#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz2 s LEU 2 N 0.00 4.37 0.60 7.52 1.43 -1.26 -5.05 118.68 126.29 1xz2 s LEU 2 Ca 0.00 1.95 -0.03 0.00 -1.03 0.00 0.00 54.13 55.02 1xz2 s LEU 2 Cb 0.00 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.68 1xz2 s LEU 2 CO 0.00 -0.44 0.87 -0.94 0.23 0.00 0.00 176.35 176.07 1xz2 s SER 3 N 1.07 5.21 0.25 2.29 1.04 -1.26 -4.91 113.70 117.40 1xz2 s SER 3 Ca 0.57 0.29 -0.04 0.00 0.48 0.00 0.00 55.95 57.26 1xz2 s SER 3 Cb -0.28 -1.15 0.37 0.00 0.10 0.00 0.00 66.02 65.07 1xz2 s SER 3 CO 0.29 -1.25 1.86 -0.65 0.98 0.00 0.00 173.24 174.47 1xz2 h PRO 4 N -0.17 1.03 -0.69 4.02 0.11 -1.99 -1.30 132.00 133.00 1xz2 h PRO 4 Ca -0.44 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.70 1xz2 h PRO 4 Cb 1.29 -0.23 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1xz2 h PRO 4 CO 0.57 0.68 0.34 0.00 -0.21 0.00 0.00 178.00 179.38 1xz2 h ALA 5 N 1.43 0.95 -0.44 -0.75 0.00 -1.99 0.38 119.26 118.83 1xz2 h ALA 5 Ca 0.40 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1xz2 h ALA 5 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xz2 h ALA 5 CO -0.18 -0.05 0.27 -0.44 0.00 0.00 0.00 179.25 178.86 1xz2 h ASP 6 N 0.60 0.53 -0.51 0.00 3.32 -1.64 -0.16 116.42 118.55 1xz2 h ASP 6 Ca 0.34 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 1xz2 h ASP 6 Cb 0.34 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1xz2 h ASP 6 CO -0.26 0.43 0.12 0.11 -1.72 0.00 0.00 179.24 177.92 1xz2 h LYS 7 N 0.59 0.82 -0.41 3.56 1.57 -0.59 -0.45 116.57 121.66 1xz2 h LYS 7 Ca 0.16 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1xz2 h LYS 7 Cb -0.01 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1xz2 h LYS 7 CO -0.03 0.78 0.16 1.15 -0.57 0.00 0.00 179.45 180.94 1xz2 h THR 8 N 0.71 0.90 -0.24 -0.16 2.02 -0.72 -1.19 112.91 114.23 1xz2 h THR 8 Ca 0.16 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1xz2 h THR 8 Cb 0.33 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1xz2 h THR 8 CO 0.00 0.06 0.11 0.78 0.37 0.00 0.00 175.52 176.84 1xz2 h ASN 9 N 0.33 0.33 -0.67 4.18 2.35 -0.46 -2.55 115.58 119.08 1xz2 h ASN 9 Ca 0.19 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1xz2 h ASN 9 Cb 0.16 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1xz2 h ASN 9 CO -0.18 0.38 0.26 0.58 -1.65 0.00 0.00 177.43 176.82 1xz2 h VAL 10 N 0.26 1.24 -0.08 2.81 2.07 -0.91 -1.36 116.25 120.29 1xz2 h VAL 10 Ca 0.08 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1xz2 h VAL 10 Cb 0.14 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1xz2 h VAL 10 CO -0.01 0.30 -0.22 0.11 0.02 0.00 0.00 177.57 177.77 1xz2 h LYS 11 N 0.95 0.13 0.05 1.57 1.57 -1.14 0.12 116.57 119.81 1xz2 h LYS 11 Ca 0.22 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 1xz2 h LYS 11 Cb 0.21 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.53 1xz2 h LYS 11 CO -0.02 0.35 -0.82 0.00 -0.57 0.00 0.00 179.45 178.39 1xz2 h ALA 12 N 1.66 0.04 -0.08 3.86 0.00 -1.09 -2.42 119.26 121.23 1xz2 h ALA 12 Ca 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1xz2 h ALA 12 Cb 0.46 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xz2 h ALA 12 CO 0.03 0.46 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 1xz2 h ALA 13 N 0.28 0.11 0.00 0.00 0.00 -1.13 -2.77 119.26 115.75 1xz2 h ALA 13 Ca -0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1xz2 h ALA 13 Cb 1.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1xz2 h ALA 13 CO 0.16 -0.12 -0.22 2.35 0.00 0.00 0.00 179.25 181.42 1xz2 h TRP 14 N -0.21 0.00 -0.62 0.00 2.91 -0.87 -2.63 115.95 114.53 1xz2 h TRP 14 Ca 0.02 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 1xz2 h TRP 14 Cb 0.51 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 1xz2 h TRP 14 CO 0.07 0.22 0.07 0.78 -1.03 0.00 0.00 178.44 178.56 1xz2 h GLY 15 N 0.71 1.11 2.00 2.65 0.00 -1.33 -2.51 103.07 105.70 1xz2 h GLY 15 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.49 1xz2 h GLY 15 CO 0.03 0.69 -0.44 0.50 0.00 0.00 0.00 176.54 177.31 1xz2 h LYS 16 N 0.96 0.00 0.13 4.80 1.79 -1.19 -2.82 116.57 120.23 1xz2 h LYS 16 Ca 0.19 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1xz2 h LYS 16 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1xz2 h LYS 16 CO 0.02 0.44 -0.07 0.28 -1.08 0.00 0.00 179.45 179.04 1xz2 h VAL 17 N 0.00 0.86 0.00 0.50 2.07 -1.19 -3.46 116.25 115.04 1xz2 h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xz2 h VAL 17 Cb 0.86 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1xz2 h VAL 17 CO 0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1xz2 n GLY 18 N -1.17 3.54 0.00 2.17 0.00 -1.00 -1.83 105.19 106.90 1xz2 n GLY 18 Ca -0.08 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1xz2 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xz2 n ALA 19 N 11.53 1.91 1.32 4.61 0.00 -1.26 -2.51 120.51 136.12 1xz2 n ALA 19 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1xz2 n ALA 19 Cb 0.00 -1.31 0.40 0.00 0.00 0.00 0.00 19.45 18.54 1xz2 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xz2 n HIS 20 N -1.46 0.00 -0.28 0.00 8.25 -0.76 -4.49 115.22 116.48 1xz2 n HIS 20 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1xz2 n HIS 20 Cb 0.21 -0.06 0.22 0.00 1.12 0.00 0.00 29.99 31.48 1xz2 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xz2 h ALA 21 N 4.01 1.01 -0.68 -1.41 0.00 -1.59 -0.65 119.26 119.94 1xz2 h ALA 21 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1xz2 h ALA 21 Cb 0.54 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xz2 h ALA 21 CO 0.00 -0.44 0.16 0.78 0.00 0.00 0.00 179.25 179.74 1xz2 h GLY 22 N 0.15 1.18 0.96 0.00 0.00 -1.85 -1.25 103.07 102.26 1xz2 h GLY 22 Ca 0.48 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1xz2 h GLY 22 CO -0.67 0.69 0.08 -2.09 0.00 0.00 0.00 176.54 174.55 1xz2 h GLU 23 N 1.04 0.18 -0.45 4.80 4.81 -1.47 -2.10 114.58 121.38 1xz2 h GLU 23 Ca 0.21 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1xz2 h GLU 23 Cb 0.38 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1xz2 h GLU 23 CO 0.00 0.17 0.12 1.88 -0.73 0.00 0.00 179.01 180.46 1xz2 h TYR 24 N 0.13 0.68 -0.20 0.92 0.99 -1.16 -1.81 116.97 116.52 1xz2 h TYR 24 Ca 0.05 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1xz2 h TYR 24 Cb 0.04 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 37.55 1xz2 h TYR 24 CO -0.05 0.58 0.09 0.78 -0.00 0.00 0.00 178.16 179.55 1xz2 h GLY 25 N 0.86 0.26 1.02 3.88 0.00 -0.91 -0.45 103.07 107.73 1xz2 h GLY 25 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1xz2 h GLY 25 CO -0.01 0.05 0.32 0.00 0.00 0.00 0.00 176.54 176.91 1xz2 h ALA 26 N 1.11 0.93 -0.44 3.60 0.00 -1.10 -2.04 119.26 121.32 1xz2 h ALA 26 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xz2 h ALA 26 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xz2 h ALA 26 CO -0.06 0.51 0.11 1.49 0.00 0.00 0.00 179.25 181.30 1xz2 h GLU 27 N 1.01 0.69 -0.69 0.00 4.81 -1.07 -1.25 114.58 118.10 1xz2 h GLU 27 Ca 0.24 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1xz2 h GLU 27 Cb 0.15 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1xz2 h GLU 27 CO -0.03 0.69 0.35 0.00 -0.73 0.00 0.00 179.01 179.30 1xz2 h ALA 28 N 0.97 0.94 -0.32 2.92 0.00 -0.96 0.16 119.26 122.96 1xz2 h ALA 28 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xz2 h ALA 28 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xz2 h ALA 28 CO 0.00 -0.03 0.15 -0.07 0.00 0.00 0.00 179.25 179.30 1xz2 h LEU 29 N 0.61 0.43 -0.80 0.00 3.38 -1.14 -0.63 115.31 117.16 1xz2 h LEU 29 Ca 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xz2 h LEU 29 Cb 0.31 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1xz2 h LEU 29 CO -0.24 0.45 0.43 -0.08 0.09 0.00 0.00 178.44 179.08 1xz2 h GLU 30 N 0.38 1.12 -0.88 1.13 4.81 -0.76 -0.37 114.58 120.02 1xz2 h GLU 30 Ca 0.11 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1xz2 h GLU 30 Cb 0.14 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1xz2 h GLU 30 CO -0.01 0.84 0.50 0.00 -0.73 0.00 0.00 179.01 179.60 1xz2 h ARG 31 N 1.11 1.21 0.19 1.92 3.08 -0.76 -2.29 114.38 118.84 1xz2 h ARG 31 Ca 0.28 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1xz2 h ARG 31 Cb 0.05 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1xz2 h ARG 31 CO -0.04 0.87 -0.09 1.98 -1.07 0.00 0.00 179.97 181.61 1xz2 h MET 32 N 1.22 -0.25 -0.70 0.04 4.05 -0.41 -0.40 114.93 118.48 1xz2 h MET 32 Ca 0.31 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.81 1xz2 h MET 32 Cb -0.01 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 1xz2 h MET 32 CO -0.05 0.04 0.46 0.74 0.23 0.00 0.00 176.91 178.32 1xz2 h PHE 33 N -0.54 0.72 0.24 1.39 0.04 -1.02 0.15 116.94 117.94 1xz2 h PHE 33 Ca -0.03 0.02 -0.34 0.00 2.80 0.00 0.00 57.97 60.42 1xz2 h PHE 33 Cb 0.40 -0.24 0.03 0.00 2.20 0.00 0.00 35.95 38.35 1xz2 h PHE 33 CO 0.01 0.39 -1.52 -0.07 -0.60 0.00 0.00 178.31 176.52 1xz2 h LEU 34 N 0.72 0.81 0.00 1.54 3.38 -1.35 -3.29 115.31 117.11 1xz2 h LEU 34 Ca 0.30 -0.90 -0.26 0.00 0.09 0.00 0.00 57.88 57.11 1xz2 h LEU 34 Cb 0.26 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1xz2 h LEU 34 CO -0.10 1.72 -1.12 0.28 0.09 0.00 0.00 178.44 179.31 1xz2 h SER 35 N 0.14 0.49 -2.86 -0.43 0.02 -0.83 -3.40 113.55 106.68 1xz2 h SER 35 Ca -0.27 -0.46 -0.60 0.00 -0.84 0.00 0.00 61.79 59.62 1xz2 h SER 35 Cb 2.16 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 64.15 1xz2 h SER 35 CO 0.26 1.31 -0.78 -0.36 -1.14 0.00 0.00 176.83 176.12 1xz2 s PHE 36 N -2.91 2.15 0.60 3.45 0.40 0.51 -4.99 117.98 117.18 1xz2 s PHE 36 Ca -0.05 -2.69 0.37 0.00 -0.60 0.00 0.00 56.93 53.96 1xz2 s PHE 36 Cb 0.08 -1.75 2.08 0.00 0.51 0.00 0.00 43.02 43.93 1xz2 s PHE 36 CO 0.88 -0.72 2.29 -1.35 0.70 0.00 0.00 175.22 177.03 1xz2 h PRO 37 N 5.81 0.00 0.00 0.24 0.11 -1.74 -1.65 132.00 134.76 1xz2 h PRO 37 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1xz2 h PRO 37 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1xz2 h PRO 37 CO 0.51 0.01 -0.04 1.79 -0.21 0.00 0.00 178.00 180.06 1xz2 h THR 38 N 0.00 0.20 0.00 -1.15 1.35 -1.92 -1.59 112.91 109.80 1xz2 h THR 38 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1xz2 h THR 38 Cb 0.04 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1xz2 h THR 38 CO 0.00 0.04 0.00 0.71 -0.25 0.00 0.00 175.52 176.02 1xz2 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.63 -2.56 112.91 116.89 1xz2 h THR 39 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1xz2 h THR 39 Cb 0.27 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1xz2 h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1xz2 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.48 -2.91 116.57 118.47 1xz2 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xz2 h LYS 40 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1xz2 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1xz2 h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.64 -0.85 112.91 111.60 1xz2 h THR 41 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1xz2 h THR 41 Cb 0.33 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1xz2 h THR 41 CO 0.00 0.00 -0.19 -1.22 -0.25 0.00 0.00 175.52 173.86 1xz2 n TYR 42 N -3.05 0.00 -2.68 4.73 4.01 -1.10 -4.36 117.16 114.71 1xz2 n TYR 42 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1xz2 n TYR 42 Cb 0.13 -0.09 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1xz2 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xz2 n PHE 43 N -0.40 2.54 0.29 -0.72 3.01 -0.32 -4.85 117.46 117.01 1xz2 n PHE 43 Ca 0.14 -3.24 0.19 0.00 1.01 0.00 0.00 57.45 55.55 1xz2 n PHE 43 Cb 0.35 -0.27 0.82 0.00 -0.01 0.00 0.00 39.48 40.38 1xz2 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xz2 h PRO 44 N 2.81 0.00 -0.01 -1.08 0.14 -1.76 -2.24 132.00 129.86 1xz2 h PRO 44 Ca 0.14 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.28 1xz2 h PRO 44 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.07 1xz2 h PRO 44 CO 0.71 0.01 -0.26 -2.39 0.14 0.00 0.00 178.00 176.20 1xz2 n HIS 45 N -3.10 0.00 -3.69 1.56 1.44 -1.26 -4.91 115.22 105.25 1xz2 n HIS 45 Ca -0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1xz2 n HIS 45 Cb 0.25 -0.10 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 1xz2 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xz2 s PHE 46 N -2.45 3.48 -0.33 -1.40 2.99 -0.84 -5.05 117.98 114.38 1xz2 s PHE 46 Ca 0.25 0.54 -0.24 0.00 0.00 0.00 0.00 56.93 57.47 1xz2 s PHE 46 Cb 0.19 -1.99 0.01 0.00 0.00 0.00 0.00 43.02 41.23 1xz2 s PHE 46 CO 0.51 0.45 0.83 0.34 -0.00 0.00 0.00 175.22 177.35 1xz2 s ASP 47 N -2.42 6.67 0.00 1.36 2.15 -1.26 -4.93 116.67 118.24 1xz2 s ASP 47 Ca 0.40 0.63 0.23 0.00 0.43 0.00 0.00 52.55 54.24 1xz2 s ASP 47 Cb -0.12 -2.42 0.58 0.00 -0.30 0.00 0.00 42.92 40.66 1xz2 s ASP 47 CO 0.25 -0.69 1.50 0.18 -0.17 0.00 0.00 175.17 176.24 1xz2 n LEU 48 N 6.37 3.74 -4.69 -1.34 4.77 -1.26 -4.54 117.00 120.05 1xz2 n LEU 48 Ca 0.05 -1.80 -0.30 0.00 -0.03 0.00 0.00 56.01 53.92 1xz2 n LEU 48 Cb 0.48 -0.42 0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1xz2 n LEU 48 CO 0.53 0.90 0.66 -0.94 -1.33 0.00 0.00 177.39 177.21 1xz2 s SER 49 N -1.14 3.21 0.15 -1.43 1.04 -1.26 -4.89 113.70 109.37 1xz2 s SER 49 Ca 0.46 1.84 -0.31 0.00 0.48 0.00 0.00 55.95 58.42 1xz2 s SER 49 Cb 0.24 -2.43 -0.11 0.00 0.10 0.00 0.00 66.02 63.83 1xz2 s SER 49 CO 0.33 -2.86 1.77 -2.28 0.98 0.00 0.00 173.24 171.18 1xz2 s HIS 50 N -2.76 2.43 0.00 5.02 2.46 -1.26 -2.21 115.29 118.97 1xz2 s HIS 50 Ca 0.65 0.14 0.00 0.00 0.47 0.00 0.00 55.06 56.32 1xz2 s HIS 50 Cb -0.20 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.10 1xz2 s HIS 50 CO 0.58 -4.57 0.00 0.41 -2.47 0.00 0.00 174.74 168.69 1xz2 n GLY 51 N 4.12 0.71 3.66 1.59 0.00 -1.26 -5.03 105.19 108.99 1xz2 n GLY 51 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1xz2 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xz2 n SER 52 N 0.00 2.42 0.13 1.61 2.88 -0.94 -4.90 113.62 114.82 1xz2 n SER 52 Ca 0.00 1.18 -0.02 0.00 -1.33 0.00 0.00 58.87 58.69 1xz2 n SER 52 Cb 0.00 -1.41 0.13 0.00 -0.75 0.00 0.00 64.21 62.18 1xz2 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xz2 h ALA 53 N 3.11 0.90 -0.52 -1.46 0.00 -1.92 -1.42 119.26 117.95 1xz2 h ALA 53 Ca -0.44 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 53.79 1xz2 h ALA 53 Cb 1.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1xz2 h ALA 53 CO 0.67 0.83 0.04 1.96 0.00 0.00 0.00 179.25 182.75 1xz2 h GLN 54 N 0.01 0.89 -0.32 0.00 4.20 -1.91 0.23 115.11 118.21 1xz2 h GLN 54 Ca -0.01 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1xz2 h GLN 54 Cb 1.18 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1xz2 h GLN 54 CO 0.09 0.90 -0.00 0.28 -0.67 0.00 0.00 178.83 179.42 1xz2 h VAL 55 N 0.76 1.26 -0.64 -0.54 2.07 -1.76 0.20 116.25 117.60 1xz2 h VAL 55 Ca 0.15 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1xz2 h VAL 55 Cb 0.47 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1xz2 h VAL 55 CO 0.02 0.31 0.37 0.11 0.02 0.00 0.00 177.57 178.40 1xz2 h LYS 56 N 0.36 0.88 -0.33 1.57 1.57 -1.14 0.17 116.57 119.65 1xz2 h LYS 56 Ca 0.09 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xz2 h LYS 56 Cb 0.44 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1xz2 h LYS 56 CO 0.02 0.65 0.09 0.78 -0.57 0.00 0.00 179.45 180.41 1xz2 h GLY 57 N 0.87 0.57 1.46 3.86 0.00 -0.29 -2.27 103.07 107.26 1xz2 h GLY 57 Ca 0.23 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1xz2 h GLY 57 CO -0.04 0.33 -0.19 0.84 0.00 0.00 0.00 176.54 177.48 1xz2 h HIS 58 N 0.38 0.71 -0.76 5.60 -0.00 -0.36 -2.45 115.15 118.27 1xz2 h HIS 58 Ca 0.11 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1xz2 h HIS 58 Cb 0.28 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 1xz2 h HIS 58 CO 0.01 0.78 0.39 0.78 -0.00 0.00 0.00 177.93 179.89 1xz2 h GLY 59 N 0.99 1.14 0.98 5.26 0.00 -0.52 -1.08 103.07 109.84 1xz2 h GLY 59 Ca 0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1xz2 h GLY 59 CO 0.05 0.51 0.27 1.70 0.00 0.00 0.00 176.54 179.06 1xz2 h LYS 60 N 1.07 0.75 -0.65 4.80 3.64 -1.03 -1.24 116.57 123.91 1xz2 h LYS 60 Ca 0.26 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1xz2 h LYS 60 Cb 0.07 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1xz2 h LYS 60 CO -0.04 0.60 0.11 0.87 -2.27 0.00 0.00 179.45 178.72 1xz2 h LYS 61 N 0.70 1.07 -0.46 1.90 1.57 -0.87 -0.80 116.57 119.69 1xz2 h LYS 61 Ca 0.18 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1xz2 h LYS 61 Cb 0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1xz2 h LYS 61 CO -0.03 0.98 0.19 0.28 -0.57 0.00 0.00 179.45 180.31 1xz2 h VAL 62 N 0.98 1.20 -0.56 0.50 2.07 -1.12 -1.70 116.25 117.63 1xz2 h VAL 62 Ca 0.20 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1xz2 h VAL 62 Cb 0.43 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1xz2 h VAL 62 CO 0.01 0.23 0.25 0.00 0.02 0.00 0.00 177.57 178.08 1xz2 h ALA 63 N 1.04 0.72 -0.25 1.67 0.00 -0.92 -1.70 119.26 119.82 1xz2 h ALA 63 Ca 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xz2 h ALA 63 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xz2 h ALA 63 CO -0.01 0.30 0.01 -0.44 0.00 0.00 0.00 179.25 179.10 1xz2 h ASP 64 N 0.75 0.33 -0.36 0.00 3.32 -0.99 0.18 116.42 119.66 1xz2 h ASP 64 Ca 0.19 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 1xz2 h ASP 64 Cb 0.14 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1xz2 h ASP 64 CO -0.02 0.39 -0.27 0.00 -1.72 0.00 0.00 179.24 177.61 1xz2 h ALA 65 N 1.66 0.52 -0.69 3.45 0.00 -0.73 -1.78 119.26 121.69 1xz2 h ALA 65 Ca 0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1xz2 h ALA 65 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xz2 h ALA 65 CO 0.00 0.53 0.16 -0.07 0.00 0.00 0.00 179.25 179.87 1xz2 h LEU 66 N 0.61 1.05 -0.75 0.00 3.38 -0.77 -0.88 115.31 117.95 1xz2 h LEU 66 Ca 0.07 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1xz2 h LEU 66 Cb 0.85 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1xz2 h LEU 66 CO 0.07 1.01 0.48 0.74 0.09 0.00 0.00 178.44 180.83 1xz2 h THR 67 N 1.03 1.12 -0.60 0.22 2.02 -0.82 -0.00 112.91 115.88 1xz2 h THR 67 Ca 0.21 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1xz2 h THR 67 Cb 0.38 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1xz2 h THR 67 CO 0.00 0.17 0.19 -1.13 0.37 0.00 0.00 175.52 175.13 1xz2 h ASN 68 N 0.93 0.83 -0.65 4.18 -1.24 -0.99 -1.71 115.58 116.94 1xz2 h ASN 68 Ca 0.30 -0.13 -0.06 0.00 0.71 0.00 0.00 56.30 57.12 1xz2 h ASN 68 Cb 0.00 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 1xz2 h ASN 68 CO -0.11 0.78 0.18 0.00 -1.29 0.00 0.00 177.43 176.99 1xz2 h ALA 69 N 1.33 0.86 -0.52 1.57 0.00 -0.13 -1.39 119.26 120.98 1xz2 h ALA 69 Ca 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1xz2 h ALA 69 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xz2 h ALA 69 CO -0.01 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.11 1xz2 h VAL 70 N 0.96 1.26 -0.45 0.00 2.07 -0.77 -1.06 116.25 118.26 1xz2 h VAL 70 Ca 0.21 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1xz2 h VAL 70 Cb 0.34 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1xz2 h VAL 70 CO -0.00 0.37 0.20 0.00 0.02 0.00 0.00 177.57 178.16 1xz2 h ALA 71 N 0.95 1.50 -1.04 1.67 0.00 -1.14 -2.99 119.26 118.22 1xz2 h ALA 71 Ca 0.15 -0.11 -0.62 0.00 0.00 0.00 0.00 54.91 54.33 1xz2 h ALA 71 Cb 0.49 -0.19 -0.37 0.00 0.00 0.00 0.00 17.79 17.72 1xz2 h ALA 71 CO 0.02 0.39 -0.15 0.72 0.00 0.00 0.00 179.25 180.24 1xz2 n HIS 72 N -4.38 3.06 0.30 0.00 8.25 -0.54 -4.81 115.22 117.10 1xz2 n HIS 72 Ca 0.03 -2.64 0.15 0.00 -0.26 0.00 0.00 57.72 55.00 1xz2 n HIS 72 Cb 0.14 -0.64 0.91 0.00 1.12 0.00 0.00 29.99 31.52 1xz2 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xz2 h VAL 73 N 2.00 0.51 -0.00 1.59 3.04 -1.05 -2.06 116.25 120.28 1xz2 h VAL 73 Ca 0.43 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 1xz2 h VAL 73 Cb 1.00 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1xz2 h VAL 73 CO 1.07 0.01 -0.32 0.47 -1.01 0.00 0.00 177.57 177.79 1xz2 n ASP 74 N -3.79 0.64 -2.99 3.17 8.00 -1.26 -4.19 116.55 116.12 1xz2 n ASP 74 Ca -0.03 -0.47 -0.14 0.00 0.71 0.00 0.00 54.79 54.86 1xz2 n ASP 74 Cb 0.10 0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1xz2 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xz2 n ASP 75 N -1.11 -0.20 -0.23 -2.24 2.03 -0.80 -4.99 116.55 109.00 1xz2 n ASP 75 Ca 0.09 -3.18 -0.08 0.00 0.52 0.00 0.00 54.79 52.14 1xz2 n ASP 75 Cb 0.33 0.23 0.04 0.00 -0.72 0.00 0.00 41.12 41.00 1xz2 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xz2 h MET 76 N 2.96 1.02 -0.33 -0.67 2.86 -1.66 -2.66 114.93 116.45 1xz2 h MET 76 Ca 0.01 -0.23 0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1xz2 h MET 76 Cb 1.04 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1xz2 h MET 76 CO 0.37 0.90 0.24 -1.35 1.06 0.00 0.00 176.91 178.13 1xz2 h PRO 77 N 0.94 0.00 0.15 -0.22 0.11 -1.94 0.13 132.00 131.17 1xz2 h PRO 77 Ca 0.21 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.96 1xz2 h PRO 77 Cb 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1xz2 h PRO 77 CO -0.00 0.00 -1.87 -0.91 -0.21 0.00 0.00 178.00 175.00 1xz2 h ASN 78 N 0.00 0.51 0.08 -2.05 2.35 -1.96 -3.16 115.58 111.35 1xz2 h ASN 78 Ca 0.16 -0.93 -0.03 0.00 -0.55 0.00 0.00 56.30 54.95 1xz2 h ASN 78 Cb 0.64 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1xz2 h ASN 78 CO -0.00 1.81 -0.12 0.00 -1.65 0.00 0.00 177.43 177.47 1xz2 h ALA 79 N 0.11 1.70 -0.52 -0.83 0.00 -1.01 -2.49 119.26 116.22 1xz2 h ALA 79 Ca -0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xz2 h ALA 79 Cb 2.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1xz2 h ALA 79 CO 0.13 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.89 1xz2 n LEU 80 N -4.35 3.45 -0.25 0.00 4.77 0.38 -4.73 117.00 116.27 1xz2 n LEU 80 Ca -0.02 -2.04 0.06 0.00 -0.03 0.00 0.00 56.01 53.98 1xz2 n LEU 80 Cb 0.22 -0.36 0.19 0.00 -2.33 0.00 0.00 43.42 41.13 1xz2 n LEU 80 CO 0.36 0.84 0.93 -1.28 -1.33 0.00 0.00 177.39 176.92 1xz2 h SER 81 N 3.03 0.02 -0.60 -1.43 0.87 -1.40 0.27 113.55 114.30 1xz2 h SER 81 Ca 0.00 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1xz2 h SER 81 Cb 0.88 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 1xz2 h SER 81 CO 0.02 -0.04 0.20 0.00 -0.53 0.00 0.00 176.83 176.48 1xz2 h ALA 82 N 1.62 0.78 -0.51 6.23 0.00 -1.85 -2.15 119.26 123.38 1xz2 h ALA 82 Ca 0.42 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1xz2 h ALA 82 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xz2 h ALA 82 CO -0.52 0.43 -0.09 -0.07 0.00 0.00 0.00 179.25 179.00 1xz2 h LEU 83 N 0.84 0.96 -1.32 0.00 3.38 -1.45 -1.54 115.31 116.18 1xz2 h LEU 83 Ca 0.19 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1xz2 h LEU 83 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xz2 h LEU 83 CO -0.01 1.08 -0.18 0.77 0.09 0.00 0.00 178.44 180.20 1xz2 h SER 84 N 0.82 0.22 -0.03 -0.43 4.64 -0.91 0.22 113.55 118.09 1xz2 h SER 84 Ca 0.13 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1xz2 h SER 84 Cb 0.64 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1xz2 h SER 84 CO 0.04 0.42 -0.01 0.44 -0.87 0.00 0.00 176.83 176.85 1xz2 h ASP 85 N 0.22 0.07 -0.76 4.97 3.32 -1.15 -1.80 116.42 121.28 1xz2 h ASP 85 Ca 0.04 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.72 1xz2 h ASP 85 Cb 0.45 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1xz2 h ASP 85 CO 0.03 0.45 0.49 0.25 -1.72 0.00 0.00 179.24 178.74 1xz2 h LEU 86 N -0.32 0.81 -0.36 1.55 5.85 -0.89 -0.34 115.31 121.61 1xz2 h LEU 86 Ca 0.01 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1xz2 h LEU 86 Cb 0.43 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1xz2 h LEU 86 CO 0.00 0.57 -0.34 0.45 -0.34 0.00 0.00 178.44 178.78 1xz2 h HIS 87 N 0.96 1.05 -0.14 1.25 3.86 -0.97 -1.03 115.15 120.13 1xz2 h HIS 87 Ca 0.30 -0.31 -0.19 0.00 -1.16 0.00 0.00 60.37 59.01 1xz2 h HIS 87 Cb -0.01 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 1xz2 h HIS 87 CO -0.03 1.12 -0.69 0.00 0.86 0.00 0.00 177.93 179.19 1xz2 h ALA 88 N 0.76 0.52 0.00 2.45 0.00 -1.12 0.37 119.26 122.25 1xz2 h ALA 88 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xz2 h ALA 88 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xz2 h ALA 88 CO 0.09 0.72 -1.35 0.72 0.00 0.00 0.00 179.25 179.42 1xz2 n HIS 89 N -3.91 0.00 0.03 0.00 8.25 -0.16 -4.60 115.22 114.84 1xz2 n HIS 89 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1xz2 n HIS 89 Cb 0.69 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1xz2 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xz2 n LYS 90 N -1.79 0.00 -0.09 -0.41 0.00 -0.79 -4.87 118.16 110.21 1xz2 n LYS 90 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.19 1xz2 n LYS 90 Cb 0.34 -0.29 -0.04 0.00 0.00 0.00 0.00 35.03 35.04 1xz2 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1xz2 h LEU 91 N 0.00 0.51 -1.91 3.14 3.38 -1.31 -3.48 115.31 115.65 1xz2 h LEU 91 Ca 0.00 -0.35 -0.40 0.00 0.09 0.00 0.00 57.88 57.22 1xz2 h LEU 91 Cb 0.00 -0.14 0.08 0.00 0.09 0.00 0.00 40.66 40.69 1xz2 h LEU 91 CO 0.00 0.74 -0.83 0.54 0.09 0.00 0.00 178.44 178.97 1xz2 n ARG 92 N -4.55 -4.68 -2.66 1.13 1.74 0.13 -4.94 116.66 102.83 1xz2 n ARG 92 Ca -0.03 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.28 1xz2 n ARG 92 Cb 0.29 -5.22 -0.03 0.00 -1.02 0.00 0.00 32.46 26.48 1xz2 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xz2 s VAL 93 N -3.61 4.66 0.26 1.55 1.01 -1.26 -4.98 120.40 118.03 1xz2 s VAL 93 Ca 0.06 1.95 -0.31 0.00 0.00 0.00 0.00 61.98 63.69 1xz2 s VAL 93 Cb -0.02 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 1xz2 s VAL 93 CO 0.80 0.18 1.65 -0.62 0.00 0.00 0.00 175.10 177.11 1xz2 s ASP 94 N 0.85 6.38 0.57 3.32 2.15 -1.26 -4.85 116.67 123.82 1xz2 s ASP 94 Ca 0.52 2.91 0.30 0.00 0.43 0.00 0.00 52.55 56.72 1xz2 s ASP 94 Cb -0.23 -2.62 1.45 0.00 -0.30 0.00 0.00 42.92 41.22 1xz2 s ASP 94 CO 0.29 -0.94 1.85 -0.65 -0.17 0.00 0.00 175.17 175.55 1xz2 h PRO 95 N 5.65 0.00 -0.08 4.34 0.11 -2.00 -1.98 132.00 138.04 1xz2 h PRO 95 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xz2 h PRO 95 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1xz2 h PRO 95 CO 0.86 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 178.26 1xz2 h VAL 96 N 0.00 1.06 0.00 3.15 -1.51 -2.03 -2.57 116.25 114.34 1xz2 h VAL 96 Ca 0.31 -0.22 -0.05 0.00 -1.23 0.00 0.00 66.70 65.51 1xz2 h VAL 96 Cb 1.49 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1xz2 h VAL 96 CO -0.00 0.07 -0.23 0.78 -1.23 0.00 0.00 177.57 176.96 1xz2 h ASN 97 N 0.12 0.00 -0.38 4.19 2.35 -1.72 -2.60 115.58 117.54 1xz2 h ASN 97 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1xz2 h ASN 97 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1xz2 h ASN 97 CO 0.00 0.23 0.13 -0.26 -1.65 0.00 0.00 177.43 175.88 1xz2 h PHE 98 N 0.00 0.66 -0.42 1.19 0.04 -1.64 -1.79 116.94 114.98 1xz2 h PHE 98 Ca -0.00 -0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 1xz2 h PHE 98 Cb 0.52 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1xz2 h PHE 98 CO 0.00 0.56 -0.02 0.87 -0.60 0.00 0.00 178.31 179.11 1xz2 h LYS 99 N 0.64 0.70 -0.30 1.51 1.57 -1.60 -1.27 116.57 117.82 1xz2 h LYS 99 Ca 0.15 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1xz2 h LYS 99 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1xz2 h LYS 99 CO -0.01 0.73 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.39 1xz2 h LEU 100 N 0.65 0.64 -0.61 2.94 3.38 -1.38 -1.39 115.31 119.54 1xz2 h LEU 100 Ca 0.13 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 1xz2 h LEU 100 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xz2 h LEU 100 CO 0.02 0.90 -0.21 0.25 0.09 0.00 0.00 178.44 179.49 1xz2 h LEU 101 N 0.37 0.89 -0.22 1.67 5.85 -1.22 -2.44 115.31 120.22 1xz2 h LEU 101 Ca 0.07 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1xz2 h LEU 101 Cb 0.66 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1xz2 h LEU 101 CO 0.04 1.07 0.14 0.28 -0.34 0.00 0.00 178.44 179.63 1xz2 h SER 102 N 0.76 0.23 -0.57 1.25 0.02 -1.08 -0.34 113.55 113.81 1xz2 h SER 102 Ca 0.10 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.14 1xz2 h SER 102 Cb 0.75 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.17 1xz2 h SER 102 CO 0.06 0.17 0.20 -0.74 -1.14 0.00 0.00 176.83 175.37 1xz2 h HIS 103 N 0.28 0.34 -0.06 3.45 -0.00 -1.15 -1.29 115.15 116.72 1xz2 h HIS 103 Ca 0.08 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1xz2 h HIS 103 Cb -0.02 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1xz2 h HIS 103 CO -0.07 0.08 -0.42 0.00 -0.00 0.00 0.00 177.93 177.52 1xz2 h LEU 105 N 0.10 0.80 -0.40 0.00 3.38 -0.68 -0.78 115.31 117.73 1xz2 h LEU 105 Ca 0.01 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1xz2 h LEU 105 Cb 0.80 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1xz2 h LEU 105 CO 0.06 0.93 0.21 -0.07 0.09 0.00 0.00 178.44 179.66 1xz2 h LEU 106 N 0.64 0.50 -0.49 1.67 3.38 -0.79 0.02 115.31 120.25 1xz2 h LEU 106 Ca 0.12 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xz2 h LEU 106 Cb 0.54 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1xz2 h LEU 106 CO 0.03 0.46 0.29 0.58 0.09 0.00 0.00 178.44 179.89 1xz2 h VAL 107 N 0.51 1.04 -0.21 1.22 2.07 -1.04 0.03 116.25 119.88 1xz2 h VAL 107 Ca 0.14 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xz2 h VAL 107 Cb 0.07 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1xz2 h VAL 107 CO -0.02 0.11 0.13 0.74 0.02 0.00 0.00 177.57 178.55 1xz2 h THR 108 N 0.58 1.07 -0.56 2.57 2.02 -0.76 -1.30 112.91 116.53 1xz2 h THR 108 Ca 0.20 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1xz2 h THR 108 Cb 0.03 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1xz2 h THR 108 CO -0.09 0.07 0.29 -0.07 0.37 0.00 0.00 175.52 176.08 1xz2 h LEU 109 N 0.27 0.71 -0.81 2.58 3.38 -0.77 -2.43 115.31 118.24 1xz2 h LEU 109 Ca 0.08 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1xz2 h LEU 109 Cb -0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1xz2 h LEU 109 CO -0.02 0.61 0.49 0.00 0.09 0.00 0.00 178.44 179.61 1xz2 h ALA 110 N 1.12 1.12 0.00 1.53 0.00 -0.75 0.18 119.26 122.46 1xz2 h ALA 110 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xz2 h ALA 110 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xz2 h ALA 110 CO -0.03 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1xz2 h ALA 111 N 1.40 1.00 0.00 0.00 0.00 -0.78 -3.23 119.26 117.66 1xz2 h ALA 111 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1xz2 h ALA 111 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xz2 h ALA 111 CO -0.19 0.00 -1.23 0.72 0.00 0.00 0.00 179.25 178.54 1xz2 n HIS 112 N -2.77 0.00 -3.23 0.00 -0.00 -0.61 -4.80 115.22 103.81 1xz2 n HIS 112 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.49 1xz2 n HIS 112 Cb 0.28 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.02 1xz2 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xz2 n LEU 113 N -1.71 2.33 -0.02 2.41 4.77 0.55 -4.96 117.00 120.37 1xz2 n LEU 113 Ca -0.01 -5.19 -0.11 0.00 -0.03 0.00 0.00 56.01 50.68 1xz2 n LEU 113 Cb 0.26 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1xz2 n LEU 113 CO 0.23 2.15 0.63 -0.65 -1.33 0.00 0.00 177.39 178.42 1xz2 h PRO 114 N 3.72 -0.38 -0.39 3.23 0.11 -1.83 -1.57 132.00 134.89 1xz2 h PRO 114 Ca 0.13 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 1xz2 h PRO 114 Cb 0.75 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1xz2 h PRO 114 CO 0.67 -0.26 -0.18 0.00 -0.21 0.00 0.00 178.00 178.02 1xz2 h ALA 115 N 0.40 0.95 0.00 -0.75 0.00 -1.94 -3.24 119.26 114.67 1xz2 h ALA 115 Ca 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1xz2 h ALA 115 Cb 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xz2 h ALA 115 CO -0.39 0.61 -0.44 0.93 0.00 0.00 0.00 179.25 179.96 1xz2 h GLU 116 N 0.66 0.00 -2.99 0.00 3.07 -1.90 -3.39 114.58 110.02 1xz2 h GLU 116 Ca 0.10 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.27 1xz2 h GLU 116 Cb 0.67 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1xz2 h GLU 116 CO 0.05 0.02 3.49 0.34 -1.40 0.00 0.00 179.01 181.52 1xz2 n PHE 117 N -2.93 2.54 -1.64 4.33 7.35 -0.62 -4.76 117.46 121.71 1xz2 n PHE 117 Ca 0.02 -3.03 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1xz2 n PHE 117 Cb 0.55 -2.36 0.10 0.00 0.35 0.00 0.00 39.48 38.12 1xz2 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xz2 s THR 118 N 1.52 2.64 0.38 -2.13 -4.23 -1.26 -4.76 115.64 107.80 1xz2 s THR 118 Ca 0.65 0.21 0.07 0.00 -1.18 0.00 0.00 61.69 61.43 1xz2 s THR 118 Cb 0.18 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.29 1xz2 s THR 118 CO -0.07 -0.27 1.98 -0.65 -0.54 0.00 0.00 174.62 175.07 1xz2 h PRO 119 N -1.15 0.67 -0.46 3.99 0.11 -1.99 0.10 132.00 133.27 1xz2 h PRO 119 Ca -0.48 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1xz2 h PRO 119 Cb 1.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1xz2 h PRO 119 CO 0.62 0.44 -0.10 0.00 -0.21 0.00 0.00 178.00 178.75 1xz2 h ALA 120 N 1.64 0.63 -0.28 -0.75 0.00 -1.96 -1.66 119.26 116.88 1xz2 h ALA 120 Ca 0.28 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1xz2 h ALA 120 Cb 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xz2 h ALA 120 CO -0.09 0.52 -0.53 0.28 0.00 0.00 0.00 179.25 179.44 1xz2 h VAL 121 N 0.72 1.28 -0.37 0.00 2.07 -1.72 -2.09 116.25 116.15 1xz2 h VAL 121 Ca 0.12 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 65.97 1xz2 h VAL 121 Cb 0.64 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1xz2 h VAL 121 CO 0.04 0.56 0.11 -0.74 0.02 0.00 0.00 177.57 177.56 1xz2 h HIS 122 N 0.63 0.19 -0.67 1.57 6.17 -0.88 0.18 115.15 122.34 1xz2 h HIS 122 Ca 0.02 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.09 1xz2 h HIS 122 Cb 1.12 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.99 1xz2 h HIS 122 CO 0.06 0.06 0.31 0.00 0.71 0.00 0.00 177.93 179.08 1xz2 h ALA 123 N 1.25 0.86 -0.43 5.26 0.00 -1.14 -0.32 119.26 124.75 1xz2 h ALA 123 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xz2 h ALA 123 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xz2 h ALA 123 CO -0.20 0.43 -0.13 0.77 0.00 0.00 0.00 179.25 180.13 1xz2 h SER 124 N 0.93 0.85 -0.58 0.00 0.02 -0.97 -2.15 113.55 111.64 1xz2 h SER 124 Ca 0.23 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1xz2 h SER 124 Cb 0.13 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1xz2 h SER 124 CO -0.03 1.03 0.23 -0.07 -1.14 0.00 0.00 176.83 176.85 1xz2 h LEU 125 N 0.66 0.81 -0.41 5.07 3.38 -0.81 0.19 115.31 124.21 1xz2 h LEU 125 Ca 0.11 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xz2 h LEU 125 Cb 0.67 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1xz2 h LEU 125 CO 0.05 0.76 0.24 -0.78 0.09 0.00 0.00 178.44 178.81 1xz2 h ASP 126 N 0.81 0.40 -0.82 -0.43 3.58 -0.93 -0.32 116.42 118.71 1xz2 h ASP 126 Ca 0.19 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1xz2 h ASP 126 Cb 0.21 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 1xz2 h ASP 126 CO -0.01 0.29 0.36 0.11 -2.88 0.00 0.00 179.24 177.11 1xz2 h LYS 127 N 0.49 1.20 -0.01 0.28 1.57 -1.11 -1.66 116.57 117.32 1xz2 h LYS 127 Ca 0.16 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xz2 h LYS 127 Cb -0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1xz2 h LYS 127 CO -0.07 0.94 0.01 0.35 -0.57 0.00 0.00 179.45 180.11 1xz2 h PHE 128 N 1.18 0.02 -0.28 -1.35 3.57 -0.54 -0.51 116.94 119.02 1xz2 h PHE 128 Ca 0.28 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1xz2 h PHE 128 Cb 0.16 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1xz2 h PHE 128 CO 0.02 0.13 0.02 -0.07 -2.23 0.00 0.00 178.31 176.18 1xz2 h LEU 129 N -0.09 0.39 -0.62 0.59 3.38 -0.95 -0.91 115.31 117.09 1xz2 h LEU 129 Ca 0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1xz2 h LEU 129 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1xz2 h LEU 129 CO -0.00 0.43 -0.25 0.00 0.09 0.00 0.00 178.44 178.72 1xz2 h ALA 130 N 1.62 0.81 -0.55 1.53 0.00 -1.04 -0.98 119.26 120.64 1xz2 h ALA 130 Ca 0.09 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1xz2 h ALA 130 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xz2 h ALA 130 CO 0.00 0.65 -0.06 0.77 0.00 0.00 0.00 179.25 180.62 1xz2 h SER 131 N 0.71 1.01 -0.67 0.00 0.02 -0.38 -0.10 113.55 114.14 1xz2 h SER 131 Ca 0.09 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1xz2 h SER 131 Cb 0.78 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1xz2 h SER 131 CO 0.06 1.10 0.22 0.58 -1.14 0.00 0.00 176.83 177.65 1xz2 h VAL 132 N 0.89 1.25 -0.47 2.27 2.07 -1.06 -1.29 116.25 119.92 1xz2 h VAL 132 Ca 0.15 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1xz2 h VAL 132 Cb 0.61 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1xz2 h VAL 132 CO 0.04 0.33 0.23 0.28 0.02 0.00 0.00 177.57 178.47 1xz2 h SER 133 N 0.97 0.60 -0.96 0.57 0.02 -0.91 -0.48 113.55 113.36 1xz2 h SER 133 Ca 0.22 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1xz2 h SER 133 Cb 0.28 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1xz2 h SER 133 CO -0.01 0.55 0.64 0.74 -1.14 0.00 0.00 176.83 177.61 1xz2 h THR 134 N 0.61 1.24 -0.37 -2.27 2.02 -0.73 -1.54 112.91 111.87 1xz2 h THR 134 Ca 0.16 -0.45 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 1xz2 h THR 134 Cb 0.10 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 1xz2 h THR 134 CO -0.02 0.24 -0.14 0.58 0.37 0.00 0.00 175.52 176.55 1xz2 h VAL 135 N 1.30 1.28 0.00 3.16 2.07 -0.46 -2.05 116.25 121.55 1xz2 h VAL 135 Ca 0.36 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1xz2 h VAL 135 Cb -0.13 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1xz2 h VAL 135 CO -0.08 0.41 -0.05 -0.07 0.02 0.00 0.00 177.57 177.80 1xz2 h LEU 136 N 0.55 0.00 -2.46 2.57 3.38 -0.60 -2.66 115.31 116.10 1xz2 h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xz2 h LEU 136 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xz2 h LEU 136 CO 0.05 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.98 1xz2 n THR 137 N -3.27 0.70 0.30 0.22 -2.24 -0.63 -4.49 114.28 104.88 1xz2 n THR 137 Ca -0.01 -0.85 0.19 0.00 -2.27 0.00 0.00 64.05 61.11 1xz2 n THR 137 Cb 0.24 0.73 0.86 0.00 -2.10 0.00 0.00 70.33 70.05 1xz2 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xz2 h SER 138 N 2.29 0.00 -0.35 3.42 4.64 -1.00 -2.92 113.55 119.64 1xz2 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xz2 h SER 138 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1xz2 h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1xz2 n LYS 139 N -3.00 3.06 0.12 4.77 5.02 -1.26 -4.66 118.16 122.21 1xz2 n LYS 139 Ca -0.01 -2.56 0.04 0.00 -2.02 0.00 0.00 58.31 53.77 1xz2 n LYS 139 Cb 0.21 -1.64 0.47 0.00 -0.02 0.00 0.00 35.03 34.05 1xz2 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xz2 h TYR 140 N 2.21 0.26 0.00 2.13 0.99 -1.84 -3.47 116.97 117.26 1xz2 h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1xz2 h TYR 140 Cb 1.19 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 38.84 1xz2 h TYR 140 CO 0.44 0.25 0.00 2.89 -0.00 0.00 0.00 178.16 181.74