 0.00 -0.72 0.00 0.00 41.12 37.06 1xm7 n ASP 173 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xm7 n TYR 174 N -4.56 -2.07 -4.54 -0.67 4.02 -0.34 -5.00 117.16 104.01 1xm7 n TYR 174 Ca -0.10 0.86 -0.21 0.00 -0.01 0.00 0.00 57.90 58.44 1xm7 n TYR 174 Cb 0.59 -3.93 -0.15 0.00 -0.02 0.00 0.00 39.34 35.83 1xm7 n TYR 174 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1xm7 s LYS 175 N -6.50 1.01 0.86 -0.72 1.02 -1.03 -4.45 119.74 109.93 1xm7 s LYS 175 Ca 0.44 -0.48 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 1xm7 s LYS 175 Cb -0.22 -0.98 0.11 0.00 -0.52 0.00 0.00 37.83 36.22 1xm7 s LYS 175 CO 0.84 0.27 1.10 -1.25 -0.92 0.00 0.00 175.35 175.39 1xm7 s PRO 176 N -0.39 1.49 -0.16 -1.68 0.04 -1.26 -4.82 135.00 128.22 1xm7 s PRO 176 Ca 0.04 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.19 1xm7 s PRO 176 Cb -0.05 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1xm7 s PRO 176 CO -0.00 -2.19 0.13 0.42 0.04 0.00 0.00 177.00 175.40 1xm7 s ILE 177 N -2.81 5.40 0.63 0.56 1.01 0.22 -4.83 121.20 121.37 1xm7 s ILE 177 Ca 0.64 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 61.39 1xm7 s ILE 177 Cb -0.19 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1xm7 s ILE 177 CO 0.57 0.54 0.97 -0.55 0.00 0.00 0.00 174.94 176.47 1xm7 s SER 178 N -0.38 5.52 0.00 3.58 0.15 -1.26 -0.80 113.70 120.50 1xm7 s SER 178 Ca 0.11 0.83 0.19 0.00 0.70 0.00 0.00 55.95 57.78 1xm7 s SER 178 Cb -0.12 -1.75 0.95 0.00 -1.71 0.00 0.00 66.02 63.39 1xm7 s SER 178 CO 0.01 -1.17 1.56 -1.84 1.20 0.00 0.00 173.24 173.00 1xm7 n GLU 179 N -2.73 0.29 0.09 5.44 0.28 -0.47 -2.74 120.64 120.79 1xm7 n GLU 179 Ca 0.05 0.10 -0.13 0.00 -0.16 0.00 0.00 57.16 57.03 1xm7 n GLU 179 Cb 0.58 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.86 1xm7 n GLU 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xm7 h ARG 180 N 0.00 -0.23 0.00 3.44 2.47 -1.91 -2.90 114.38 115.25 1xm7 h ARG 180 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1xm7 h ARG 180 Cb 0.16 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1xm7 h ARG 180 CO 0.00 0.13 0.07 0.93 0.56 0.00 0.00 179.97 181.66 1xm7 h GLU 181 N -0.64 0.00 -0.03 0.04 5.08 -1.90 0.84 114.58 117.97 1xm7 h GLU 181 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 1xm7 h GLU 181 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1xm7 h GLU 181 CO 0.04 0.00 -0.74 0.82 -1.00 0.00 0.00 179.01 178.13 1xm7 h ILE 182 N 0.00 1.36 -0.26 3.13 2.04 -1.63 -3.19 117.51 118.96 1xm7 h ILE 182 Ca 0.00 -2.08 -0.05 0.00 1.00 0.00 0.00 64.86 63.73 1xm7 h ILE 182 Cb 0.14 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1xm7 h ILE 182 CO 0.00 0.63 -0.05 0.44 0.00 0.00 0.00 178.15 179.16 1xm7 h ASP 183 N 0.14 0.38 0.00 1.72 3.45 -0.68 -1.09 116.42 120.34 1xm7 h ASP 183 Ca -0.08 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.30 1xm7 h ASP 183 Cb 1.41 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 1xm7 h ASP 183 CO 0.15 0.49 0.07 0.29 -1.57 0.00 0.00 179.24 178.66 1xm7 n LYS 184 N -4.28 0.10 -0.10 3.56 4.76 -0.69 -2.29 118.16 119.21 1xm7 n LYS 184 Ca 0.01 0.59 -0.12 0.00 -2.87 0.00 0.00 58.31 55.91 1xm7 n LYS 184 Cb 0.25 -1.90 -0.04 0.00 -1.84 0.00 0.00 35.03 31.50 1xm7 n LYS 184 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xm7 n LEU 185 N -2.05 1.93 0.00 -0.35 4.77 -0.45 -5.11 117.00 115.74 1xm7 n LEU 185 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1xm7 n LEU 185 Cb 0.09 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1xm7 n LEU 185 CO 0.07 -0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.00