#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 4.19 0.75 7.52 1.43 -1.26 -5.04 118.68 126.26 1xz2 s LEU 2 Ca 0.00 1.68 -0.09 0.00 -1.03 0.00 0.00 54.13 54.69 1xz2 s LEU 2 Cb 0.00 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.75 1xz2 s LEU 2 CO 0.00 -0.72 1.08 -0.94 0.23 0.00 0.00 176.35 176.00 1xz2 s SER 3 N 1.81 4.66 0.31 2.29 1.04 -1.26 -4.86 113.70 117.68 1xz2 s SER 3 Ca 0.54 0.54 0.03 0.00 0.48 0.00 0.00 55.95 57.54 1xz2 s SER 3 Cb -0.21 -1.12 0.63 0.00 0.10 0.00 0.00 66.02 65.41 1xz2 s SER 3 CO 0.15 -1.74 1.88 -0.65 0.98 0.00 0.00 173.24 173.86 1xz2 h PRO 4 N -0.78 0.89 -0.66 4.02 0.11 -1.99 -1.14 132.00 132.45 1xz2 h PRO 4 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1xz2 h PRO 4 Cb 1.32 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1xz2 h PRO 4 CO 0.61 0.59 0.26 0.00 -0.21 0.00 0.00 178.00 179.25 1xz2 h ALA 5 N 1.55 0.85 -0.65 -0.75 0.00 -1.99 -1.48 119.26 116.79 1xz2 h ALA 5 Ca 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xz2 h ALA 5 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1xz2 h ALA 5 CO -0.20 0.48 0.40 -0.44 0.00 0.00 0.00 179.25 179.49 1xz2 h ASP 6 N 0.93 0.77 -0.66 0.00 3.32 -1.67 -1.11 116.42 118.00 1xz2 h ASP 6 Ca 0.22 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 1xz2 h ASP 6 Cb 0.22 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1xz2 h ASP 6 CO -0.02 0.60 0.08 0.11 -1.72 0.00 0.00 179.24 178.29 1xz2 h LYS 7 N 0.88 1.12 -0.41 3.56 1.57 -0.94 -1.13 116.57 121.23 1xz2 h LYS 7 Ca 0.23 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1xz2 h LYS 7 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1xz2 h LYS 7 CO -0.04 1.04 0.10 1.15 -0.57 0.00 0.00 179.45 181.12 1xz2 h THR 8 N 1.03 1.23 -0.46 -0.16 2.02 -1.05 -1.69 112.91 113.83 1xz2 h THR 8 Ca 0.20 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1xz2 h THR 8 Cb 0.48 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1xz2 h THR 8 CO 0.02 0.27 0.28 0.78 0.37 0.00 0.00 175.52 177.24 1xz2 h ASN 9 N 0.52 0.55 -0.23 4.18 2.35 -0.95 -0.99 115.58 121.00 1xz2 h ASN 9 Ca 0.13 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1xz2 h ASN 9 Cb 0.31 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1xz2 h ASN 9 CO 0.00 0.44 0.05 0.58 -1.65 0.00 0.00 177.43 176.85 1xz2 h VAL 10 N 0.61 1.22 -0.78 2.81 2.07 -1.12 -1.51 116.25 119.54 1xz2 h VAL 10 Ca 0.16 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1xz2 h VAL 10 Cb -0.01 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1xz2 h VAL 10 CO -0.03 0.23 0.49 0.11 0.02 0.00 0.00 177.57 178.38 1xz2 h LYS 11 N 0.19 0.90 -0.27 1.57 1.57 -1.13 0.06 116.57 119.47 1xz2 h LYS 11 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1xz2 h LYS 11 Cb 0.30 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1xz2 h LYS 11 CO 0.00 0.59 0.07 0.00 -0.57 0.00 0.00 179.45 179.54 1xz2 h ALA 12 N 1.35 0.35 -0.19 3.86 0.00 -1.02 -1.75 119.26 121.86 1xz2 h ALA 12 Ca 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xz2 h ALA 12 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xz2 h ALA 12 CO -0.14 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.13 1xz2 h ALA 13 N 0.90 0.25 0.00 0.00 0.00 -1.03 -2.54 119.26 116.84 1xz2 h ALA 13 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xz2 h ALA 13 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xz2 h ALA 13 CO 0.00 -0.06 -0.31 2.35 0.00 0.00 0.00 179.25 181.23 1xz2 h TRP 14 N 0.10 0.00 -0.24 0.00 2.91 -0.98 -2.03 115.95 115.71 1xz2 h TRP 14 Ca 0.06 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.97 1xz2 h TRP 14 Cb 0.33 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 1xz2 h TRP 14 CO 0.02 0.31 -0.30 0.78 -1.03 0.00 0.00 178.44 178.22 1xz2 h GLY 15 N 0.99 0.54 1.82 2.65 0.00 -1.19 -1.46 103.07 106.42 1xz2 h GLY 15 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1xz2 h GLY 15 CO 0.04 0.43 -0.35 1.70 0.00 0.00 0.00 176.54 178.36 1xz2 h LYS 16 N 0.43 0.20 -0.29 4.80 3.11 -0.95 -2.76 116.57 121.11 1xz2 h LYS 16 Ca 0.06 -0.08 -0.05 0.00 -2.81 0.00 0.00 60.65 57.76 1xz2 h LYS 16 Cb 0.75 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 1xz2 h LYS 16 CO 0.06 0.53 -0.02 0.28 -2.81 0.00 0.00 179.45 177.49 1xz2 h VAL 17 N 0.18 1.27 0.00 2.00 2.07 -0.89 -3.46 116.25 117.41 1xz2 h VAL 17 Ca 0.02 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1xz2 h VAL 17 Cb 0.70 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1xz2 h VAL 17 CO 0.05 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1xz2 n GLY 18 N -0.27 2.29 0.00 2.17 0.00 -0.61 -0.91 105.19 107.86 1xz2 n GLY 18 Ca -0.03 0.33 0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 10.14 1.70 1.46 4.61 0.00 -1.26 -2.43 120.51 134.73 1xz2 n ALA 19 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.52 1xz2 n ALA 19 Cb 0.00 -1.23 0.49 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.44 0.01 -0.23 0.00 -0.00 -0.09 -4.50 115.22 108.97 1xz2 n HIS 20 Ca 0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.74 1xz2 n HIS 20 Cb 0.15 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.18 1xz2 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xz2 h ALA 21 N 4.37 0.20 -0.62 -1.41 0.00 -1.57 -0.43 119.26 119.79 1xz2 h ALA 21 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xz2 h ALA 21 Cb 0.53 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1xz2 h ALA 21 CO 0.00 -0.55 0.35 0.78 0.00 0.00 0.00 179.25 179.83 1xz2 h GLY 22 N -0.08 0.92 0.99 0.00 0.00 -1.84 0.40 103.07 103.45 1xz2 h GLY 22 Ca 0.29 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1xz2 h GLY 22 CO -0.72 0.39 0.29 -2.09 0.00 0.00 0.00 176.54 174.41 1xz2 h GLU 23 N 0.84 0.69 -0.32 4.80 4.81 -1.62 -2.06 114.58 121.72 1xz2 h GLU 23 Ca 0.22 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1xz2 h GLU 23 Cb 0.02 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1xz2 h GLU 23 CO -0.04 0.51 -0.25 1.88 -0.73 0.00 0.00 179.01 180.39 1xz2 h TYR 24 N 0.67 0.73 -0.78 0.92 0.99 -0.79 -1.75 116.97 116.96 1xz2 h TYR 24 Ca 0.18 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1xz2 h TYR 24 Cb 0.01 -0.17 -0.04 0.00 1.00 0.00 0.00 36.73 37.53 1xz2 h TYR 24 CO -0.02 0.83 0.43 0.78 -0.00 0.00 0.00 178.16 180.17 1xz2 h GLY 25 N 1.00 1.17 1.00 3.88 0.00 -0.61 -0.38 103.07 109.13 1xz2 h GLY 25 Ca 0.08 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1xz2 h GLY 25 CO 0.06 0.51 0.08 0.00 0.00 0.00 0.00 176.54 177.19 1xz2 h ALA 26 N 1.22 0.70 -0.34 3.60 0.00 -1.11 -2.29 119.26 121.04 1xz2 h ALA 26 Ca 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xz2 h ALA 26 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xz2 h ALA 26 CO -0.04 0.44 0.23 1.49 0.00 0.00 0.00 179.25 181.36 1xz2 h GLU 27 N 0.75 0.45 -0.92 0.00 4.81 -1.00 -1.56 114.58 117.11 1xz2 h GLU 27 Ca 0.16 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1xz2 h GLU 27 Cb 0.41 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 1xz2 h GLU 27 CO 0.01 0.30 0.59 0.00 -0.73 0.00 0.00 179.01 179.18 1xz2 h ALA 28 N 1.12 1.25 -0.42 2.92 0.00 -0.94 0.47 119.26 123.66 1xz2 h ALA 28 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xz2 h ALA 28 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1xz2 h ALA 28 CO -0.03 0.41 0.11 -0.07 0.00 0.00 0.00 179.25 179.68 1xz2 h LEU 29 N 1.12 0.63 -0.88 0.00 3.38 -1.07 -1.39 115.31 117.09 1xz2 h LEU 29 Ca 0.38 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1xz2 h LEU 29 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xz2 h LEU 29 CO -0.15 0.69 0.08 -0.08 0.09 0.00 0.00 178.44 179.07 1xz2 h GLU 30 N 0.54 0.91 -0.48 1.13 4.81 -0.53 -0.82 114.58 120.14 1xz2 h GLU 30 Ca 0.13 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1xz2 h GLU 30 Cb 0.30 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1xz2 h GLU 30 CO -0.00 0.85 0.30 0.00 -0.73 0.00 0.00 179.01 179.43 1xz2 h ARG 31 N 0.86 0.59 -0.17 1.92 3.08 -0.70 -2.43 114.38 117.52 1xz2 h ARG 31 Ca 0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1xz2 h ARG 31 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1xz2 h ARG 31 CO 0.01 0.39 0.07 1.98 -1.07 0.00 0.00 179.97 181.35 1xz2 h MET 32 N 0.60 0.25 -0.78 0.04 4.05 -0.86 -0.85 114.93 117.38 1xz2 h MET 32 Ca 0.19 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1xz2 h MET 32 Cb -0.02 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 1xz2 h MET 32 CO -0.07 0.32 0.51 0.74 0.23 0.00 0.00 176.91 178.64 1xz2 h PHE 33 N 0.12 0.94 0.23 1.39 0.04 -1.07 0.50 116.94 119.10 1xz2 h PHE 33 Ca 0.06 0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.52 1xz2 h PHE 33 Cb 0.16 -0.31 0.04 0.00 2.20 0.00 0.00 35.95 38.03 1xz2 h PHE 33 CO -0.02 0.56 -1.44 -0.07 -0.60 0.00 0.00 178.31 176.74 1xz2 h LEU 34 N 0.98 0.84 0.08 1.54 3.38 -1.38 -3.28 115.31 117.47 1xz2 h LEU 34 Ca 0.30 -0.88 -0.26 0.00 0.09 0.00 0.00 57.88 57.14 1xz2 h LEU 34 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1xz2 h LEU 34 CO -0.08 1.68 -1.20 0.28 0.09 0.00 0.00 178.44 179.21 1xz2 h SER 35 N 0.16 0.27 -2.61 -0.43 0.02 -1.05 -3.40 113.55 106.52 1xz2 h SER 35 Ca -0.24 -0.30 -0.60 0.00 -0.84 0.00 0.00 61.79 59.80 1xz2 h SER 35 Cb 2.13 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 64.18 1xz2 h SER 35 CO 0.27 1.24 -0.80 0.49 -1.14 0.00 0.00 176.83 176.89 1xz2 n PHE 36 N -3.45 1.12 0.32 3.45 3.01 0.16 -4.99 117.46 117.07 1xz2 n PHE 36 Ca -0.07 -3.79 0.19 0.00 1.01 0.00 0.00 57.45 54.79 1xz2 n PHE 36 Cb 1.00 -0.20 1.07 0.00 -0.01 0.00 0.00 39.48 41.34 1xz2 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xz2 h PRO 37 N 5.30 0.00 0.00 -1.08 0.11 -1.74 -1.23 132.00 133.36 1xz2 h PRO 37 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1xz2 h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xz2 h PRO 37 CO 0.55 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 180.09 1xz2 h THR 38 N 0.00 0.44 0.00 -1.15 1.35 -1.92 -1.80 112.91 109.83 1xz2 h THR 38 Ca -0.00 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 1xz2 h THR 38 Cb 0.01 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1xz2 h THR 38 CO 0.00 0.04 -0.07 0.71 -0.25 0.00 0.00 175.52 175.95 1xz2 h THR 39 N 0.00 0.44 0.00 6.82 1.35 -1.55 -2.21 112.91 117.76 1xz2 h THR 39 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1xz2 h THR 39 Cb 0.14 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1xz2 h THR 39 CO 0.01 0.07 0.00 0.11 -0.25 0.00 0.00 175.52 175.46 1xz2 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.51 -2.88 116.57 118.47 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xz2 h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1xz2 h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.59 -0.99 112.91 111.52 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 0.08 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1xz2 h THR 41 CO 0.00 0.00 -0.39 -1.22 -0.25 0.00 0.00 175.52 173.66 1xz2 n TYR 42 N -2.97 0.00 -2.64 4.73 4.01 -1.09 -4.39 117.16 114.81 1xz2 n TYR 42 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1xz2 n TYR 42 Cb 0.13 -0.16 -0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.96 2.77 0.43 -0.72 3.01 -0.38 -4.87 117.46 116.75 1xz2 n PHE 43 Ca 0.09 -3.23 0.13 0.00 1.01 0.00 0.00 57.45 55.45 1xz2 n PHE 43 Cb 0.35 -0.24 0.48 0.00 -0.01 0.00 0.00 39.48 40.06 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 2.77 0.00 -0.01 -1.08 0.13 -1.77 -2.46 132.00 129.59 1xz2 h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1xz2 h PRO 44 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1xz2 h PRO 44 CO 0.74 0.00 -0.18 -2.39 -0.23 0.00 0.00 178.00 175.94 1xz2 n HIS 45 N -2.43 0.00 -3.62 1.56 1.44 -1.26 -4.92 115.22 105.99 1xz2 n HIS 45 Ca 0.03 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.42 1xz2 n HIS 45 Cb 0.31 -0.10 -0.05 0.00 0.12 0.00 0.00 29.99 30.27 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 -2.38 3.47 -0.32 -1.40 2.99 -0.93 -5.06 117.98 114.35 1xz2 s PHE 46 Ca 0.28 0.63 -0.25 0.00 0.00 0.00 0.00 56.93 57.59 1xz2 s PHE 46 Cb 0.20 -2.06 0.01 0.00 0.00 0.00 0.00 43.02 41.16 1xz2 s PHE 46 CO 0.47 0.41 0.89 0.34 -0.00 0.00 0.00 175.22 177.33 1xz2 s ASP 47 N -2.38 6.73 -0.00 1.36 -1.08 -1.26 -4.93 116.67 115.11 1xz2 s ASP 47 Ca 0.42 0.73 0.23 0.00 -0.52 0.00 0.00 52.55 53.41 1xz2 s ASP 47 Cb -0.12 -2.45 0.65 0.00 -1.46 0.00 0.00 42.92 39.53 1xz2 s ASP 47 CO 0.24 -0.74 1.54 0.18 0.52 0.00 0.00 175.17 176.91 1xz2 n LEU 48 N 6.50 3.96 -4.74 -1.34 4.77 -1.26 -4.42 117.00 120.47 1xz2 n LEU 48 Ca 0.07 -2.00 -0.32 0.00 -0.03 0.00 0.00 56.01 53.73 1xz2 n LEU 48 Cb 0.48 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1xz2 n LEU 48 CO 0.54 0.99 0.71 -0.94 -1.33 0.00 0.00 177.39 177.36 1xz2 s SER 49 N -1.00 4.17 0.10 -1.43 1.04 -1.26 -4.87 113.70 110.45 1xz2 s SER 49 Ca 0.49 1.99 -0.34 0.00 0.48 0.00 0.00 55.95 58.58 1xz2 s SER 49 Cb 0.26 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.70 1xz2 s SER 49 CO 0.33 -2.26 1.69 1.57 0.98 0.00 0.00 173.24 175.55 1xz2 n HIS 50 N -3.46 2.35 -1.00 5.02 -0.00 -1.26 -1.71 115.22 115.17 1xz2 n HIS 50 Ca 0.10 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.43 1xz2 n HIS 50 Cb 0.52 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.79 1xz2 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xz2 n GLY 51 N 3.77 0.48 3.67 1.57 0.00 -1.26 -5.01 105.19 108.40 1xz2 n GLY 51 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1xz2 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xz2 n SER 52 N -0.08 1.42 -0.22 1.61 3.41 -0.69 -4.82 113.62 114.24 1xz2 n SER 52 Ca 0.00 0.84 -0.05 0.00 -0.26 0.00 0.00 58.87 59.40 1xz2 n SER 52 Cb 0.04 -1.46 0.11 0.00 -0.26 0.00 0.00 64.21 62.64 1xz2 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xz2 h ALA 53 N 0.65 1.09 -0.52 7.33 0.00 -1.91 -1.28 119.26 124.63 1xz2 h ALA 53 Ca -0.49 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 1xz2 h ALA 53 Cb 1.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1xz2 h ALA 53 CO 0.52 0.62 0.11 1.96 0.00 0.00 0.00 179.25 182.47 1xz2 h GLN 54 N 1.01 0.83 -0.41 0.00 4.20 -1.91 -0.37 115.11 118.46 1xz2 h GLN 54 Ca 0.22 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1xz2 h GLN 54 Cb 0.28 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1xz2 h GLN 54 CO -0.01 0.81 0.08 0.28 -0.67 0.00 0.00 178.83 179.32 1xz2 h VAL 55 N 0.72 1.24 -0.42 -0.54 2.07 -1.73 0.15 116.25 117.74 1xz2 h VAL 55 Ca 0.16 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1xz2 h VAL 55 Cb 0.36 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1xz2 h VAL 55 CO 0.00 0.29 0.27 0.11 0.02 0.00 0.00 177.57 178.26 1xz2 h LYS 56 N 0.53 0.53 -0.55 1.57 1.57 -1.11 -0.42 116.57 118.69 1xz2 h LYS 56 Ca 0.13 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1xz2 h LYS 56 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1xz2 h LYS 56 CO 0.00 0.35 -0.02 0.78 -0.57 0.00 0.00 179.45 180.00 1xz2 h GLY 57 N 0.54 1.07 1.05 3.86 0.00 -0.84 -2.43 103.07 106.33 1xz2 h GLY 57 Ca 0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 1xz2 h GLY 57 CO -0.05 0.73 -0.09 0.84 0.00 0.00 0.00 176.54 177.97 1xz2 h HIS 58 N 0.87 1.06 -0.84 5.60 -0.00 -0.82 -2.45 115.15 118.57 1xz2 h HIS 58 Ca 0.15 -0.22 0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1xz2 h HIS 58 Cb 0.56 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.67 1xz2 h HIS 58 CO 0.04 1.00 0.56 0.78 -0.00 0.00 0.00 177.93 180.31 1xz2 h GLY 59 N 0.81 1.19 1.00 5.26 0.00 -0.93 0.04 103.07 110.43 1xz2 h GLY 59 Ca 0.13 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1xz2 h GLY 59 CO 0.04 0.44 -0.04 1.70 0.00 0.00 0.00 176.54 178.68 1xz2 h LYS 60 N 1.14 0.82 -0.57 4.80 3.11 -1.26 -0.94 116.57 123.68 1xz2 h LYS 60 Ca 0.31 -0.29 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1xz2 h LYS 60 Cb -0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.02 1xz2 h LYS 60 CO -0.07 0.90 0.17 0.87 -2.81 0.00 0.00 179.45 178.52 1xz2 h LYS 61 N 0.66 0.88 -0.18 1.90 1.57 -0.84 -0.53 116.57 120.05 1xz2 h LYS 61 Ca 0.12 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xz2 h LYS 61 Cb 0.56 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1xz2 h LYS 61 CO 0.03 0.80 0.11 0.28 -0.57 0.00 0.00 179.45 180.10 1xz2 h VAL 62 N 0.79 1.07 -0.50 0.50 2.07 -0.95 -2.01 116.25 117.22 1xz2 h VAL 62 Ca 0.18 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1xz2 h VAL 62 Cb 0.29 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1xz2 h VAL 62 CO -0.00 0.07 0.33 0.00 0.02 0.00 0.00 177.57 177.98 1xz2 h ALA 63 N 1.03 0.63 -0.88 1.67 0.00 -0.92 -2.21 119.26 118.59 1xz2 h ALA 63 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xz2 h ALA 63 Cb 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1xz2 h ALA 63 CO -0.01 0.06 0.58 -0.44 0.00 0.00 0.00 179.25 179.44 1xz2 h ASP 64 N 0.66 0.99 -0.73 0.00 3.32 -1.01 -0.33 116.42 119.32 1xz2 h ASP 64 Ca 0.19 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1xz2 h ASP 64 Cb -0.06 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1xz2 h ASP 64 CO -0.05 0.70 0.40 0.00 -1.72 0.00 0.00 179.24 178.57 1xz2 h ALA 65 N 1.47 0.94 -0.19 3.45 0.00 -0.85 -1.25 119.26 122.83 1xz2 h ALA 65 Ca 0.33 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1xz2 h ALA 65 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1xz2 h ALA 65 CO -0.08 0.45 -0.40 -0.07 0.00 0.00 0.00 179.25 179.15 1xz2 h LEU 66 N 1.01 0.45 -0.57 0.00 3.38 -0.79 -1.49 115.31 117.30 1xz2 h LEU 66 Ca 0.26 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1xz2 h LEU 66 Cb 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1xz2 h LEU 66 CO -0.04 0.81 0.19 0.74 0.09 0.00 0.00 178.44 180.22 1xz2 h THR 67 N 0.36 1.24 -0.80 0.22 2.02 -0.64 -0.65 112.91 114.65 1xz2 h THR 67 Ca 0.03 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1xz2 h THR 67 Cb 0.86 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1xz2 h THR 67 CO 0.07 0.30 0.45 -1.13 0.37 0.00 0.00 175.52 175.58 1xz2 h ASN 68 N 0.80 0.99 -0.47 4.18 -1.24 -1.06 -1.71 115.58 117.07 1xz2 h ASN 68 Ca 0.19 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1xz2 h ASN 68 Cb 0.27 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 1xz2 h ASN 68 CO -0.01 0.80 0.13 0.00 -1.29 0.00 0.00 177.43 177.06 1xz2 h ALA 69 N 1.24 0.62 -0.59 1.57 0.00 -0.82 -1.00 119.26 120.28 1xz2 h ALA 69 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xz2 h ALA 69 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xz2 h ALA 69 CO -0.05 0.29 0.38 0.28 0.00 0.00 0.00 179.25 180.15 1xz2 h VAL 70 N 0.63 1.16 0.00 0.00 2.07 -0.90 -1.37 116.25 117.84 1xz2 h VAL 70 Ca 0.15 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1xz2 h VAL 70 Cb 0.30 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1xz2 h VAL 70 CO -0.00 0.16 -0.20 0.00 0.02 0.00 0.00 177.57 177.55 1xz2 h ALA 71 N 1.20 1.43 -0.84 1.67 0.00 -0.98 -3.00 119.26 118.75 1xz2 h ALA 71 Ca 0.22 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 54.36 1xz2 h ALA 71 Cb -0.06 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 17.30 1xz2 h ALA 71 CO -0.04 0.25 -0.39 0.72 0.00 0.00 0.00 179.25 179.79 1xz2 n HIS 72 N -3.96 2.89 0.21 0.00 8.25 -0.41 -4.83 115.22 117.37 1xz2 n HIS 72 Ca -0.02 -2.45 0.12 0.00 -0.26 0.00 0.00 57.72 55.11 1xz2 n HIS 72 Cb 0.28 -0.61 0.69 0.00 1.12 0.00 0.00 29.99 31.47 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 1.91 0.87 -0.01 1.59 3.04 -1.13 0.76 116.25 123.27 1xz2 h VAL 73 Ca 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.12 1xz2 h VAL 73 Cb 1.32 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1xz2 h VAL 73 CO 0.97 0.00 -0.17 0.47 -1.01 0.00 0.00 177.57 177.84 1xz2 n ASP 74 N -4.39 1.35 -2.92 3.17 8.00 -1.26 -4.24 116.55 116.26 1xz2 n ASP 74 Ca -0.00 -1.20 -0.13 0.00 0.71 0.00 0.00 54.79 54.17 1xz2 n ASP 74 Cb 0.21 0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.22 0.79 0.02 -2.24 2.03 0.22 -4.98 116.55 112.17 1xz2 n ASP 75 Ca 0.14 -2.90 -0.18 0.00 0.52 0.00 0.00 54.79 52.37 1xz2 n ASP 75 Cb 0.37 -0.37 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 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 2.95 0.37 -0.95 -0.67 2.86 -1.63 -2.82 114.93 115.04 1xz2 h MET 76 Ca -0.01 -0.46 0.15 0.00 -2.06 0.00 0.00 59.70 57.32 1xz2 h MET 76 Cb 1.08 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.80 1xz2 h MET 76 CO 0.45 1.15 0.60 -1.35 1.06 0.00 0.00 176.91 178.83 1xz2 h PRO 77 N -0.21 0.75 -0.03 -0.22 0.11 -1.93 0.16 132.00 130.63 1xz2 h PRO 77 Ca -0.10 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.85 1xz2 h PRO 77 Cb 1.42 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1xz2 h PRO 77 CO 0.13 0.49 -0.46 -0.97 -0.21 0.00 0.00 178.00 176.98 1xz2 h ASN 78 N 0.77 0.45 -0.16 -2.05 -1.24 -1.97 -2.87 115.58 108.51 1xz2 h ASN 78 Ca 0.50 -0.72 -0.03 0.00 0.71 0.00 0.00 56.30 56.75 1xz2 h ASN 78 Cb 0.74 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 1xz2 h ASN 78 CO -0.26 1.11 0.01 0.00 -1.29 0.00 0.00 177.43 177.01 1xz2 h ALA 79 N 0.35 1.54 -0.56 1.57 0.00 -1.18 -2.70 119.26 118.27 1xz2 h ALA 79 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xz2 h ALA 79 Cb 1.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xz2 h ALA 79 CO 0.09 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1xz2 n LEU 80 N -4.34 5.15 -0.13 0.00 4.77 0.01 -4.68 117.00 117.77 1xz2 n LEU 80 Ca 0.01 -2.76 -0.04 0.00 -0.03 0.00 0.00 56.01 53.18 1xz2 n LEU 80 Cb 0.20 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1xz2 n LEU 80 CO 0.37 0.70 0.77 -1.28 -1.33 0.00 0.00 177.39 176.63 1xz2 h SER 81 N 3.73 -0.43 -0.82 -1.43 0.87 -1.24 0.44 113.55 114.66 1xz2 h SER 81 Ca 0.00 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1xz2 h SER 81 Cb 1.72 0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 63.92 1xz2 h SER 81 CO 0.36 -0.15 0.41 0.00 -0.53 0.00 0.00 176.83 176.92 1xz2 h ALA 82 N 1.40 1.16 -0.09 6.23 0.00 -1.84 -1.42 119.26 124.70 1xz2 h ALA 82 Ca 0.21 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1xz2 h ALA 82 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xz2 h ALA 82 CO -0.45 0.65 -0.70 -0.07 0.00 0.00 0.00 179.25 178.68 1xz2 h LEU 83 N 1.17 0.48 -0.41 0.00 3.38 -1.66 -1.21 115.31 117.07 1xz2 h LEU 83 Ca 0.29 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1xz2 h LEU 83 Cb 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xz2 h LEU 83 CO -0.04 1.04 0.14 0.28 0.09 0.00 0.00 178.44 179.95 1xz2 h SER 84 N 0.29 0.59 0.12 -0.43 0.02 -0.63 -1.42 113.55 112.08 1xz2 h SER 84 Ca -0.02 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1xz2 h SER 84 Cb 1.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1xz2 h SER 84 CO 0.12 0.62 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.59 1xz2 h ASP 85 N 0.52 -0.14 -0.58 3.07 3.58 -1.15 -1.54 116.42 120.17 1xz2 h ASP 85 Ca 0.13 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.62 1xz2 h ASP 85 Cb 0.24 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1xz2 h ASP 85 CO -0.01 -0.08 0.32 0.25 -2.88 0.00 0.00 179.24 176.85 1xz2 h LEU 86 N -0.18 0.49 -0.35 2.28 5.85 -1.13 -0.76 115.31 121.51 1xz2 h LEU 86 Ca -0.02 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 1xz2 h LEU 86 Cb 0.14 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1xz2 h LEU 86 CO 0.03 0.33 -0.60 0.45 -0.34 0.00 0.00 178.44 178.31 1xz2 h HIS 87 N 0.62 0.95 -0.26 1.25 3.86 -1.19 -1.08 115.15 119.31 1xz2 h HIS 87 Ca 0.25 -0.36 -0.18 0.00 -1.16 0.00 0.00 60.37 58.93 1xz2 h HIS 87 Cb 0.12 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1xz2 h HIS 87 CO -0.08 1.16 -0.55 0.00 0.86 0.00 0.00 177.93 179.32 1xz2 h ALA 88 N 0.76 0.55 0.00 2.45 0.00 -1.02 0.25 119.26 122.25 1xz2 h ALA 88 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xz2 h ALA 88 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xz2 h ALA 88 CO 0.12 0.68 -0.88 0.72 0.00 0.00 0.00 179.25 179.90 1xz2 n HIS 89 N -3.99 0.00 0.05 0.00 8.25 -0.32 -4.59 115.22 114.62 1xz2 n HIS 89 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1xz2 n HIS 89 Cb 0.62 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.49 0.00 -0.05 -0.41 4.81 -0.56 -4.87 118.16 115.59 1xz2 n LYS 90 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.31 1xz2 n LYS 90 Cb 0.20 -0.49 -0.08 0.00 0.02 0.00 0.00 35.03 34.68 1xz2 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xz2 h LEU 91 N 0.00 0.39 -2.10 3.14 3.38 -1.35 -3.48 115.31 115.30 1xz2 h LEU 91 Ca 0.00 -0.55 -0.42 0.00 0.09 0.00 0.00 57.88 57.01 1xz2 h LEU 91 Cb 0.11 -0.11 0.06 0.00 0.09 0.00 0.00 40.66 40.81 1xz2 h LEU 91 CO 0.00 0.86 -0.86 0.54 0.09 0.00 0.00 178.44 179.08 1xz2 n ARG 92 N -4.50 -3.88 -2.54 1.13 3.00 0.89 -4.94 116.66 105.82 1xz2 n ARG 92 Ca -0.07 0.59 -0.42 0.00 -0.01 0.00 0.00 57.85 57.94 1xz2 n ARG 92 Cb 0.42 -4.98 -0.03 0.00 0.00 0.00 0.00 32.46 27.87 1xz2 n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1xz2 s VAL 93 N -3.64 4.39 0.25 1.55 1.01 -1.26 -4.97 120.40 117.73 1xz2 s VAL 93 Ca 0.12 1.71 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 1xz2 s VAL 93 Cb -0.03 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 1xz2 s VAL 93 CO 0.82 0.10 1.51 -0.67 0.00 0.00 0.00 175.10 176.86 1xz2 n ASP 94 N 4.25 3.25 -0.34 3.32 2.03 -1.26 -4.85 116.55 122.96 1xz2 n ASP 94 Ca 0.08 1.13 0.35 0.00 0.52 0.00 0.00 54.79 56.88 1xz2 n ASP 94 Cb 0.48 -1.50 0.74 0.00 -0.72 0.00 0.00 41.12 40.12 1xz2 n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1xz2 h PRO 95 N 4.71 0.03 0.00 -0.67 0.11 -2.00 -2.18 132.00 132.00 1xz2 h PRO 95 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xz2 h PRO 95 Cb 1.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xz2 h PRO 95 CO 0.79 0.02 -0.02 -0.39 -0.21 0.00 0.00 178.00 178.19 1xz2 h VAL 96 N 0.03 0.70 0.00 3.15 -1.51 -2.04 -2.61 116.25 113.98 1xz2 h VAL 96 Ca 0.58 -0.08 -0.07 0.00 -1.23 0.00 0.00 66.70 65.90 1xz2 h VAL 96 Cb 2.27 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 1xz2 h VAL 96 CO -0.03 0.02 -0.36 0.78 -1.23 0.00 0.00 177.57 176.75 1xz2 h ASN 97 N 0.00 0.00 -0.36 4.19 2.35 -1.75 -2.95 115.58 117.06 1xz2 h ASN 97 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1xz2 h ASN 97 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1xz2 h ASN 97 CO 0.00 0.36 0.17 -0.26 -1.65 0.00 0.00 177.43 176.05 1xz2 h PHE 98 N 0.00 0.56 0.00 1.19 0.04 -1.65 -1.76 116.94 115.31 1xz2 h PHE 98 Ca -0.00 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1xz2 h PHE 98 Cb 0.86 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1xz2 h PHE 98 CO 0.00 0.43 -0.29 1.57 -0.60 0.00 0.00 178.31 179.42 1xz2 h LYS 99 N 0.57 0.00 -0.11 1.51 2.10 -1.68 -1.05 116.57 117.91 1xz2 h LYS 99 Ca 0.14 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.69 1xz2 h LYS 99 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1xz2 h LYS 99 CO -0.02 0.29 -0.33 -0.07 -2.00 0.00 0.00 179.45 177.33 1xz2 h LEU 100 N 0.00 0.48 -0.61 7.07 3.38 -1.42 -1.72 115.31 122.48 1xz2 h LEU 100 Ca -0.00 -0.60 -0.09 0.00 0.09 0.00 0.00 57.88 57.28 1xz2 h LEU 100 Cb 0.91 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1xz2 h LEU 100 CO 0.04 1.00 0.05 0.25 0.09 0.00 0.00 178.44 179.86 1xz2 h LEU 101 N -0.02 1.01 -0.97 1.67 5.85 -1.34 -2.21 115.31 119.31 1xz2 h LEU 101 Ca -0.01 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1xz2 h LEU 101 Cb 0.95 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1xz2 h LEU 101 CO 0.07 1.05 0.54 0.28 -0.34 0.00 0.00 178.44 180.03 1xz2 h SER 102 N 0.94 1.11 -0.42 1.25 0.02 -1.13 0.08 113.55 115.41 1xz2 h SER 102 Ca 0.18 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1xz2 h SER 102 Cb 0.50 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1xz2 h SER 102 CO 0.02 0.86 0.14 -0.74 -1.14 0.00 0.00 176.83 175.98 1xz2 h HIS 103 N 1.27 0.67 -0.04 3.45 -0.00 -1.14 -1.50 115.15 117.85 1xz2 h HIS 103 Ca 0.33 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.54 1xz2 h HIS 103 Cb -0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 1xz2 h HIS 103 CO 0.01 0.60 -0.40 0.00 -0.00 0.00 0.00 177.93 178.14 1xz2 h LEU 105 N 0.08 0.92 -0.46 0.00 3.38 -0.69 -1.66 115.31 116.88 1xz2 h LEU 105 Ca 0.01 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1xz2 h LEU 105 Cb 0.75 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1xz2 h LEU 105 CO 0.06 1.06 0.13 -0.07 0.09 0.00 0.00 178.44 179.71 1xz2 h LEU 106 N 0.80 0.67 -0.60 1.67 3.38 -0.62 -1.10 115.31 119.52 1xz2 h LEU 106 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xz2 h LEU 106 Cb 0.70 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1xz2 h LEU 106 CO 0.05 0.71 0.36 0.58 0.09 0.00 0.00 178.44 180.24 1xz2 h VAL 107 N 0.60 1.18 -0.16 1.22 2.07 -1.15 0.53 116.25 120.54 1xz2 h VAL 107 Ca 0.15 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xz2 h VAL 107 Cb 0.29 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xz2 h VAL 107 CO -0.00 0.18 0.10 0.74 0.02 0.00 0.00 177.57 178.61 1xz2 h THR 108 N 0.81 1.05 -0.42 2.57 2.02 -1.06 -0.81 112.91 117.07 1xz2 h THR 108 Ca 0.22 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1xz2 h THR 108 Cb -0.02 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1xz2 h THR 108 CO -0.04 0.05 0.23 -0.07 0.37 0.00 0.00 175.52 176.05 1xz2 h LEU 109 N 0.21 0.54 -0.72 2.58 3.38 -0.88 -2.00 115.31 118.42 1xz2 h LEU 109 Ca 0.06 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1xz2 h LEU 109 Cb -0.01 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1xz2 h LEU 109 CO -0.01 0.48 0.33 0.00 0.09 0.00 0.00 178.44 179.33 1xz2 h ALA 110 N 1.08 1.00 0.00 1.53 0.00 -0.61 -0.06 119.26 122.19 1xz2 h ALA 110 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xz2 h ALA 110 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xz2 h ALA 110 CO -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1xz2 h ALA 111 N 1.47 1.00 0.00 0.00 0.00 -0.44 -3.26 119.26 118.03 1xz2 h ALA 111 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xz2 h ALA 111 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xz2 h ALA 111 CO -0.32 0.00 -0.85 0.72 0.00 0.00 0.00 179.25 178.80 1xz2 n HIS 112 N -3.08 0.00 -3.38 0.00 -0.00 -0.54 -4.82 115.22 103.41 1xz2 n HIS 112 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 1xz2 n HIS 112 Cb 0.22 -0.09 -0.08 0.00 -0.00 0.00 0.00 29.99 30.05 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 -1.47 3.26 -0.15 2.41 4.77 -0.15 -4.95 117.00 120.72 1xz2 n LEU 113 Ca 0.00 -5.34 -0.04 0.00 -0.03 0.00 0.00 56.01 50.60 1xz2 n LEU 113 Cb 0.17 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1xz2 n LEU 113 CO 0.18 2.07 0.98 -0.65 -1.33 0.00 0.00 177.39 178.63 1xz2 h PRO 114 N 4.12 0.37 -0.13 3.23 0.11 -1.85 -1.65 132.00 136.20 1xz2 h PRO 114 Ca 0.18 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.04 1xz2 h PRO 114 Cb 0.69 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.72 1xz2 h PRO 114 CO 0.78 0.25 -0.80 0.00 -0.21 0.00 0.00 178.00 178.02 1xz2 h ALA 115 N 1.29 0.33 0.00 -0.75 0.00 -1.96 -3.34 119.26 114.83 1xz2 h ALA 115 Ca 0.22 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1xz2 h ALA 115 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xz2 h ALA 115 CO -0.19 0.70 -0.56 0.93 0.00 0.00 0.00 179.25 180.12 1xz2 h GLU 116 N 0.50 0.00 -3.07 0.00 3.07 -1.95 -3.40 114.58 109.73 1xz2 h GLU 116 Ca -0.06 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.10 1xz2 h GLU 116 Cb 1.43 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.30 1xz2 h GLU 116 CO 0.16 0.18 3.24 0.34 -1.40 0.00 0.00 179.01 181.54 1xz2 n PHE 117 N -3.01 2.65 -1.68 4.33 7.35 -0.63 -4.75 117.46 121.72 1xz2 n PHE 117 Ca 0.01 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.41 1xz2 n PHE 117 Cb 0.64 -2.29 0.09 0.00 0.35 0.00 0.00 39.48 38.27 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 1.27 2.83 0.30 -2.13 -4.23 -1.26 -4.76 115.64 107.66 1xz2 s THR 118 Ca 0.60 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1xz2 s THR 118 Cb 0.17 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 71.19 1xz2 s THR 118 CO -0.07 -0.35 1.85 -0.65 -0.54 0.00 0.00 174.62 174.86 1xz2 h PRO 119 N -1.05 0.92 -0.51 3.99 0.11 -1.99 0.10 132.00 133.57 1xz2 h PRO 119 Ca -0.47 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1xz2 h PRO 119 Cb 1.28 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1xz2 h PRO 119 CO 0.62 0.61 -0.12 0.00 -0.21 0.00 0.00 178.00 178.89 1xz2 h ALA 120 N 1.55 0.70 -0.31 -0.75 0.00 -1.96 -2.17 119.26 116.32 1xz2 h ALA 120 Ca 0.48 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1xz2 h ALA 120 Cb 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xz2 h ALA 120 CO -0.24 0.63 -0.50 0.28 0.00 0.00 0.00 179.25 179.41 1xz2 h VAL 121 N 0.85 1.27 -0.39 0.00 2.07 -1.71 -2.30 116.25 116.04 1xz2 h VAL 121 Ca 0.13 -1.69 0.07 0.00 0.82 0.00 0.00 66.70 66.03 1xz2 h VAL 121 Cb 0.69 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1xz2 h VAL 121 CO 0.05 0.55 0.00 -0.74 0.02 0.00 0.00 177.57 177.46 1xz2 h HIS 122 N 0.69 -0.02 -0.29 1.57 6.17 -0.74 -0.14 115.15 122.38 1xz2 h HIS 122 Ca 0.03 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1xz2 h HIS 122 Cb 1.11 0.07 -0.01 0.00 2.52 0.00 0.00 27.41 31.09 1xz2 h HIS 122 CO 0.07 -0.07 0.19 0.00 0.71 0.00 0.00 177.93 178.82 1xz2 h ALA 123 N 1.34 0.38 -0.75 5.26 0.00 -1.27 -1.33 119.26 122.89 1xz2 h ALA 123 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xz2 h ALA 123 Cb 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1xz2 h ALA 123 CO -0.32 -0.14 0.43 0.77 0.00 0.00 0.00 179.25 180.00 1xz2 h SER 124 N 0.39 0.92 -0.62 0.00 0.02 -1.06 -0.95 113.55 112.25 1xz2 h SER 124 Ca 0.11 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1xz2 h SER 124 Cb -0.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1xz2 h SER 124 CO -0.02 0.73 0.02 -0.07 -1.14 0.00 0.00 176.83 176.34 1xz2 h LEU 125 N 1.03 1.05 -0.50 5.07 3.38 -0.85 0.51 115.31 125.00 1xz2 h LEU 125 Ca 0.27 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1xz2 h LEU 125 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1xz2 h LEU 125 CO -0.05 1.09 0.19 -0.78 0.09 0.00 0.00 178.44 178.98 1xz2 h ASP 126 N 0.99 0.70 -0.77 -0.43 3.58 -0.93 0.03 116.42 119.59 1xz2 h ASP 126 Ca 0.18 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 1xz2 h ASP 126 Cb 0.54 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1xz2 h ASP 126 CO 0.03 0.69 0.28 0.11 -2.88 0.00 0.00 179.24 177.47 1xz2 h LYS 127 N 0.67 1.18 -0.10 0.28 1.57 -1.00 -1.83 116.57 117.34 1xz2 h LYS 127 Ca 0.16 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1xz2 h LYS 127 Cb 0.22 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1xz2 h LYS 127 CO -0.01 0.98 0.03 0.35 -0.57 0.00 0.00 179.45 180.23 1xz2 h PHE 128 N 1.14 0.16 -0.49 -1.35 3.57 -0.47 -1.18 116.94 118.32 1xz2 h PHE 128 Ca 0.25 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1xz2 h PHE 128 Cb 0.26 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1xz2 h PHE 128 CO 0.02 0.29 0.22 -0.07 -2.23 0.00 0.00 178.31 176.54 1xz2 h LEU 129 N -0.01 0.62 -0.52 0.59 3.38 -0.91 -1.01 115.31 117.45 1xz2 h LEU 129 Ca 0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1xz2 h LEU 129 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xz2 h LEU 129 CO -0.00 0.55 0.15 0.00 0.09 0.00 0.00 178.44 179.22 1xz2 h ALA 130 N 1.55 0.68 -0.40 1.53 0.00 -1.14 -0.86 119.26 120.62 1xz2 h ALA 130 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xz2 h ALA 130 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xz2 h ALA 130 CO -0.02 0.35 0.24 0.77 0.00 0.00 0.00 179.25 180.59 1xz2 h SER 131 N 0.71 0.49 -0.46 0.00 0.02 -0.79 0.11 113.55 113.63 1xz2 h SER 131 Ca 0.17 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1xz2 h SER 131 Cb 0.30 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1xz2 h SER 131 CO -0.00 0.41 0.29 0.58 -1.14 0.00 0.00 176.83 176.97 1xz2 h VAL 132 N 0.53 1.08 -0.67 2.27 2.07 -1.12 -1.75 116.25 118.67 1xz2 h VAL 132 Ca 0.14 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xz2 h VAL 132 Cb 0.02 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1xz2 h VAL 132 CO -0.03 0.11 0.38 0.28 0.02 0.00 0.00 177.57 178.33 1xz2 h SER 133 N 0.59 0.80 -0.46 0.57 0.02 -0.90 -1.25 113.55 112.93 1xz2 h SER 133 Ca 0.18 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1xz2 h SER 133 Cb -0.03 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1xz2 h SER 133 CO -0.06 0.63 0.10 0.74 -1.14 0.00 0.00 176.83 177.10 1xz2 h THR 134 N 0.92 1.24 -0.52 -2.27 2.02 -0.50 -2.10 112.91 111.70 1xz2 h THR 134 Ca 0.24 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1xz2 h THR 134 Cb -0.01 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1xz2 h THR 134 CO -0.04 0.30 0.19 0.58 0.37 0.00 0.00 175.52 176.92 1xz2 h VAL 135 N 0.62 1.22 0.00 3.16 2.07 -0.96 -1.60 116.25 120.77 1xz2 h VAL 135 Ca 0.14 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1xz2 h VAL 135 Cb 0.35 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1xz2 h VAL 135 CO 0.00 0.27 -0.11 -0.07 0.02 0.00 0.00 177.57 177.68 1xz2 h LEU 136 N 0.71 0.00 -2.39 2.57 3.38 -1.03 -2.54 115.31 116.00 1xz2 h LEU 136 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xz2 h LEU 136 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xz2 h LEU 136 CO -0.01 0.11 0.00 0.35 0.09 0.00 0.00 178.44 178.98 1xz2 n THR 137 N -3.39 0.62 0.29 0.22 -2.24 -0.81 -4.54 114.28 104.43 1xz2 n THR 137 Ca -0.01 -0.81 0.19 0.00 -2.27 0.00 0.00 64.05 61.15 1xz2 n THR 137 Cb 0.29 0.83 0.82 0.00 -2.10 0.00 0.00 70.33 70.17 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 3.30 0.00 -0.44 3.42 4.64 -0.84 -2.75 113.55 120.88 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 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 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 -3.08 3.20 0.07 4.77 5.02 -1.26 -4.65 118.16 122.22 1xz2 n LYS 139 Ca -0.00 -2.59 -0.00 0.00 -2.02 0.00 0.00 58.31 53.70 1xz2 n LYS 139 Cb 0.25 -1.66 0.30 0.00 -0.02 0.00 0.00 35.03 33.89 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 2.73 0.37 0.00 2.13 0.99 -1.81 -3.46 116.97 117.91 1xz2 h TYR 140 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1xz2 h TYR 140 Cb 1.20 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.83 1xz2 h TYR 140 CO 0.50 0.52 0.00 2.89 -0.00 0.00 0.00 178.16 182.07