#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xy0 n HIS 2 N 0.00 2.93 -3.64 3.52 -0.00 -1.26 -5.07 115.22 111.71 1xy0 n HIS 2 Ca 0.00 -4.16 -0.38 0.00 -0.00 0.00 0.00 57.72 53.18 1xy0 n HIS 2 Cb 0.00 -0.53 -0.11 0.00 -0.00 0.00 0.00 29.99 29.35 1xy0 n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1xy0 s LEU 3 N -1.68 4.00 0.82 0.27 2.96 -1.26 -5.07 118.68 118.72 1xy0 s LEU 3 Ca 0.31 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.83 1xy0 s LEU 3 Cb 0.04 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.77 1xy0 s LEU 3 CO -0.12 -0.12 1.14 0.42 -1.32 0.00 0.00 176.35 176.35 1xy0 s THR 4 N 1.68 2.58 0.24 3.68 -4.23 -1.26 -4.69 115.64 113.63 1xy0 s THR 4 Ca 0.06 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.73 1xy0 s THR 4 Cb -0.16 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.37 1xy0 s THR 4 CO 0.08 -0.23 1.81 1.55 -0.54 0.00 0.00 174.62 177.29 1xy0 h PRO 5 N -1.23 0.75 0.00 3.99 0.13 -1.99 0.18 132.00 133.82 1xy0 h PRO 5 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xy0 h PRO 5 Cb 1.26 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xy0 h PRO 5 CO 0.47 0.49 0.00 1.05 -0.23 0.00 0.00 178.00 179.78 1xy0 h GLU 6 N 0.77 0.00 0.16 0.86 4.11 -2.00 -0.99 114.58 117.49 1xy0 h GLU 6 Ca 0.38 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.47 1xy0 h GLU 6 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xy0 h GLU 6 CO -0.24 0.00 -1.74 0.93 0.07 0.00 0.00 179.01 178.03 1xy0 h GLU 7 N 0.00 0.33 0.00 1.06 5.08 -1.05 -3.13 114.58 116.87 1xy0 h GLU 7 Ca 0.00 -0.56 -0.07 0.00 -1.00 0.00 0.00 59.36 57.72 1xy0 h GLU 7 Cb 0.31 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1xy0 h GLU 7 CO 0.00 1.23 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.67 1xy0 h LYS 8 N 0.09 0.00 0.19 2.33 3.64 -0.25 -0.75 116.57 121.82 1xy0 h LYS 8 Ca -0.33 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.74 1xy0 h LYS 8 Cb 2.07 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.92 1xy0 h LYS 8 CO 0.16 0.35 -1.31 0.66 -2.27 0.00 0.00 179.45 177.04 1xy0 h SER 9 N 0.00 0.82 0.23 4.20 4.64 -1.33 -2.69 113.55 119.43 1xy0 h SER 9 Ca -0.00 -0.89 -0.11 0.00 -0.47 0.00 0.00 61.79 60.32 1xy0 h SER 9 Cb 0.72 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1xy0 h SER 9 CO 0.05 1.64 -0.41 0.00 -0.87 0.00 0.00 176.83 177.23 1xy0 h ALA 10 N 0.19 1.11 -0.06 5.18 0.00 -1.46 0.49 119.26 124.72 1xy0 h ALA 10 Ca -0.22 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1xy0 h ALA 10 Cb 2.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1xy0 h ALA 10 CO 0.25 0.59 0.00 0.28 0.00 0.00 0.00 179.25 180.37 1xy0 h VAL 11 N 0.20 1.23 -0.65 0.00 2.07 -1.15 -2.95 116.25 114.99 1xy0 h VAL 11 Ca 0.02 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1xy0 h VAL 11 Cb 0.81 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1xy0 h VAL 11 CO 0.06 0.20 0.22 0.74 0.02 0.00 0.00 177.57 178.81 1xy0 h THR 12 N -0.17 1.25 0.51 2.57 2.02 -1.20 -0.92 112.91 116.97 1xy0 h THR 12 Ca 0.02 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1xy0 h THR 12 Cb 0.31 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1xy0 h THR 12 CO 0.00 0.32 -0.28 0.00 0.37 0.00 0.00 175.52 175.93 1xy0 h ALA 13 N 1.09 -0.73 -0.28 6.16 0.00 -0.02 -2.77 119.26 122.70 1xy0 h ALA 13 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xy0 h ALA 13 Cb 0.27 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xy0 h ALA 13 CO -0.01 -0.92 0.14 1.25 0.00 0.00 0.00 179.25 179.71 1xy0 h LEU 14 N -0.73 0.20 -2.14 0.00 5.85 -1.49 -1.79 115.31 115.21 1xy0 h LEU 14 Ca -0.06 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1xy0 h LEU 14 Cb 0.58 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1xy0 h LEU 14 CO 0.09 0.15 0.30 -0.25 -0.34 0.00 0.00 178.44 178.40 1xy0 h TRP 15 N 0.29 0.00 0.00 1.25 2.91 -1.03 0.33 115.95 119.70 1xy0 h TRP 15 Ca 0.12 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 1xy0 h TRP 15 Cb 0.04 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 1xy0 h TRP 15 CO -0.10 0.00 -0.24 0.78 -1.03 0.00 0.00 178.44 177.85 1xy0 h GLY 16 N 0.00 0.00 1.27 2.65 0.00 -1.04 -2.90 103.07 103.06 1xy0 h GLY 16 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xy0 h GLY 16 CO -0.00 0.00 -0.40 0.28 0.00 0.00 0.00 176.54 176.42 1xy0 n LYS 17 N -4.03 0.05 -2.84 4.80 5.02 0.11 -4.92 118.16 116.35 1xy0 n LYS 17 Ca -0.02 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1xy0 n LYS 17 Cb 0.31 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1xy0 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xy0 s VAL 18 N -3.03 4.19 -0.78 -0.18 1.01 -1.10 -5.01 120.40 115.52 1xy0 s VAL 18 Ca 0.11 1.93 -0.17 0.00 0.00 0.00 0.00 61.98 63.86 1xy0 s VAL 18 Cb 0.17 -4.25 0.16 0.00 0.00 0.00 0.00 36.38 32.46 1xy0 s VAL 18 CO 0.66 0.51 0.83 0.21 0.00 0.00 0.00 175.10 177.31 1xy0 s ASN 19 N -1.15 6.54 0.55 3.32 3.84 -1.26 -4.93 114.94 121.84 1xy0 s ASN 19 Ca 0.39 -2.12 0.25 0.00 0.21 0.00 0.00 52.86 51.58 1xy0 s ASN 19 Cb -0.25 -2.29 1.45 0.00 -0.55 0.00 0.00 41.25 39.61 1xy0 s ASN 19 CO 0.30 -0.87 2.05 -0.37 -2.79 0.00 0.00 177.10 175.41 1xy0 h VAL 20 N 5.44 0.69 0.29 -5.21 -1.51 -1.95 -0.65 116.25 113.36 1xy0 h VAL 20 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 1xy0 h VAL 20 Cb 1.05 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1xy0 h VAL 20 CO 0.96 0.00 -0.14 0.44 -1.23 0.00 0.00 177.57 177.60 1xy0 h ASP 21 N 0.00 -0.33 0.11 4.19 3.32 -1.91 -2.09 116.42 119.71 1xy0 h ASP 21 Ca 0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1xy0 h ASP 21 Cb 0.70 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1xy0 h ASP 21 CO -0.00 -0.15 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.24 1xy0 h GLU 22 N -0.49 -0.15 -0.97 3.56 4.81 -1.72 -3.08 114.58 116.55 1xy0 h GLU 22 Ca -0.04 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1xy0 h GLU 22 Cb 0.37 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 1xy0 h GLU 22 CO 0.06 0.26 0.63 0.28 -0.73 0.00 0.00 179.01 179.51 1xy0 h VAL 23 N -0.60 1.08 -0.15 0.32 2.07 -1.23 -2.19 116.25 115.55 1xy0 h VAL 23 Ca -0.02 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1xy0 h VAL 23 Cb 0.47 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1xy0 h VAL 23 CO 0.03 0.20 -0.06 1.23 0.02 0.00 0.00 177.57 178.99 1xy0 h GLY 24 N 1.12 0.09 1.18 2.17 0.00 -1.44 0.19 103.07 106.37 1xy0 h GLY 24 Ca 0.42 0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.70 1xy0 h GLY 24 CO -0.16 -0.08 -0.14 -1.33 0.00 0.00 0.00 176.54 174.83 1xy0 h GLY 25 N -0.03 1.03 0.77 4.60 0.00 -1.38 -2.20 103.07 105.87 1xy0 h GLY 25 Ca 0.08 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 1xy0 h GLY 25 CO -0.18 0.77 -0.03 0.83 0.00 0.00 0.00 176.54 177.94 1xy0 h GLU 26 N 0.84 0.29 -0.32 4.80 4.39 -1.19 -0.98 114.58 122.42 1xy0 h GLU 26 Ca 0.13 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1xy0 h GLU 26 Cb 0.69 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1xy0 h GLU 26 CO 0.05 0.56 -0.06 0.00 -1.16 0.00 0.00 179.01 178.40 1xy0 h ALA 27 N 0.73 0.44 -0.48 3.43 0.00 -0.58 -0.94 119.26 121.86 1xy0 h ALA 27 Ca 0.04 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1xy0 h ALA 27 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xy0 h ALA 27 CO 0.01 0.25 -0.20 1.25 0.00 0.00 0.00 179.25 180.57 1xy0 h LEU 28 N 0.39 1.00 -0.19 0.00 5.85 -1.44 -2.03 115.31 118.90 1xy0 h LEU 28 Ca 0.08 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1xy0 h LEU 28 Cb 0.54 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xy0 h LEU 28 CO 0.03 1.16 -0.03 1.23 -0.34 0.00 0.00 178.44 180.49 1xy0 h GLY 29 N 0.89 0.38 1.33 3.75 0.00 -1.13 -2.73 103.07 105.57 1xy0 h GLY 29 Ca 0.11 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.17 1xy0 h GLY 29 CO 0.06 0.28 0.37 3.21 0.00 0.00 0.00 176.54 180.46 1xy0 h ARG 30 N 0.08 0.61 -0.28 4.80 3.08 -1.14 -1.91 114.38 119.62 1xy0 h ARG 30 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1xy0 h ARG 30 Cb 0.46 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1xy0 h ARG 30 CO 0.02 0.40 0.12 1.25 -1.07 0.00 0.00 179.97 180.69 1xy0 h LEU 31 N 0.63 0.38 -1.46 3.04 5.85 -1.16 0.15 115.31 122.75 1xy0 h LEU 31 Ca 0.23 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1xy0 h LEU 31 Cb 0.12 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1xy0 h LEU 31 CO -0.06 0.43 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.31 1xy0 h LEU 32 N 0.31 0.00 0.01 2.25 3.38 -1.07 -1.08 115.31 119.12 1xy0 h LEU 32 Ca 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.85 1xy0 h LEU 32 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1xy0 h LEU 32 CO -0.01 0.09 -1.17 0.58 0.09 0.00 0.00 178.44 178.02 1xy0 h VAL 33 N 0.00 1.00 -0.14 1.22 2.07 -1.08 -3.30 116.25 116.02 1xy0 h VAL 33 Ca -0.00 -2.21 -0.20 0.00 0.82 0.00 0.00 66.70 65.10 1xy0 h VAL 33 Cb 0.55 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1xy0 h VAL 33 CO 0.01 0.38 -0.73 0.58 0.02 0.00 0.00 177.57 177.83 1xy0 h VAL 34 N -0.93 1.31 -2.51 2.57 2.07 -0.69 -3.37 116.25 114.70 1xy0 h VAL 34 Ca -0.32 -2.00 -0.60 0.00 0.82 0.00 0.00 66.70 64.60 1xy0 h VAL 34 Cb 1.32 1.98 -0.42 0.00 -1.52 0.00 0.00 31.29 32.66 1xy0 h VAL 34 CO -0.17 0.62 -0.64 -1.22 0.02 0.00 0.00 177.57 176.18 1xy0 n TYR 35 N -3.91 2.98 0.20 1.57 4.01 -0.41 -4.94 117.16 116.66 1xy0 n TYR 35 Ca -0.06 -4.13 0.17 0.00 -0.16 0.00 0.00 57.90 53.72 1xy0 n TYR 35 Cb 0.72 -0.53 0.71 0.00 -0.31 0.00 0.00 39.34 39.93 1xy0 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xy0 h PRO 36 N 4.67 0.00 0.00 -0.72 0.13 -1.73 0.27 132.00 134.63 1xy0 h PRO 36 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1xy0 h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1xy0 h PRO 36 CO 0.74 0.00 -0.14 0.11 -0.23 0.00 0.00 178.00 178.48 1xy0 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.49 115.95 114.20 1xy0 h TRP 37 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.09 1xy0 h TRP 37 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.30 1xy0 h TRP 37 CO 0.00 0.14 0.00 0.25 0.09 0.00 0.00 178.44 178.92 1xy0 n THR 38 N -3.86 1.28 0.40 0.12 -2.24 0.95 -1.92 114.28 109.02 1xy0 n THR 38 Ca -0.02 0.39 0.09 0.00 -2.27 0.00 0.00 64.05 62.25 1xy0 n THR 38 Cb 0.24 -1.29 0.40 0.00 -2.10 0.00 0.00 70.33 67.58 1xy0 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xy0 n GLN 39 N -1.74 0.11 0.07 -0.78 6.02 -0.56 -3.21 117.38 117.28 1xy0 n GLN 39 Ca 0.01 0.38 0.21 0.00 -0.01 0.00 0.00 57.00 57.59 1xy0 n GLN 39 Cb 0.11 -1.72 0.74 0.00 1.02 0.00 0.00 30.24 30.39 1xy0 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1xy0 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.60 -0.92 114.38 110.88 1xy0 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xy0 h ARG 40 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1xy0 h ARG 40 CO 0.00 0.00 -0.51 1.19 0.10 0.00 0.00 179.97 180.75 1xy0 n PHE 41 N -3.83 0.01 -2.16 4.08 3.01 -1.20 -4.42 117.46 112.95 1xy0 n PHE 41 Ca 0.08 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.28 1xy0 n PHE 41 Cb 0.62 -0.26 0.02 0.00 -0.01 0.00 0.00 39.48 39.85 1xy0 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xy0 n PHE 42 N -1.51 3.03 0.48 1.38 3.01 -0.35 -4.79 117.46 118.70 1xy0 n PHE 42 Ca 0.05 -2.59 0.12 0.00 1.01 0.00 0.00 57.45 56.04 1xy0 n PHE 42 Cb 0.34 -0.31 0.46 0.00 -0.01 0.00 0.00 39.48 39.96 1xy0 n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1xy0 n GLU 43 N -0.63 0.20 0.00 -1.08 0.28 -1.26 -2.32 120.64 115.84 1xy0 n GLU 43 Ca 0.43 0.35 0.14 0.00 -0.16 0.00 0.00 57.16 57.92 1xy0 n GLU 43 Cb 0.82 -1.83 0.52 0.00 1.43 0.00 0.00 31.44 32.39 1xy0 n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1xy0 n SER 44 N -2.20 1.35 0.06 -1.84 3.41 -1.26 -3.61 113.62 109.54 1xy0 n SER 44 Ca 0.03 -1.38 0.13 0.00 -0.26 0.00 0.00 58.87 57.39 1xy0 n SER 44 Cb 0.29 0.02 0.36 0.00 -0.26 0.00 0.00 64.21 64.61 1xy0 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xy0 n PHE 45 N -0.01 0.56 -1.83 7.33 0.99 -0.98 -5.04 117.46 118.48 1xy0 n PHE 45 Ca 0.18 0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.79 1xy0 n PHE 45 Cb 0.34 -0.71 0.00 0.00 -1.00 0.00 0.00 39.48 38.11 1xy0 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xy0 n GLY 46 N 1.37 0.75 3.60 1.37 0.00 -1.24 -4.83 105.19 106.22 1xy0 n GLY 46 Ca 0.05 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1xy0 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xy0 s ASP 47 N -4.00 5.78 -0.07 1.61 3.68 -1.26 -4.81 116.67 117.60 1xy0 s ASP 47 Ca 0.00 1.49 0.10 0.00 2.13 0.00 0.00 52.55 56.27 1xy0 s ASP 47 Cb 0.00 -2.52 0.15 0.00 -1.45 0.00 0.00 42.92 39.10 1xy0 s ASP 47 CO 0.00 -1.77 1.08 0.18 0.13 0.00 0.00 175.17 174.79 1xy0 n LEU 48 N 10.63 1.26 0.26 -1.34 4.77 -1.26 -4.25 117.00 127.07 1xy0 n LEU 48 Ca 0.25 -2.11 0.10 0.00 -0.03 0.00 0.00 56.01 54.22 1xy0 n LEU 48 Cb 0.46 -0.23 0.70 0.00 -2.33 0.00 0.00 43.42 42.02 1xy0 n LEU 48 CO 0.68 0.49 1.05 0.77 -1.33 0.00 0.00 177.39 179.05 1xy0 h SER 49 N 0.00 0.00 -5.49 -1.43 4.64 -1.91 -3.44 113.55 105.93 1xy0 h SER 49 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1xy0 h SER 49 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1xy0 h SER 49 CO 0.00 0.04 -0.62 0.42 -0.87 0.00 0.00 176.83 175.80 1xy0 s THR 50 N -4.81 0.05 0.23 2.95 -4.23 -1.26 -5.02 115.64 103.55 1xy0 s THR 50 Ca -0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.39 1xy0 s THR 50 Cb 0.16 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.68 1xy0 s THR 50 CO 0.64 -0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.93 1xy0 h PRO 51 N 2.60 0.97 -0.52 3.99 0.11 -1.99 -1.80 132.00 135.36 1xy0 h PRO 51 Ca -0.36 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 1xy0 h PRO 51 Cb 1.25 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1xy0 h PRO 51 CO 0.54 0.64 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.41 1xy0 h ASP 52 N 1.00 0.99 -0.73 -2.05 3.32 -1.97 -0.28 116.42 116.69 1xy0 h ASP 52 Ca 0.34 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xy0 h ASP 52 Cb 0.05 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1xy0 h ASP 52 CO -0.13 1.11 0.49 0.00 -1.72 0.00 0.00 179.24 178.98 1xy0 h ALA 53 N 0.98 1.47 0.21 3.45 0.00 -1.71 -1.96 119.26 121.70 1xy0 h ALA 53 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xy0 h ALA 53 Cb 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xy0 h ALA 53 CO 0.05 0.49 -0.10 0.28 0.00 0.00 0.00 179.25 179.97 1xy0 h VAL 54 N 1.00 0.17 -0.65 0.00 2.07 -0.99 -2.92 116.25 114.92 1xy0 h VAL 54 Ca 0.27 -0.88 0.13 0.00 0.82 0.00 0.00 66.70 67.04 1xy0 h VAL 54 Cb -0.11 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1xy0 h VAL 54 CO -0.06 0.05 0.44 0.24 0.02 0.00 0.00 177.57 178.27 1xy0 h MET 55 N -1.05 0.32 -0.02 1.57 2.07 -1.05 -2.52 114.93 114.25 1xy0 h MET 55 Ca -0.03 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1xy0 h MET 55 Cb 0.30 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1xy0 h MET 55 CO 0.05 0.21 -0.33 0.41 1.07 0.00 0.00 176.91 178.32 1xy0 n GLY 56 N -1.54 0.29 3.65 8.32 0.00 -0.74 -4.82 105.19 110.34 1xy0 n GLY 56 Ca 0.12 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1xy0 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xy0 s ASN 57 N -2.28 6.32 0.40 1.61 3.84 -0.95 -4.86 114.94 119.01 1xy0 s ASN 57 Ca 0.21 2.48 0.11 0.00 0.21 0.00 0.00 52.86 55.87 1xy0 s ASN 57 Cb 0.18 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 39.28 1xy0 s ASN 57 CO 0.48 -1.19 1.94 1.55 -2.79 0.00 0.00 177.10 177.10 1xy0 h PRO 58 N 11.17 0.53 -0.37 0.43 0.13 -1.91 -1.46 132.00 140.52 1xy0 h PRO 58 Ca -0.47 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 1xy0 h PRO 58 Cb 1.23 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1xy0 h PRO 58 CO 0.95 0.35 -0.31 0.87 -0.23 0.00 0.00 178.00 179.62 1xy0 h LYS 59 N 0.54 0.81 -0.41 0.86 1.57 -1.89 -2.56 116.57 115.49 1xy0 h LYS 59 Ca 0.33 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1xy0 h LYS 59 Cb 0.57 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1xy0 h LYS 59 CO -0.11 1.01 -0.03 0.28 -0.57 0.00 0.00 179.45 180.03 1xy0 h VAL 60 N 0.69 1.27 -0.71 0.50 2.07 -1.62 -1.54 116.25 116.89 1xy0 h VAL 60 Ca 0.07 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1xy0 h VAL 60 Cb 0.86 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1xy0 h VAL 60 CO 0.08 0.36 0.31 0.11 0.02 0.00 0.00 177.57 178.45 1xy0 h LYS 61 N 0.58 1.04 -0.20 1.57 1.57 -1.21 -0.87 116.57 119.04 1xy0 h LYS 61 Ca 0.11 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1xy0 h LYS 61 Cb 0.53 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xy0 h LYS 61 CO 0.03 0.83 -0.13 0.00 -0.57 0.00 0.00 179.45 179.60 1xy0 h ALA 62 N 1.31 0.28 -0.28 3.86 0.00 -1.39 -2.73 119.26 120.32 1xy0 h ALA 62 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xy0 h ALA 62 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xy0 h ALA 62 CO -0.03 0.15 0.07 1.25 0.00 0.00 0.00 179.25 180.70 1xy0 h HIS 63 N 0.12 0.46 -0.73 0.00 -0.00 -1.13 -2.28 115.15 111.59 1xy0 h HIS 63 Ca 0.04 -0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.44 1xy0 h HIS 63 Cb 0.65 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 27.88 1xy0 h HIS 63 CO 0.07 0.51 0.48 0.78 -0.00 0.00 0.00 177.93 179.77 1xy0 h GLY 64 N 0.29 0.93 1.27 5.26 0.00 -1.18 0.56 103.07 110.19 1xy0 h GLY 64 Ca 0.09 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1xy0 h GLY 64 CO -0.00 0.19 -0.46 1.70 0.00 0.00 0.00 176.54 177.97 1xy0 h LYS 65 N 0.69 0.78 0.61 4.80 3.64 -1.28 -0.92 116.57 124.90 1xy0 h LYS 65 Ca 0.33 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1xy0 h LYS 65 Cb 0.37 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1xy0 h LYS 65 CO -0.11 1.07 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.63 1xy0 h LYS 66 N 0.63 -0.79 -0.32 1.90 3.64 -0.42 0.39 116.57 121.59 1xy0 h LYS 66 Ca 0.04 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1xy0 h LYS 66 Cb 1.03 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 1xy0 h LYS 66 CO 0.10 -0.48 -0.19 0.28 -2.27 0.00 0.00 179.45 176.90 1xy0 h VAL 67 N -1.05 0.46 0.00 2.00 2.07 -0.99 -0.03 116.25 118.71 1xy0 h VAL 67 Ca -0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1xy0 h VAL 67 Cb 0.68 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1xy0 h VAL 67 CO 0.14 0.00 -0.16 -0.07 0.02 0.00 0.00 177.57 177.50 1xy0 h LEU 68 N -0.15 0.00 0.20 2.57 3.38 -1.13 -1.39 115.31 118.79 1xy0 h LEU 68 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1xy0 h LEU 68 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xy0 h LEU 68 CO -0.41 0.16 -0.10 1.23 0.09 0.00 0.00 178.44 179.41 1xy0 h GLY 69 N 1.62 -0.28 1.49 0.83 0.00 0.95 0.74 103.07 108.40 1xy0 h GLY 69 Ca -0.00 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1xy0 h GLY 69 CO 0.02 -0.10 0.27 0.00 0.00 0.00 0.00 176.54 176.72 1xy0 h ALA 70 N 0.32 1.54 -0.30 3.60 0.00 -0.97 -1.65 119.26 121.80 1xy0 h ALA 70 Ca -0.03 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1xy0 h ALA 70 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xy0 h ALA 70 CO 0.05 0.39 -0.44 0.35 0.00 0.00 0.00 179.25 179.59 1xy0 h PHE 71 N 0.69 0.94 -0.47 0.00 3.57 -0.97 -2.61 116.94 118.09 1xy0 h PHE 71 Ca 0.18 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.33 1xy0 h PHE 71 Cb 0.03 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1xy0 h PHE 71 CO 0.00 1.07 0.08 0.77 -2.23 0.00 0.00 178.31 178.00 1xy0 h SER 72 N 0.62 0.68 -0.74 0.41 0.02 0.09 -1.60 113.55 113.03 1xy0 h SER 72 Ca 0.04 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1xy0 h SER 72 Cb 1.01 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1xy0 h SER 72 CO 0.10 0.70 0.40 0.44 -1.14 0.00 0.00 176.83 177.32 1xy0 h ASP 73 N 0.70 0.93 -0.82 3.07 5.19 -1.24 -2.19 116.42 122.07 1xy0 h ASP 73 Ca 0.15 -0.10 0.11 0.00 -0.62 0.00 0.00 57.03 56.56 1xy0 h ASP 73 Cb 0.32 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.53 1xy0 h ASP 73 CO 0.00 0.77 0.53 1.23 -3.12 0.00 0.00 179.24 178.66 1xy0 h GLY 74 N 1.02 1.08 2.00 2.75 0.00 -0.93 -0.79 103.07 108.20 1xy0 h GLY 74 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xy0 h GLY 74 CO -0.04 0.16 0.00 1.04 0.00 0.00 0.00 176.54 177.70 1xy0 n LEU 75 N -4.52 0.19 -0.67 3.11 4.77 -0.82 -2.03 117.00 117.03 1xy0 n LEU 75 Ca 0.14 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.78 1xy0 n LEU 75 Cb 0.35 -0.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1xy0 n LEU 75 CO 0.32 -0.43 0.45 0.00 -1.33 0.00 0.00 177.39 176.40 1xy0 n ALA 76 N -1.58 2.89 -2.63 -1.18 0.00 -0.31 -4.37 120.51 113.33 1xy0 n ALA 76 Ca 0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 1xy0 n ALA 76 Cb 0.14 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 18.90 1xy0 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xy0 n HIS 77 N 0.64 1.63 0.18 0.00 8.25 -0.86 -4.89 115.22 120.17 1xy0 n HIS 77 Ca 0.11 -2.60 0.08 0.00 -0.26 0.00 0.00 57.72 55.04 1xy0 n HIS 77 Cb 0.48 -0.29 0.38 0.00 1.12 0.00 0.00 29.99 31.68 1xy0 n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xy0 n LEU 78 N -0.33 0.36 0.06 2.41 7.94 -1.16 -0.68 117.00 125.61 1xy0 n LEU 78 Ca 0.16 0.65 0.03 0.00 -1.11 0.00 0.00 56.01 55.73 1xy0 n LEU 78 Cb 0.80 -0.67 -0.05 0.00 0.53 0.00 0.00 43.42 44.04 1xy0 n LEU 78 CO 0.23 -0.70 -0.13 -0.78 -1.11 0.00 0.00 177.39 174.91 1xy0 h ASP 79 N 0.00 0.00 -1.73 1.96 -0.00 -1.90 -3.41 116.42 111.34 1xy0 h ASP 79 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.56 1xy0 h ASP 79 Cb 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 39.33 39.05 1xy0 h ASP 79 CO 0.00 0.45 -1.07 -3.20 -0.00 0.00 0.00 179.24 175.42 1xy0 n ASN 80 N -2.89 0.18 -0.14 2.28 5.15 0.15 -4.96 115.26 115.03 1xy0 n ASN 80 Ca -0.06 -3.00 -0.10 0.00 -0.60 0.00 0.00 54.58 50.82 1xy0 n ASN 80 Cb 0.77 -0.28 -0.01 0.00 -0.53 0.00 0.00 39.78 39.73 1xy0 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xy0 h LEU 81 N 3.33 0.71 -0.97 1.20 3.38 -1.76 0.26 115.31 121.47 1xy0 h LEU 81 Ca 0.06 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1xy0 h LEU 81 Cb 0.96 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1xy0 h LEU 81 CO 0.45 0.86 0.64 0.11 0.09 0.00 0.00 178.44 180.58 1xy0 h LYS 82 N 0.55 1.26 0.39 1.13 1.57 -1.90 0.33 116.57 119.90 1xy0 h LYS 82 Ca 0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1xy0 h LYS 82 Cb 0.50 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xy0 h LYS 82 CO 0.02 0.83 -0.19 0.78 -0.57 0.00 0.00 179.45 180.33 1xy0 h GLY 83 N 1.30 -0.55 0.46 3.86 0.00 -1.90 -2.43 103.07 103.82 1xy0 h GLY 83 Ca 0.36 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.97 1xy0 h GLY 83 CO -0.08 -0.20 0.15 -0.84 0.00 0.00 0.00 176.54 175.57 1xy0 h THR 84 N -0.64 0.79 -0.25 4.70 2.02 -0.31 -2.93 112.91 116.29 1xy0 h THR 84 Ca -0.05 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1xy0 h THR 84 Cb 0.47 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1xy0 h THR 84 CO 0.09 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1xy0 n PHE 85 N -5.04 0.32 -0.09 3.16 3.01 0.11 -4.60 117.46 114.34 1xy0 n PHE 85 Ca 0.05 -0.16 -0.06 0.00 1.01 0.00 0.00 57.45 58.29 1xy0 n PHE 85 Cb 0.22 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.69 1xy0 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xy0 h ALA 86 N 3.99 0.29 -0.27 4.37 0.00 -1.24 0.23 119.26 126.63 1xy0 h ALA 86 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1xy0 h ALA 86 Cb 0.54 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1xy0 h ALA 86 CO 0.00 -0.40 -0.36 1.79 0.00 0.00 0.00 179.25 180.28 1xy0 h THR 87 N 0.10 1.29 -0.47 0.00 1.35 -1.83 -1.38 112.91 111.96 1xy0 h THR 87 Ca 0.15 -1.50 -0.07 0.00 -0.55 0.00 0.00 66.41 64.44 1xy0 h THR 87 Cb 0.21 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.08 1xy0 h THR 87 CO -0.26 0.48 0.01 0.25 -0.25 0.00 0.00 175.52 175.75 1xy0 h LEU 88 N 0.51 0.81 -0.40 3.87 5.85 -1.80 -0.96 115.31 123.19 1xy0 h LEU 88 Ca 0.05 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1xy0 h LEU 88 Cb 0.85 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1xy0 h LEU 88 CO 0.07 0.91 0.24 -1.28 -0.34 0.00 0.00 178.44 178.05 1xy0 h SER 89 N 0.68 0.39 -0.76 1.25 0.87 -0.32 0.09 113.55 115.75 1xy0 h SER 89 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1xy0 h SER 89 Cb 0.49 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1xy0 h SER 89 CO 0.02 0.28 0.47 -0.33 -0.53 0.00 0.00 176.83 176.74 1xy0 h GLU 90 N 0.49 1.03 -0.09 2.24 5.08 -0.97 -2.62 114.58 119.73 1xy0 h GLU 90 Ca 0.16 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1xy0 h GLU 90 Cb -0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1xy0 h GLU 90 CO -0.07 0.72 0.04 1.25 -1.00 0.00 0.00 179.01 179.95 1xy0 h LEU 91 N 1.04 0.13 -1.52 1.33 5.85 -0.63 -1.36 115.31 120.16 1xy0 h LEU 91 Ca 0.28 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1xy0 h LEU 91 Cb -0.05 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1xy0 h LEU 91 CO -0.05 0.26 0.39 0.45 -0.34 0.00 0.00 178.44 179.15 1xy0 h HIS 92 N -0.01 0.60 0.02 1.25 3.86 -0.85 0.73 115.15 120.75 1xy0 h HIS 92 Ca 0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1xy0 h HIS 92 Cb 0.18 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1xy0 h HIS 92 CO -0.01 0.33 -0.01 0.00 0.86 0.00 0.00 177.93 179.10 1xy0 h ASP 94 N -0.08 0.30 0.00 0.00 3.32 -1.28 -2.81 116.42 115.87 1xy0 h ASP 94 Ca -0.00 -0.14 -0.33 0.00 0.02 0.00 0.00 57.03 56.58 1xy0 h ASP 94 Cb 0.02 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1xy0 h ASP 94 CO 0.00 0.71 -2.11 0.29 -1.72 0.00 0.00 179.24 176.42 1xy0 n LYS 95 N -4.00 0.43 0.06 3.56 4.01 0.18 -4.73 118.16 117.67 1xy0 n LYS 95 Ca -0.02 0.18 -0.05 0.00 -0.51 0.00 0.00 58.31 57.91 1xy0 n LYS 95 Cb 0.51 -1.24 -0.09 0.00 -0.51 0.00 0.00 35.03 33.70 1xy0 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1xy0 h LEU 96 N -0.61 0.00 -1.63 -0.35 3.38 -1.43 -3.49 115.31 111.18 1xy0 h LEU 96 Ca -0.50 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.10 1xy0 h LEU 96 Cb 1.48 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.34 1xy0 h LEU 96 CO -0.27 0.87 -0.79 1.41 0.09 0.00 0.00 178.44 179.75 1xy0 n HIS 97 N -3.22 -2.13 -3.24 1.13 8.25 0.16 -4.97 115.22 111.19 1xy0 n HIS 97 Ca -0.04 0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 57.92 1xy0 n HIS 97 Cb 0.92 -4.79 -0.08 0.00 1.12 0.00 0.00 29.99 27.16 1xy0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xy0 s VAL 98 N -3.47 5.03 0.12 1.59 1.01 -0.19 -5.01 120.40 119.48 1xy0 s VAL 98 Ca 0.06 0.49 -0.33 0.00 0.00 0.00 0.00 61.98 62.20 1xy0 s VAL 98 Cb -0.03 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 1xy0 s VAL 98 CO 0.76 -0.12 1.73 -0.67 0.00 0.00 0.00 175.10 176.80 1xy0 n ASP 99 N 5.68 3.60 0.27 3.32 4.64 -1.26 -4.71 116.55 128.09 1xy0 n ASP 99 Ca -0.05 1.03 0.17 0.00 -1.38 0.00 0.00 54.79 54.56 1xy0 n ASP 99 Cb 0.49 -1.48 0.90 0.00 -1.04 0.00 0.00 41.12 39.99 1xy0 n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1xy0 h PRO 100 N 7.40 0.00 -0.02 -0.67 0.11 -1.96 -1.64 132.00 135.21 1xy0 h PRO 100 Ca -0.46 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1xy0 h PRO 100 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xy0 h PRO 100 CO 0.93 0.00 0.02 1.49 -0.21 0.00 0.00 178.00 180.23 1xy0 h GLU 101 N 0.00 0.00 -0.94 1.05 4.57 -1.98 -1.63 114.58 115.65 1xy0 h GLU 101 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1xy0 h GLU 101 Cb 0.17 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.68 1xy0 h GLU 101 CO 0.00 0.00 0.59 -0.91 -1.18 0.00 0.00 179.01 177.51 1xy0 h ASN 102 N 0.00 0.90 0.09 1.04 -0.26 -1.66 0.06 115.58 115.75 1xy0 h ASN 102 Ca 0.01 0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 1xy0 h ASN 102 Cb 0.05 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1xy0 h ASN 102 CO -0.00 0.54 -0.18 -0.26 -1.06 0.00 0.00 177.43 176.47 1xy0 h PHE 103 N 1.02 0.19 0.13 1.19 0.04 -1.49 0.11 116.94 118.14 1xy0 h PHE 103 Ca 0.43 -0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.89 1xy0 h PHE 103 Cb 0.28 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 38.40 1xy0 h PHE 103 CO -0.02 0.36 -1.24 0.00 -0.60 0.00 0.00 178.31 176.81 1xy0 h ARG 104 N 0.17 0.44 -0.07 1.51 3.08 -1.05 -2.23 114.38 116.25 1xy0 h ARG 104 Ca 0.03 -0.66 0.01 0.00 0.07 0.00 0.00 59.98 59.43 1xy0 h ARG 104 Cb 0.43 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1xy0 h ARG 104 CO 0.03 1.29 0.02 -0.07 -1.07 0.00 0.00 179.97 180.16 1xy0 h LEU 105 N 0.17 0.01 -1.07 3.04 3.38 -0.87 -1.79 115.31 118.18 1xy0 h LEU 105 Ca -0.16 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1xy0 h LEU 105 Cb 1.93 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.62 1xy0 h LEU 105 CO 0.22 0.02 0.62 0.25 0.09 0.00 0.00 178.44 179.64 1xy0 h LEU 106 N 0.05 0.94 -0.52 1.67 5.85 -0.80 -1.65 115.31 120.86 1xy0 h LEU 106 Ca 0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xy0 h LEU 106 Cb 0.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1xy0 h LEU 106 CO -0.03 0.57 0.32 1.23 -0.34 0.00 0.00 178.44 180.18 1xy0 h GLY 107 N 1.05 0.73 0.99 3.75 0.00 -0.73 -0.01 103.07 108.85 1xy0 h GLY 107 Ca 0.44 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 1xy0 h GLY 107 CO -0.20 0.21 0.15 3.43 0.00 0.00 0.00 176.54 180.14 1xy0 h ASN 108 N 0.64 0.81 -0.39 0.19 2.35 -0.53 -2.25 115.58 116.40 1xy0 h ASN 108 Ca 0.20 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1xy0 h ASN 108 Cb -0.00 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1xy0 h ASN 108 CO -0.08 0.82 0.20 0.58 -1.65 0.00 0.00 177.43 177.30 1xy0 h VAL 109 N 0.77 1.00 -0.72 2.81 2.07 -1.09 -2.19 116.25 118.91 1xy0 h VAL 109 Ca 0.17 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1xy0 h VAL 109 Cb 0.31 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1xy0 h VAL 109 CO -0.00 0.08 0.42 0.25 0.02 0.00 0.00 177.57 178.33 1xy0 h LEU 110 N 0.41 0.65 -1.02 2.57 5.85 -0.75 -0.55 115.31 122.48 1xy0 h LEU 110 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1xy0 h LEU 110 Cb 0.05 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1xy0 h LEU 110 CO -0.10 0.42 0.61 0.58 -0.34 0.00 0.00 178.44 179.62 1xy0 h VAL 111 N 0.78 1.25 -0.48 1.05 2.07 -1.12 0.17 116.25 119.98 1xy0 h VAL 111 Ca 0.31 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1xy0 h VAL 111 Cb 0.15 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1xy0 h VAL 111 CO -0.16 0.25 -0.03 0.00 0.02 0.00 0.00 177.57 177.64 1xy0 h VAL 113 N 0.71 1.18 -0.33 0.00 2.07 -0.41 0.36 116.25 119.83 1xy0 h VAL 113 Ca 0.13 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1xy0 h VAL 113 Cb 0.56 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1xy0 h VAL 113 CO 0.03 0.19 -0.07 -0.07 0.02 0.00 0.00 177.57 177.67 1xy0 h LEU 114 N 0.84 0.52 -0.27 2.57 3.38 -0.55 -1.12 115.31 120.67 1xy0 h LEU 114 Ca 0.22 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1xy0 h LEU 114 Cb -0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xy0 h LEU 114 CO -0.04 0.64 -0.35 0.00 0.09 0.00 0.00 178.44 178.78 1xy0 h ALA 115 N 1.42 0.41 -0.37 1.53 0.00 -0.46 -1.01 119.26 120.77 1xy0 h ALA 115 Ca 0.10 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1xy0 h ALA 115 Cb 0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1xy0 h ALA 115 CO 0.02 0.47 0.08 1.25 0.00 0.00 0.00 179.25 181.08 1xy0 h HIS 116 N 0.46 0.14 -0.03 0.00 -0.00 0.05 -0.90 115.15 114.87 1xy0 h HIS 116 Ca 0.03 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.37 1xy0 h HIS 116 Cb 0.93 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 1xy0 h HIS 116 CO 0.08 0.03 -0.20 0.45 -0.00 0.00 0.00 177.93 178.28 1xy0 h HIS 117 N 0.21 0.26 -0.01 5.26 -0.00 -1.19 -3.36 115.15 116.33 1xy0 h HIS 117 Ca 0.18 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1xy0 h HIS 117 Cb 0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1xy0 h HIS 117 CO -0.18 0.85 -0.45 1.19 -0.00 0.00 0.00 177.93 179.33 1xy0 n PHE 118 N -4.55 0.00 -0.70 2.45 3.01 -0.39 -5.01 117.46 112.27 1xy0 n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1xy0 n PHE 118 Cb 0.45 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 1xy0 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xy0 n GLY 119 N 1.42 2.73 0.36 1.37 0.00 -0.34 -1.38 105.19 109.35 1xy0 n GLY 119 Ca 0.09 -0.12 0.19 0.00 0.00 0.00 0.00 46.02 46.17 1xy0 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xy0 h LYS 120 N 0.00 0.00 0.00 1.61 3.11 -1.95 -0.71 116.57 118.63 1xy0 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1xy0 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1xy0 h LYS 120 CO 0.00 0.00 -0.06 1.49 -2.81 0.00 0.00 179.45 178.07 1xy0 h GLU 121 N 0.00 0.00 -3.95 1.90 4.81 -1.63 -3.28 114.58 112.43 1xy0 h GLU 121 Ca 0.14 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.62 1xy0 h GLU 121 Cb 0.82 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.05 1xy0 h GLU 121 CO -0.00 0.06 1.92 0.34 -0.73 0.00 0.00 179.01 180.60 1xy0 n PHE 122 N -3.25 3.59 -1.16 0.92 7.35 -0.27 -4.94 117.46 119.69 1xy0 n PHE 122 Ca -0.00 -2.96 -0.31 0.00 -0.76 0.00 0.00 57.45 53.41 1xy0 n PHE 122 Cb 0.28 -2.07 0.11 0.00 0.35 0.00 0.00 39.48 38.15 1xy0 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xy0 s THR 123 N 1.00 3.00 0.22 -2.13 -4.23 -1.24 -4.74 115.64 107.51 1xy0 s THR 123 Ca 0.41 0.34 -0.14 0.00 -1.18 0.00 0.00 61.69 61.12 1xy0 s THR 123 Cb 0.06 -2.72 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1xy0 s THR 123 CO 0.00 -0.41 1.60 -0.65 -0.54 0.00 0.00 174.62 174.62 1xy0 h PRO 124 N -1.21 -0.04 0.00 3.99 0.11 -1.94 0.22 132.00 133.14 1xy0 h PRO 124 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1xy0 h PRO 124 Cb 1.24 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1xy0 h PRO 124 CO 0.49 -0.02 -0.18 -1.35 -0.21 0.00 0.00 178.00 176.73 1xy0 h PRO 125 N -0.04 0.00 0.03 1.05 0.11 -1.99 -1.89 132.00 129.27 1xy0 h PRO 125 Ca 0.32 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.20 1xy0 h PRO 125 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1xy0 h PRO 125 CO -0.74 0.18 -1.01 0.28 -0.21 0.00 0.00 178.00 176.50 1xy0 h VAL 126 N 0.00 1.44 -0.69 3.15 2.07 -0.96 -2.99 116.25 118.26 1xy0 h VAL 126 Ca -0.00 -2.62 -0.06 0.00 0.82 0.00 0.00 66.70 64.84 1xy0 h VAL 126 Cb 0.48 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1xy0 h VAL 126 CO 0.02 0.77 0.18 -0.61 0.02 0.00 0.00 177.57 177.96 1xy0 h GLN 127 N 0.18 1.10 -0.87 1.57 4.15 -0.86 -1.77 115.11 118.61 1xy0 h GLN 127 Ca -0.09 -0.26 0.03 0.00 0.77 0.00 0.00 58.65 59.10 1xy0 h GLN 127 Cb 1.67 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 29.16 1xy0 h GLN 127 CO 0.17 0.97 0.57 0.00 -1.93 0.00 0.00 178.83 178.61 1xy0 h ALA 128 N 1.08 1.44 -0.27 3.38 0.00 -1.29 0.50 119.26 124.12 1xy0 h ALA 128 Ca 0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1xy0 h ALA 128 Cb 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xy0 h ALA 128 CO -0.00 0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.59 1xy0 h ALA 129 N 1.49 0.37 -0.25 0.00 0.00 -1.34 -2.66 119.26 116.86 1xy0 h ALA 129 Ca 0.34 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1xy0 h ALA 129 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xy0 h ALA 129 CO -0.10 0.26 -0.24 1.88 0.00 0.00 0.00 179.25 181.06 1xy0 h TYR 130 N 0.30 0.53 -0.53 0.00 0.05 -0.56 -1.70 116.97 115.06 1xy0 h TYR 130 Ca 0.06 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1xy0 h TYR 130 Cb 0.66 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1xy0 h TYR 130 CO 0.06 0.68 0.34 1.96 -1.05 0.00 0.00 178.16 180.16 1xy0 h GLN 131 N 0.42 0.70 -0.88 4.88 1.08 0.09 0.21 115.11 121.60 1xy0 h GLN 131 Ca 0.06 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1xy0 h GLN 131 Cb 0.65 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 1xy0 h GLN 131 CO 0.05 0.47 0.57 0.87 -0.95 0.00 0.00 178.83 179.85 1xy0 h LYS 132 N 0.71 1.17 -0.06 1.46 1.57 -1.15 -2.32 116.57 117.95 1xy0 h LYS 132 Ca 0.19 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1xy0 h LYS 132 Cb -0.07 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 31.98 1xy0 h LYS 132 CO -0.04 0.78 -0.06 0.28 -0.57 0.00 0.00 179.45 179.84 1xy0 h VAL 133 N 1.20 1.37 -0.06 0.50 2.07 -0.33 -1.66 116.25 119.34 1xy0 h VAL 133 Ca 0.32 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1xy0 h VAL 133 Cb -0.12 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1xy0 h VAL 133 CO -0.07 0.33 -0.17 -0.37 0.02 0.00 0.00 177.57 177.32 1xy0 h VAL 134 N -0.28 1.16 -0.36 2.57 -1.51 -0.60 -1.70 116.25 115.53 1xy0 h VAL 134 Ca 0.01 -0.73 -0.14 0.00 -1.23 0.00 0.00 66.70 64.61 1xy0 h VAL 134 Cb 0.57 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1xy0 h VAL 134 CO 0.02 0.22 -0.32 0.00 -1.23 0.00 0.00 177.57 176.26 1xy0 h ALA 135 N 1.73 0.52 -0.74 5.19 0.00 -1.34 -1.95 119.26 122.68 1xy0 h ALA 135 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1xy0 h ALA 135 Cb 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xy0 h ALA 135 CO 0.02 0.57 0.42 0.78 0.00 0.00 0.00 179.25 181.04 1xy0 h GLY 136 N 0.64 1.09 0.90 0.00 0.00 -0.66 0.28 103.07 105.31 1xy0 h GLY 136 Ca 0.06 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1xy0 h GLY 136 CO 0.08 0.46 -0.02 -2.08 0.00 0.00 0.00 176.54 174.98 1xy0 h VAL 137 N 1.01 1.26 -0.97 4.60 2.07 -1.27 0.12 116.25 123.07 1xy0 h VAL 137 Ca 0.26 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1xy0 h VAL 137 Cb 0.01 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1xy0 h VAL 137 CO -0.04 0.33 0.64 0.00 0.02 0.00 0.00 177.57 178.52 1xy0 h ALA 138 N 0.84 1.25 -0.32 1.67 0.00 -1.09 0.28 119.26 121.88 1xy0 h ALA 138 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xy0 h ALA 138 Cb 0.48 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xy0 h ALA 138 CO 0.02 0.60 0.08 -0.91 0.00 0.00 0.00 179.25 179.04 1xy0 h ASN 139 N 1.30 0.48 -0.90 0.00 -0.26 -0.62 -1.62 115.58 113.95 1xy0 h ASN 139 Ca 0.37 -0.23 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1xy0 h ASN 139 Cb -0.11 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 36.98 1xy0 h ASN 139 CO -0.09 0.58 0.54 0.00 -1.06 0.00 0.00 177.43 177.40 1xy0 h ALA 140 N 0.92 1.15 0.00 -0.83 0.00 -0.14 -0.64 119.26 119.72 1xy0 h ALA 140 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xy0 h ALA 140 Cb 0.28 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xy0 h ALA 140 CO 0.00 0.62 -0.05 -0.07 0.00 0.00 0.00 179.25 179.75 1xy0 h LEU 141 N 1.25 0.00 0.00 0.00 3.38 -0.21 -2.85 115.31 116.87 1xy0 h LEU 141 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1xy0 h LEU 141 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xy0 h LEU 141 CO -0.06 0.05 -1.02 0.00 0.09 0.00 0.00 178.44 177.50 1xy0 n ALA 142 N -2.13 4.64 -0.29 1.53 0.00 -0.59 -4.46 120.51 119.21 1xy0 n ALA 142 Ca 0.00 -0.59 0.16 0.00 0.00 0.00 0.00 53.44 53.02 1xy0 n ALA 142 Cb 0.33 -0.78 0.44 0.00 0.00 0.00 0.00 19.45 19.43 1xy0 n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xy0 h HIS 143 N 0.00 0.74 -0.38 0.00 2.07 -0.91 -0.58 115.15 116.09 1xy0 h HIS 143 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1xy0 h HIS 143 Cb 0.52 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.27 1xy0 h HIS 143 CO 0.00 0.19 0.00 1.63 -3.07 0.00 0.00 177.93 176.68 1xy0 n LYS 144 N -4.59 1.94 -2.69 5.12 4.76 -1.26 -4.92 118.16 116.52 1xy0 n LYS 144 Ca 0.21 -1.39 -0.34 0.00 -2.87 0.00 0.00 58.31 53.92 1xy0 n LYS 144 Cb 0.64 -1.33 -0.05 0.00 -1.84 0.00 0.00 35.03 32.45 1xy0 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xy0 s TYR 145 N -1.51 3.21 0.00 2.13 2.02 -0.23 -4.79 117.35 118.18 1xy0 s TYR 145 Ca 0.26 1.61 0.00 0.00 -0.37 0.00 0.00 57.07 58.57 1xy0 s TYR 145 Cb 0.14 -2.96 0.00 0.00 -0.40 0.00 0.00 41.96 38.74 1xy0 s TYR 145 CO 0.17 -0.41 0.00 -2.39 -1.57 0.00 0.00 175.55 171.35