#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 3.09 -3.54 3.52 -0.00 -1.26 -4.86 115.22 112.18 1xy0 n HIS 2 Ca 0.00 -3.71 -0.38 0.00 -0.00 0.00 0.00 57.72 53.63 1xy0 n HIS 2 Cb 0.00 -0.39 -0.06 0.00 -0.00 0.00 0.00 29.99 29.54 1xy0 n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1xy0 s LEU 3 N -3.29 4.43 0.37 0.27 1.43 -1.26 -5.07 118.68 115.56 1xy0 s LEU 3 Ca 0.46 0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 54.17 1xy0 s LEU 3 Cb 0.33 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 1xy0 s LEU 3 CO -0.13 0.29 1.01 -0.89 0.23 0.00 0.00 176.35 176.86 1xy0 s THR 4 N -0.81 3.93 0.32 5.49 2.01 -1.26 -4.80 115.64 120.53 1xy0 s THR 4 Ca 0.22 1.52 0.10 0.00 0.31 0.00 0.00 61.69 63.84 1xy0 s THR 4 Cb -0.16 -3.80 0.33 0.00 0.01 0.00 0.00 72.50 68.88 1xy0 s THR 4 CO 0.11 0.05 1.65 1.55 -0.69 0.00 0.00 174.62 177.29 1xy0 h PRO 5 N 2.75 0.25 -0.63 4.92 0.13 -1.98 0.71 132.00 138.15 1xy0 h PRO 5 Ca -0.48 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1xy0 h PRO 5 Cb 1.20 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1xy0 h PRO 5 CO 0.63 0.17 0.22 0.93 -0.23 0.00 0.00 178.00 179.72 1xy0 h GLU 6 N 0.26 0.96 -0.03 0.86 3.07 -2.00 -1.21 114.58 116.50 1xy0 h GLU 6 Ca 0.68 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 59.23 1xy0 h GLU 6 Cb 1.51 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 1xy0 h GLU 6 CO -0.64 0.83 -0.51 0.93 -1.40 0.00 0.00 179.01 178.22 1xy0 h GLU 7 N 0.89 0.07 -0.29 2.33 5.08 -0.27 -2.52 114.58 119.88 1xy0 h GLU 7 Ca 0.21 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1xy0 h GLU 7 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1xy0 h GLU 7 CO -0.01 0.56 -0.25 0.87 -1.00 0.00 0.00 179.01 179.18 1xy0 h LYS 8 N 0.05 0.68 -0.53 2.33 1.57 0.53 -2.74 116.57 118.46 1xy0 h LYS 8 Ca -0.00 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 1xy0 h LYS 8 Cb 0.91 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1xy0 h LYS 8 CO 0.07 0.95 0.01 1.03 -0.57 0.00 0.00 179.45 180.94 1xy0 h SER 9 N 0.42 0.90 -0.50 0.86 0.87 -1.06 -2.09 113.55 112.94 1xy0 h SER 9 Ca 0.05 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.23 1xy0 h SER 9 Cb 0.81 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1xy0 h SER 9 CO 0.06 0.98 0.01 0.00 -0.53 0.00 0.00 176.83 177.36 1xy0 h ALA 10 N 0.95 0.99 0.65 6.23 0.00 -1.47 0.83 119.26 127.43 1xy0 h ALA 10 Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1xy0 h ALA 10 Cb 0.51 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xy0 h ALA 10 CO 0.03 0.62 -0.31 0.28 0.00 0.00 0.00 179.25 179.87 1xy0 h VAL 11 N 0.86 0.04 -0.64 0.00 2.07 -1.41 -2.92 116.25 114.26 1xy0 h VAL 11 Ca 0.16 -0.36 0.13 0.00 0.82 0.00 0.00 66.70 67.45 1xy0 h VAL 11 Cb 0.49 0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 30.19 1xy0 h VAL 11 CO 0.02 0.01 -0.19 0.74 0.02 0.00 0.00 177.57 178.16 1xy0 h THR 12 N -1.21 0.31 -0.01 2.57 2.02 -1.32 -1.18 112.91 114.09 1xy0 h THR 12 Ca -0.09 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 1xy0 h THR 12 Cb 0.68 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1xy0 h THR 12 CO 0.15 0.00 -0.55 0.00 0.37 0.00 0.00 175.52 175.49 1xy0 h ALA 13 N 1.53 1.07 0.04 6.16 0.00 -0.91 -3.05 119.26 124.09 1xy0 h ALA 13 Ca 0.30 -0.50 -0.26 0.00 0.00 0.00 0.00 54.91 54.45 1xy0 h ALA 13 Cb 0.49 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xy0 h ALA 13 CO -0.67 0.69 -1.02 1.25 0.00 0.00 0.00 179.25 179.50 1xy0 h LEU 14 N 0.03 0.83 -0.83 0.00 7.12 -1.09 -3.29 115.31 118.08 1xy0 h LEU 14 Ca -0.00 -0.77 0.16 0.00 0.13 0.00 0.00 57.88 57.39 1xy0 h LEU 14 Cb 0.98 -0.26 -0.10 0.00 -0.53 0.00 0.00 40.66 40.75 1xy0 h LEU 14 CO 0.07 1.50 0.39 -0.25 -0.13 0.00 0.00 178.44 180.03 1xy0 h TRP 15 N 0.26 0.67 -0.24 1.25 2.91 -1.24 0.20 115.95 119.75 1xy0 h TRP 15 Ca -0.14 0.04 0.07 0.00 1.13 0.00 0.00 58.89 59.99 1xy0 h TRP 15 Cb 1.69 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 30.16 1xy0 h TRP 15 CO 0.12 0.10 0.28 0.78 -1.03 0.00 0.00 178.44 178.69 1xy0 h GLY 16 N 0.53 0.00 -1.04 2.65 0.00 -1.60 0.29 103.07 103.91 1xy0 h GLY 16 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1xy0 h GLY 16 CO -0.41 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.41 1xy0 n LYS 17 N -3.74 1.91 -3.22 4.80 5.02 0.05 -4.94 118.16 118.04 1xy0 n LYS 17 Ca 0.03 -1.33 -0.39 0.00 -2.02 0.00 0.00 58.31 54.60 1xy0 n LYS 17 Cb 0.41 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.92 5.14 -0.63 -0.18 1.01 0.09 -5.02 120.40 118.89 1xy0 s VAL 18 Ca 0.35 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 1xy0 s VAL 18 Cb 0.20 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1xy0 s VAL 18 CO 0.31 0.29 0.91 0.21 0.00 0.00 0.00 175.10 176.83 1xy0 s ASN 19 N 0.70 6.20 0.38 3.32 3.84 -1.26 -4.89 114.94 123.23 1xy0 s ASN 19 Ca 0.30 -0.94 0.08 0.00 0.21 0.00 0.00 52.86 52.50 1xy0 s ASN 19 Cb -0.16 -2.40 0.82 0.00 -0.55 0.00 0.00 41.25 38.96 1xy0 s ASN 19 CO 0.13 -1.34 1.96 0.58 -2.79 0.00 0.00 177.10 175.63 1xy0 h VAL 20 N 5.97 0.97 0.20 -5.21 2.07 -1.95 -1.83 116.25 116.47 1xy0 h VAL 20 Ca -0.28 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1xy0 h VAL 20 Cb 1.07 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1xy0 h VAL 20 CO 1.15 0.12 -0.20 0.44 0.02 0.00 0.00 177.57 179.10 1xy0 h ASP 21 N 0.67 -0.53 0.01 0.57 5.19 -1.92 -0.80 116.42 119.60 1xy0 h ASP 21 Ca 0.32 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1xy0 h ASP 21 Cb 0.37 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1xy0 h ASP 21 CO -0.11 -0.30 -0.00 -0.33 -3.12 0.00 0.00 179.24 175.38 1xy0 h GLU 22 N -0.43 -0.01 -0.77 3.56 5.08 -1.93 -2.97 114.58 117.10 1xy0 h GLU 22 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1xy0 h GLU 22 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1xy0 h GLU 22 CO -0.05 0.66 0.51 0.28 -1.00 0.00 0.00 179.01 179.41 1xy0 h VAL 23 N -0.70 1.20 -0.69 3.13 2.07 -1.36 -1.47 116.25 118.43 1xy0 h VAL 23 Ca -0.00 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1xy0 h VAL 23 Cb 0.68 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1xy0 h VAL 23 CO 0.00 0.19 0.14 1.23 0.02 0.00 0.00 177.57 179.15 1xy0 h GLY 24 N 1.04 1.21 1.44 2.17 0.00 -1.26 0.35 103.07 108.02 1xy0 h GLY 24 Ca 0.28 -0.78 -0.19 0.00 0.00 0.00 0.00 47.33 46.64 1xy0 h GLY 24 CO -0.06 0.73 -0.68 -1.33 0.00 0.00 0.00 176.54 175.20 1xy0 h GLY 25 N 1.07 0.62 1.15 4.60 0.00 -1.33 -2.80 103.07 106.38 1xy0 h GLY 25 Ca 0.21 -0.82 -0.20 0.00 0.00 0.00 0.00 47.33 46.52 1xy0 h GLY 25 CO 0.01 0.73 -0.62 -2.09 0.00 0.00 0.00 176.54 174.57 1xy0 h GLU 26 N 0.40 0.85 0.33 4.80 4.81 -1.18 -1.76 114.58 122.84 1xy0 h GLU 26 Ca -0.02 -0.59 -0.02 0.00 -0.13 0.00 0.00 59.36 58.60 1xy0 h GLU 26 Cb 1.26 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1xy0 h GLU 26 CO 0.13 1.22 -0.16 0.00 -0.73 0.00 0.00 179.01 179.46 1xy0 h ALA 27 N 0.63 -0.45 -0.60 2.92 0.00 -0.96 -1.01 119.26 119.79 1xy0 h ALA 27 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xy0 h ALA 27 Cb 1.24 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1xy0 h ALA 27 CO 0.14 -0.72 0.22 1.25 0.00 0.00 0.00 179.25 180.14 1xy0 h LEU 28 N -0.52 0.80 -0.16 0.00 5.85 -1.58 -1.31 115.31 118.38 1xy0 h LEU 28 Ca -0.05 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 1xy0 h LEU 28 Cb 0.39 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1xy0 h LEU 28 CO 0.08 0.73 -0.26 1.23 -0.34 0.00 0.00 178.44 179.88 1xy0 h GLY 29 N 0.98 0.50 1.14 3.75 0.00 -1.21 -2.60 103.07 105.63 1xy0 h GLY 29 Ca 0.20 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1xy0 h GLY 29 CO -0.02 0.51 0.58 3.21 0.00 0.00 0.00 176.54 180.82 1xy0 h ARG 30 N 0.09 1.16 -0.16 4.80 3.08 -1.03 -1.80 114.38 120.53 1xy0 h ARG 30 Ca 0.01 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xy0 h ARG 30 Cb 0.83 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1xy0 h ARG 30 CO 0.06 0.77 -0.04 1.25 -1.07 0.00 0.00 179.97 180.94 1xy0 h LEU 31 N 1.19 -0.14 -1.95 3.04 5.85 -1.12 0.20 115.31 122.38 1xy0 h LEU 31 Ca 0.32 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1xy0 h LEU 31 Cb -0.13 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1xy0 h LEU 31 CO -0.07 -0.05 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.80 1xy0 h LEU 32 N 0.00 0.00 0.01 2.25 3.38 -0.95 -2.30 115.31 117.69 1xy0 h LEU 32 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1xy0 h LEU 32 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1xy0 h LEU 32 CO -0.16 0.11 -1.20 0.58 0.09 0.00 0.00 178.44 177.87 1xy0 h VAL 33 N 0.00 0.97 -0.19 1.22 2.07 -0.91 -3.30 116.25 116.11 1xy0 h VAL 33 Ca -0.00 -2.20 -0.12 0.00 0.82 0.00 0.00 66.70 65.20 1xy0 h VAL 33 Cb 0.29 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1xy0 h VAL 33 CO 0.01 0.35 -0.34 0.58 0.02 0.00 0.00 177.57 178.20 1xy0 h VAL 34 N -0.96 1.34 -2.57 2.57 2.07 -0.58 -3.35 116.25 114.77 1xy0 h VAL 34 Ca -0.33 -1.56 -0.63 0.00 0.82 0.00 0.00 66.70 65.00 1xy0 h VAL 34 Cb 1.31 1.88 -0.40 0.00 -1.52 0.00 0.00 31.29 32.56 1xy0 h VAL 34 CO -0.18 0.48 -0.42 -1.22 0.02 0.00 0.00 177.57 176.25 1xy0 n TYR 35 N -4.31 3.50 -0.48 1.57 4.01 -0.87 -4.98 117.16 115.60 1xy0 n TYR 35 Ca -0.06 -4.06 0.42 0.00 -0.16 0.00 0.00 57.90 54.05 1xy0 n TYR 35 Cb 0.50 -0.69 0.78 0.00 -0.31 0.00 0.00 39.34 39.61 1xy0 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1xy0 h PRO 36 N 4.74 0.01 0.00 -0.72 0.11 -1.70 0.29 132.00 134.73 1xy0 h PRO 36 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xy0 h PRO 36 Cb 0.69 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1xy0 h PRO 36 CO 0.86 0.01 0.00 0.11 -0.21 0.00 0.00 178.00 178.76 1xy0 h TRP 37 N 0.01 0.00 0.00 0.65 0.09 -1.91 -2.17 115.95 112.62 1xy0 h TRP 37 Ca 0.72 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.70 1xy0 h TRP 37 Cb 2.87 0.00 0.00 0.00 0.08 0.00 0.00 29.16 32.11 1xy0 h TRP 37 CO -0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1xy0 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.24 -2.68 112.91 110.46 1xy0 h THR 38 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1xy0 h THR 38 Cb 0.32 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1xy0 h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1xy0 n GLN 39 N -2.59 0.04 0.18 4.72 6.02 -0.82 -2.81 117.38 122.13 1xy0 n GLN 39 Ca 0.00 0.31 0.13 0.00 -0.01 0.00 0.00 57.00 57.44 1xy0 n GLN 39 Cb 0.19 -1.50 0.63 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.01 -1.09 0.11 -1.71 -2.64 114.38 109.04 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 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1xy0 h ARG 40 CO 0.00 0.00 -0.79 1.19 0.10 0.00 0.00 179.97 180.47 1xy0 n PHE 41 N -2.41 0.00 -2.30 4.08 3.01 -1.12 -4.56 117.46 114.16 1xy0 n PHE 41 Ca -0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.19 1xy0 n PHE 41 Cb 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.61 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 -0.94 3.18 -0.06 1.38 3.01 -1.00 -4.80 117.46 118.23 1xy0 n PHE 42 Ca 0.06 -2.80 -0.11 0.00 1.01 0.00 0.00 57.45 55.61 1xy0 n PHE 42 Cb 0.37 -0.21 0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1xy0 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xy0 h GLU 43 N 2.45 0.75 0.00 -1.08 4.39 -1.81 -2.98 114.58 116.30 1xy0 h GLU 43 Ca 0.33 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1xy0 h GLU 43 Cb 1.11 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1xy0 h GLU 43 CO 0.84 1.04 0.00 -1.13 -1.16 0.00 0.00 179.01 178.60 1xy0 n SER 44 N -4.02 0.00 0.08 1.42 3.41 -1.26 -2.77 113.62 110.48 1xy0 n SER 44 Ca -0.02 0.08 -0.04 0.00 -0.26 0.00 0.00 58.87 58.63 1xy0 n SER 44 Cb 0.56 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1xy0 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1xy0 h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.90 -3.50 116.94 118.92 1xy0 h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1xy0 h PHE 45 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.09 1xy0 h PHE 45 CO 0.00 0.85 0.00 0.41 -0.18 0.00 0.00 178.31 179.39 1xy0 n GLY 46 N 1.30 0.11 3.56 -1.45 0.00 -1.11 -4.85 105.19 102.76 1xy0 n GLY 46 Ca 0.01 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 6.49 -0.07 1.61 3.68 -1.26 -4.82 116.67 118.29 1xy0 s ASP 47 Ca 0.00 0.08 0.10 0.00 2.13 0.00 0.00 52.55 54.86 1xy0 s ASP 47 Cb 0.00 -2.46 0.15 0.00 -1.45 0.00 0.00 42.92 39.16 1xy0 s ASP 47 CO 0.00 -1.12 1.04 0.18 0.13 0.00 0.00 175.17 175.40 1xy0 n LEU 48 N 7.34 1.70 0.25 -1.34 4.77 -1.26 -4.21 117.00 124.25 1xy0 n LEU 48 Ca 0.06 -2.26 0.13 0.00 -0.03 0.00 0.00 56.01 53.91 1xy0 n LEU 48 Cb 0.48 -0.23 0.77 0.00 -2.33 0.00 0.00 43.42 42.12 1xy0 n LEU 48 CO 0.65 0.53 1.11 0.28 -1.33 0.00 0.00 177.39 178.63 1xy0 h SER 49 N 0.00 0.00 -5.15 -1.43 0.02 -1.91 -3.45 113.55 101.64 1xy0 h SER 49 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1xy0 h SER 49 Cb 0.95 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.33 1xy0 h SER 49 CO 0.00 0.00 -0.54 0.42 -1.14 0.00 0.00 176.83 175.57 1xy0 s THR 50 N -4.85 0.16 0.17 -2.27 -4.23 -1.26 -5.01 115.64 98.35 1xy0 s THR 50 Ca -0.05 -1.33 -0.20 0.00 -1.18 0.00 0.00 61.69 58.93 1xy0 s THR 50 Cb 0.16 -1.19 0.10 0.00 1.34 0.00 0.00 72.50 72.91 1xy0 s THR 50 CO 0.61 -0.74 1.62 -0.65 -0.54 0.00 0.00 174.62 174.93 1xy0 h PRO 51 N 3.29 -0.16 -0.70 3.99 0.11 -1.98 0.23 132.00 136.77 1xy0 h PRO 51 Ca -0.33 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.90 1xy0 h PRO 51 Cb 1.18 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1xy0 h PRO 51 CO 0.57 -0.11 0.31 -0.44 -0.21 0.00 0.00 178.00 178.12 1xy0 h ASP 52 N -0.16 0.35 0.45 -2.05 3.32 -1.97 0.73 116.42 117.09 1xy0 h ASP 52 Ca 0.20 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 1xy0 h ASP 52 Cb 0.47 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1xy0 h ASP 52 CO -0.52 0.18 -0.37 0.00 -1.72 0.00 0.00 179.24 176.81 1xy0 h ALA 53 N 1.47 1.29 0.00 3.45 0.00 -1.29 -1.82 119.26 122.37 1xy0 h ALA 53 Ca 0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xy0 h ALA 53 Cb 0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xy0 h ALA 53 CO -0.32 0.47 -0.04 0.28 0.00 0.00 0.00 179.25 179.63 1xy0 h VAL 54 N 0.00 1.02 -0.52 0.00 2.07 0.13 -2.64 116.25 116.31 1xy0 h VAL 54 Ca -0.00 -1.78 0.12 0.00 0.82 0.00 0.00 66.70 65.86 1xy0 h VAL 54 Cb 0.70 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1xy0 h VAL 54 CO 0.05 0.35 0.36 0.24 0.02 0.00 0.00 177.57 178.59 1xy0 h MET 55 N -1.00 0.17 0.03 1.57 2.86 -1.00 -1.86 114.93 115.70 1xy0 h MET 55 Ca -0.01 -0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 57.37 1xy0 h MET 55 Cb 0.60 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1xy0 h MET 55 CO -0.01 0.12 -1.31 0.78 1.06 0.00 0.00 176.91 177.55 1xy0 h GLY 56 N 0.18 0.08 -6.25 8.32 0.00 -1.43 -3.46 103.07 100.51 1xy0 h GLY 56 Ca 0.25 -0.20 -0.62 0.00 0.00 0.00 0.00 47.33 46.76 1xy0 h GLY 56 CO -0.04 0.18 1.26 -2.01 0.00 0.00 0.00 176.54 175.93 1xy0 n ASN 57 N -3.30 3.20 0.25 0.19 2.85 -0.70 -4.82 115.26 112.93 1xy0 n ASN 57 Ca -0.08 0.68 0.14 0.00 -0.11 0.00 0.00 54.58 55.21 1xy0 n ASN 57 Cb 1.00 -1.40 0.61 0.00 1.24 0.00 0.00 39.78 41.22 1xy0 n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xy0 h PRO 58 N 11.29 0.00 -0.15 1.20 0.13 -1.89 -1.42 132.00 141.16 1xy0 h PRO 58 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 1xy0 h PRO 58 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1xy0 h PRO 58 CO 0.97 0.11 -0.47 0.87 -0.23 0.00 0.00 178.00 179.24 1xy0 h LYS 59 N 0.00 0.37 0.03 0.86 1.57 -1.88 -0.65 116.57 116.87 1xy0 h LYS 59 Ca -0.00 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1xy0 h LYS 59 Cb 0.58 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xy0 h LYS 59 CO 0.01 0.76 -0.02 0.28 -0.57 0.00 0.00 179.45 179.92 1xy0 h VAL 60 N 0.30 1.38 -0.62 0.50 2.07 -1.75 -1.72 116.25 116.39 1xy0 h VAL 60 Ca 0.02 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1xy0 h VAL 60 Cb 0.94 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 1xy0 h VAL 60 CO 0.08 0.35 0.33 0.11 0.02 0.00 0.00 177.57 178.46 1xy0 h LYS 61 N -0.67 0.59 -0.06 1.57 6.56 -1.22 0.26 116.57 123.59 1xy0 h LYS 61 Ca -0.00 -0.04 -0.16 0.00 -1.06 0.00 0.00 60.65 59.39 1xy0 h LYS 61 Cb 0.61 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 1xy0 h LYS 61 CO 0.01 0.39 -0.67 0.00 -2.06 0.00 0.00 179.45 177.11 1xy0 h ALA 62 N 1.34 0.74 -0.20 3.86 0.00 -1.17 -2.65 119.26 121.18 1xy0 h ALA 62 Ca 0.28 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1xy0 h ALA 62 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xy0 h ALA 62 CO -0.19 0.77 -0.51 1.25 0.00 0.00 0.00 179.25 180.57 1xy0 h HIS 63 N 0.18 0.68 -0.91 0.00 -0.00 -0.62 -2.94 115.15 111.54 1xy0 h HIS 63 Ca -0.02 -0.23 0.02 0.00 -0.00 0.00 0.00 60.37 60.14 1xy0 h HIS 63 Cb 1.21 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 28.44 1xy0 h HIS 63 CO 0.03 0.95 0.60 0.78 -0.00 0.00 0.00 177.93 180.28 1xy0 h GLY 64 N 1.07 1.30 1.80 5.26 0.00 -0.78 -1.00 103.07 110.72 1xy0 h GLY 64 Ca 0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1xy0 h GLY 64 CO 0.10 0.43 -0.56 1.70 0.00 0.00 0.00 176.54 178.21 1xy0 h LYS 65 N 1.20 0.21 -0.27 4.80 3.64 -1.43 -0.89 116.57 123.83 1xy0 h LYS 65 Ca 0.35 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.42 1xy0 h LYS 65 Cb -0.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xy0 h LYS 65 CO -0.09 0.71 -0.51 -0.22 -2.27 0.00 0.00 179.45 177.07 1xy0 h LYS 66 N 0.16 0.82 0.08 1.90 3.64 -1.26 -0.74 116.57 121.18 1xy0 h LYS 66 Ca -0.00 -0.52 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1xy0 h LYS 66 Cb 1.03 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1xy0 h LYS 66 CO 0.08 1.15 -0.04 0.28 -2.27 0.00 0.00 179.45 178.66 1xy0 h VAL 67 N 0.59 1.15 0.00 2.00 2.07 -1.13 -2.63 116.25 118.29 1xy0 h VAL 67 Ca 0.01 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1xy0 h VAL 67 Cb 1.11 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1xy0 h VAL 67 CO 0.11 0.20 -0.15 -0.07 0.02 0.00 0.00 177.57 177.68 1xy0 h LEU 68 N -0.48 0.00 0.86 2.57 -0.00 -1.20 -1.59 115.31 115.47 1xy0 h LEU 68 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1xy0 h LEU 68 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1xy0 h LEU 68 CO 0.02 0.15 -0.41 1.23 -0.00 0.00 0.00 178.44 179.43 1xy0 h GLY 69 N 1.38 -1.20 0.41 0.83 0.00 -1.04 0.53 103.07 103.99 1xy0 h GLY 69 Ca -0.00 0.44 0.11 0.00 0.00 0.00 0.00 47.33 47.88 1xy0 h GLY 69 CO 0.02 -0.44 0.37 0.00 0.00 0.00 0.00 176.54 176.49 1xy0 h ALA 70 N -1.44 1.05 0.18 3.60 0.00 -1.28 -0.60 119.26 120.77 1xy0 h ALA 70 Ca -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xy0 h ALA 70 Cb 0.88 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xy0 h ALA 70 CO 0.19 -0.06 -0.11 0.35 0.00 0.00 0.00 179.25 179.63 1xy0 h PHE 71 N 0.61 -0.28 -0.70 0.00 3.57 -1.10 -2.58 116.94 116.46 1xy0 h PHE 71 Ca 0.38 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.01 1xy0 h PHE 71 Cb 0.43 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.17 1xy0 h PHE 71 CO -0.11 -0.17 0.20 1.03 -2.23 0.00 0.00 178.31 177.03 1xy0 h SER 72 N -0.28 0.09 0.34 0.41 0.87 0.13 0.14 113.55 115.26 1xy0 h SER 72 Ca -0.02 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1xy0 h SER 72 Cb 0.23 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1xy0 h SER 72 CO 0.02 0.02 -0.18 0.44 -0.53 0.00 0.00 176.83 176.60 1xy0 h ASP 73 N 0.32 0.00 0.89 6.23 3.32 -0.97 -2.69 116.42 123.51 1xy0 h ASP 73 Ca 0.39 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 1xy0 h ASP 73 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1xy0 h ASP 73 CO -0.45 0.18 -0.31 1.23 -1.72 0.00 0.00 179.24 178.17 1xy0 h GLY 74 N 0.86 0.00 1.39 2.75 0.00 -0.32 -3.06 103.07 104.69 1xy0 h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xy0 h GLY 74 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1xy0 n LEU 75 N -3.47 0.00 -0.17 3.11 4.77 -1.01 -1.39 117.00 118.84 1xy0 n LEU 75 Ca -0.00 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1xy0 n LEU 75 Cb 0.48 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1xy0 n LEU 75 CO 0.35 -0.07 0.17 0.00 -1.33 0.00 0.00 177.39 176.51 1xy0 n ALA 76 N -1.20 4.14 -2.56 -1.18 0.00 -1.16 -4.22 120.51 114.33 1xy0 n ALA 76 Ca 0.11 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 1xy0 n ALA 76 Cb 0.13 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.99 1.88 0.19 0.00 8.25 -0.48 -4.89 115.22 119.18 1xy0 n HIS 77 Ca 0.06 -2.49 0.12 0.00 -0.26 0.00 0.00 57.72 55.16 1xy0 n HIS 77 Cb 0.37 -0.27 0.66 0.00 1.12 0.00 0.00 29.99 31.88 1xy0 n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xy0 h LEU 78 N 2.62 0.00 -0.95 2.41 5.85 -1.72 0.20 115.31 123.71 1xy0 h LEU 78 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1xy0 h LEU 78 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1xy0 h LEU 78 CO 0.49 0.00 -0.35 0.47 -0.34 0.00 0.00 178.44 178.72 1xy0 n ASP 79 N -2.37 1.83 -2.75 1.25 10.43 -1.26 -1.73 116.55 121.94 1xy0 n ASP 79 Ca -0.02 -1.40 -0.09 0.00 2.57 0.00 0.00 54.79 55.86 1xy0 n ASP 79 Cb 0.08 0.31 0.08 0.00 1.84 0.00 0.00 41.12 43.43 1xy0 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xy0 n ASN 80 N -0.05 -2.31 0.04 -2.24 5.15 0.65 -4.93 115.26 111.57 1xy0 n ASN 80 Ca 0.11 -3.61 -0.00 0.00 -0.60 0.00 0.00 54.58 50.47 1xy0 n ASN 80 Cb 0.44 1.82 0.29 0.00 -0.53 0.00 0.00 39.78 41.80 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 3.17 0.40 0.26 1.20 3.38 -1.69 -1.36 115.31 120.67 1xy0 h LEU 81 Ca -0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1xy0 h LEU 81 Cb 1.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1xy0 h LEU 81 CO 0.18 0.56 -0.13 0.11 0.09 0.00 0.00 178.44 179.25 1xy0 h LYS 82 N 0.39 -0.34 0.00 1.13 1.57 -1.90 -0.05 116.57 117.37 1xy0 h LYS 82 Ca 0.08 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1xy0 h LYS 82 Cb 0.45 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xy0 h LYS 82 CO 0.03 -0.21 -0.37 0.78 -0.57 0.00 0.00 179.45 179.10 1xy0 h GLY 83 N -0.37 0.00 1.38 3.86 0.00 -1.92 -2.42 103.07 103.60 1xy0 h GLY 83 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 1xy0 h GLY 83 CO 0.06 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.36 1xy0 h THR 84 N 0.00 1.29 -0.49 4.70 2.02 -0.85 -3.29 112.91 116.30 1xy0 h THR 84 Ca -0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1xy0 h THR 84 Cb 0.90 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1xy0 h THR 84 CO 0.05 0.51 0.00 0.49 0.37 0.00 0.00 175.52 176.94 1xy0 n PHE 85 N -4.03 1.02 -0.09 3.16 3.01 -0.07 -4.72 117.46 115.74 1xy0 n PHE 85 Ca -0.02 -0.62 -0.06 0.00 1.01 0.00 0.00 57.45 57.76 1xy0 n PHE 85 Cb 0.53 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 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 3.01 0.28 -0.11 4.37 0.00 -1.50 0.60 119.26 125.91 1xy0 h ALA 86 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1xy0 h ALA 86 Cb 1.19 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1xy0 h ALA 86 CO 0.14 -0.41 -0.64 1.15 0.00 0.00 0.00 179.25 179.49 1xy0 h THR 87 N 0.09 1.36 -0.28 0.00 2.02 -1.86 -1.35 112.91 112.90 1xy0 h THR 87 Ca 0.15 -1.99 -0.12 0.00 0.77 0.00 0.00 66.41 65.22 1xy0 h THR 87 Cb 0.20 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1xy0 h THR 87 CO -0.26 0.60 -0.32 0.25 0.37 0.00 0.00 175.52 176.16 1xy0 h LEU 88 N 0.30 0.61 -0.43 2.58 5.85 -1.83 -1.73 115.31 120.66 1xy0 h LEU 88 Ca -0.01 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 1xy0 h LEU 88 Cb 1.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1xy0 h LEU 88 CO 0.11 0.89 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.68 1xy0 h SER 89 N 0.50 0.87 -0.26 1.25 0.87 0.47 -2.06 113.55 115.20 1xy0 h SER 89 Ca 0.06 -0.38 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 1xy0 h SER 89 Cb 0.80 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1xy0 h SER 89 CO 0.07 1.05 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.87 1xy0 h GLU 90 N 0.68 0.73 -0.43 2.24 5.08 -1.13 -2.97 114.58 118.77 1xy0 h GLU 90 Ca 0.10 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1xy0 h GLU 90 Cb 0.69 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1xy0 h GLU 90 CO 0.05 0.89 0.09 1.25 -1.00 0.00 0.00 179.01 180.29 1xy0 h LEU 91 N 0.64 0.67 -1.25 1.33 5.85 -1.18 -0.69 115.31 120.68 1xy0 h LEU 91 Ca 0.09 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1xy0 h LEU 91 Cb 0.72 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1xy0 h LEU 91 CO 0.06 0.75 -0.24 0.45 -0.34 0.00 0.00 178.44 179.11 1xy0 h HIS 92 N 0.57 0.23 0.01 1.25 3.86 -1.37 0.96 115.15 120.66 1xy0 h HIS 92 Ca 0.13 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1xy0 h HIS 92 Cb 0.35 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1xy0 h HIS 92 CO 0.02 0.44 -0.01 0.00 0.86 0.00 0.00 177.93 179.25 1xy0 h ASP 94 N -0.11 0.00 0.00 0.00 3.32 -1.23 -2.75 116.42 115.66 1xy0 h ASP 94 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1xy0 h ASP 94 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1xy0 h ASP 94 CO 0.00 0.41 -1.60 0.29 -1.72 0.00 0.00 179.24 176.63 1xy0 n LYS 95 N -3.89 0.25 0.07 3.56 4.01 0.18 -4.77 118.16 117.57 1xy0 n LYS 95 Ca -0.01 0.08 0.12 0.00 -0.51 0.00 0.00 58.31 57.98 1xy0 n LYS 95 Cb 0.46 -1.07 0.07 0.00 -0.51 0.00 0.00 35.03 33.97 1xy0 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1xy0 n LEU 96 N -3.09 0.74 -3.81 -0.35 4.77 -0.33 -4.99 117.00 109.95 1xy0 n LEU 96 Ca -0.20 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 1xy0 n LEU 96 Cb 0.68 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1xy0 n LEU 96 CO 0.06 -0.10 -0.15 1.41 -1.33 0.00 0.00 177.39 177.29 1xy0 n HIS 97 N -2.34 -1.79 -3.66 -1.77 8.25 0.32 -4.94 115.22 109.30 1xy0 n HIS 97 Ca 0.02 0.77 -0.37 0.00 -0.26 0.00 0.00 57.72 57.88 1xy0 n HIS 97 Cb 0.49 -4.04 -0.10 0.00 1.12 0.00 0.00 29.99 27.47 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 -3.79 5.33 0.04 1.59 1.01 -0.13 -5.02 120.40 119.43 1xy0 s VAL 98 Ca 0.03 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1xy0 s VAL 98 Cb -0.01 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1xy0 s VAL 98 CO 0.85 0.34 1.43 -0.62 0.00 0.00 0.00 175.10 177.09 1xy0 s ASP 99 N 1.13 6.82 0.32 3.32 3.68 -1.26 -4.70 116.67 125.98 1xy0 s ASP 99 Ca 0.07 2.21 0.17 0.00 2.13 0.00 0.00 52.55 57.13 1xy0 s ASP 99 Cb -0.14 -2.57 0.91 0.00 -1.45 0.00 0.00 42.92 39.67 1xy0 s ASP 99 CO 0.05 -0.72 1.45 -2.65 0.13 0.00 0.00 175.17 173.43 1xy0 n PRO 100 N 5.03 0.11 0.10 4.34 -0.02 -1.26 -1.23 135.00 142.08 1xy0 n PRO 100 Ca 0.13 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 62.24 1xy0 n PRO 100 Cb 0.43 -2.04 0.43 0.00 -0.02 0.00 0.00 33.50 32.30 1xy0 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xy0 h GLU 101 N 0.00 0.30 -0.33 -0.52 4.57 -1.98 -0.95 114.58 115.66 1xy0 h GLU 101 Ca 0.00 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1xy0 h GLU 101 Cb 0.35 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1xy0 h GLU 101 CO 0.00 0.33 0.23 -0.91 -1.18 0.00 0.00 179.01 177.48 1xy0 h ASN 102 N 0.29 0.25 -0.51 1.04 4.21 -1.55 -0.78 115.58 118.53 1xy0 h ASN 102 Ca 0.07 -0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.51 1xy0 h ASN 102 Cb 0.21 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.33 1xy0 h ASN 102 CO 0.01 0.17 0.09 -0.26 -1.29 0.00 0.00 177.43 176.15 1xy0 h PHE 103 N 0.29 0.94 -0.24 1.19 0.04 -1.35 -1.12 116.94 116.70 1xy0 h PHE 103 Ca 0.14 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 1xy0 h PHE 103 Cb 0.20 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1xy0 h PHE 103 CO -0.00 0.81 -0.34 0.00 -0.60 0.00 0.00 178.31 178.18 1xy0 h ARG 104 N 0.85 0.65 -0.38 1.51 3.08 -1.17 -1.97 114.38 116.96 1xy0 h ARG 104 Ca 0.18 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1xy0 h ARG 104 Cb 0.38 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1xy0 h ARG 104 CO 0.01 0.99 0.25 -0.07 -1.07 0.00 0.00 179.97 180.08 1xy0 h LEU 105 N 0.36 0.43 -0.52 3.04 3.38 -0.92 -1.54 115.31 119.54 1xy0 h LEU 105 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xy0 h LEU 105 Cb 0.92 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1xy0 h LEU 105 CO 0.08 0.31 0.27 0.25 0.09 0.00 0.00 178.44 179.44 1xy0 h LEU 106 N 0.51 0.66 -0.46 1.67 5.85 -1.18 -0.02 115.31 122.34 1xy0 h LEU 106 Ca 0.14 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1xy0 h LEU 106 Cb -0.06 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 1xy0 h LEU 106 CO -0.03 0.58 -0.03 1.23 -0.34 0.00 0.00 178.44 179.86 1xy0 h GLY 107 N 0.69 0.44 0.98 3.75 0.00 -1.03 1.18 103.07 109.07 1xy0 h GLY 107 Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1xy0 h GLY 107 CO -0.03 -0.14 0.20 3.43 0.00 0.00 0.00 176.54 180.01 1xy0 h ASN 108 N 0.08 0.76 -0.37 0.19 2.35 -0.70 -0.82 115.58 117.08 1xy0 h ASN 108 Ca 0.23 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1xy0 h ASN 108 Cb 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1xy0 h ASN 108 CO -0.40 0.73 0.24 0.58 -1.65 0.00 0.00 177.43 176.93 1xy0 h VAL 109 N 0.74 1.09 -0.48 2.81 2.07 0.93 -2.42 116.25 120.98 1xy0 h VAL 109 Ca 0.18 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1xy0 h VAL 109 Cb 0.22 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 1xy0 h VAL 109 CO -0.01 0.09 -0.14 0.25 0.02 0.00 0.00 177.57 177.78 1xy0 h LEU 110 N 0.49 -0.51 -1.53 2.57 5.85 0.18 0.00 115.31 122.37 1xy0 h LEU 110 Ca 0.14 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1xy0 h LEU 110 Cb -0.05 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1xy0 h LEU 110 CO -0.03 -0.18 0.14 0.58 -0.34 0.00 0.00 178.44 178.61 1xy0 h VAL 111 N -0.03 1.13 -0.16 1.05 2.07 -0.85 -1.55 116.25 117.91 1xy0 h VAL 111 Ca 0.23 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 1xy0 h VAL 111 Cb 0.38 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xy0 h VAL 111 CO -0.50 0.15 -0.58 0.00 0.02 0.00 0.00 177.57 176.65 1xy0 h VAL 113 N 0.39 1.22 -0.88 0.00 2.07 -0.36 -1.28 116.25 117.41 1xy0 h VAL 113 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1xy0 h VAL 113 Cb 1.13 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1xy0 h VAL 113 CO 0.11 0.25 0.57 -0.07 0.02 0.00 0.00 177.57 178.45 1xy0 h LEU 114 N 0.41 1.03 -0.52 2.57 3.38 -1.27 -0.01 115.31 120.90 1xy0 h LEU 114 Ca 0.11 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1xy0 h LEU 114 Cb 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xy0 h LEU 114 CO 0.00 0.76 -0.35 0.00 0.09 0.00 0.00 178.44 178.94 1xy0 h ALA 115 N 1.42 0.70 -0.42 1.53 0.00 -1.25 0.69 119.26 121.93 1xy0 h ALA 115 Ca 0.32 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xy0 h ALA 115 Cb -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1xy0 h ALA 115 CO -0.07 0.66 0.26 1.25 0.00 0.00 0.00 179.25 181.36 1xy0 h HIS 116 N 0.68 0.49 -0.03 0.00 -0.00 -0.57 -1.36 115.15 114.36 1xy0 h HIS 116 Ca 0.07 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1xy0 h HIS 116 Cb 0.91 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1xy0 h HIS 116 CO 0.05 0.29 -0.07 0.45 -0.00 0.00 0.00 177.93 178.66 1xy0 h HIS 117 N 0.53 0.12 -0.09 5.26 -0.00 -0.90 -3.36 115.15 116.70 1xy0 h HIS 117 Ca 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1xy0 h HIS 117 Cb -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1xy0 h HIS 117 CO -0.06 0.67 0.00 1.19 -0.00 0.00 0.00 177.93 179.73 1xy0 n PHE 118 N -4.71 0.10 0.00 2.45 3.01 0.22 -5.01 117.46 113.52 1xy0 n PHE 118 Ca -0.08 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1xy0 n PHE 118 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 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 1.32 1.54 0.32 1.37 0.00 -0.52 -0.06 105.19 109.17 1xy0 n GLY 119 Ca 0.16 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.52 1xy0 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xy0 h LYS 120 N 0.00 -0.01 -0.16 1.61 2.10 -1.95 -1.20 116.57 116.96 1xy0 h LYS 120 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 1xy0 h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1xy0 h LYS 120 CO 0.00 -0.01 0.16 1.49 -2.00 0.00 0.00 179.45 179.09 1xy0 h GLU 121 N -0.01 0.00 -3.62 0.07 4.81 -0.88 -3.28 114.58 111.68 1xy0 h GLU 121 Ca 0.40 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.88 1xy0 h GLU 121 Cb 0.63 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.85 1xy0 h GLU 121 CO -0.89 0.00 1.88 0.34 -0.73 0.00 0.00 179.01 179.61 1xy0 n PHE 122 N -3.96 3.15 -1.45 0.92 7.35 -0.45 -4.93 117.46 118.08 1xy0 n PHE 122 Ca 0.01 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.55 1xy0 n PHE 122 Cb 0.28 -1.94 0.09 0.00 0.35 0.00 0.00 39.48 38.26 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 0.35 3.31 0.21 -2.13 -4.23 -1.24 -4.71 115.64 107.20 1xy0 s THR 123 Ca 0.39 0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 61.21 1xy0 s THR 123 Cb 0.08 -3.08 0.19 0.00 1.34 0.00 0.00 72.50 71.02 1xy0 s THR 123 CO 0.01 -0.56 1.66 -0.65 -0.54 0.00 0.00 174.62 174.54 1xy0 h PRO 124 N -1.07 0.09 -0.38 3.99 0.11 -1.94 0.57 132.00 133.37 1xy0 h PRO 124 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1xy0 h PRO 124 Cb 1.25 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1xy0 h PRO 124 CO 0.56 0.06 0.05 -1.35 -0.21 0.00 0.00 178.00 177.11 1xy0 h PRO 125 N 0.10 0.58 -0.10 1.05 0.11 -2.00 -0.90 132.00 130.85 1xy0 h PRO 125 Ca 0.30 -0.11 -0.22 0.00 0.11 0.00 0.00 66.00 66.08 1xy0 h PRO 125 Cb 0.48 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.51 1xy0 h PRO 125 CO -0.52 0.57 -0.82 0.28 -0.21 0.00 0.00 178.00 177.30 1xy0 h VAL 126 N 0.56 1.32 -0.66 3.15 2.07 -0.80 -2.96 116.25 118.93 1xy0 h VAL 126 Ca 0.12 -2.11 0.03 0.00 0.82 0.00 0.00 66.70 65.57 1xy0 h VAL 126 Cb 0.29 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1xy0 h VAL 126 CO 0.00 0.65 0.41 -0.61 0.02 0.00 0.00 177.57 178.04 1xy0 h GLN 127 N 0.41 0.77 -0.72 1.57 4.15 0.37 -2.21 115.11 119.46 1xy0 h GLN 127 Ca -0.06 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.41 1xy0 h GLN 127 Cb 1.44 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 28.88 1xy0 h GLN 127 CO 0.16 0.51 0.36 0.00 -1.93 0.00 0.00 178.83 177.93 1xy0 h ALA 128 N 1.29 0.99 -0.23 3.38 0.00 -1.14 0.12 119.26 123.67 1xy0 h ALA 128 Ca 0.27 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 1xy0 h ALA 128 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xy0 h ALA 128 CO -0.11 -0.04 -0.36 0.00 0.00 0.00 0.00 179.25 178.74 1xy0 h ALA 129 N 1.43 0.95 -0.04 0.00 0.00 -1.32 -2.09 119.26 118.19 1xy0 h ALA 129 Ca 0.35 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1xy0 h ALA 129 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xy0 h ALA 129 CO -0.27 0.62 -0.65 1.88 0.00 0.00 0.00 179.25 180.83 1xy0 h TYR 130 N 0.42 0.23 -0.72 0.00 0.05 -0.64 -2.31 116.97 114.01 1xy0 h TYR 130 Ca 0.04 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 1xy0 h TYR 130 Cb 0.83 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 1xy0 h TYR 130 CO 0.03 0.77 0.26 1.96 -1.05 0.00 0.00 178.16 180.12 1xy0 h GLN 131 N 0.12 1.09 -0.24 4.88 1.08 -0.60 0.26 115.11 121.70 1xy0 h GLN 131 Ca -0.01 -0.22 -0.08 0.00 -1.45 0.00 0.00 58.65 56.90 1xy0 h GLN 131 Cb 1.16 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 1xy0 h GLN 131 CO 0.10 0.92 -0.19 0.87 -0.95 0.00 0.00 178.83 179.58 1xy0 h LYS 132 N 1.04 0.41 -0.04 1.46 1.57 -1.11 -1.58 116.57 118.33 1xy0 h LYS 132 Ca 0.23 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1xy0 h LYS 132 Cb 0.26 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1xy0 h LYS 132 CO -0.01 0.59 -0.34 0.28 -0.57 0.00 0.00 179.45 179.40 1xy0 h VAL 133 N 0.38 1.46 -1.00 0.50 2.07 -0.71 -1.80 116.25 117.14 1xy0 h VAL 133 Ca 0.07 -1.84 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1xy0 h VAL 133 Cb 0.55 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 1xy0 h VAL 133 CO 0.04 0.52 0.66 -0.37 0.02 0.00 0.00 177.57 178.44 1xy0 h VAL 134 N -0.26 1.24 -0.34 2.57 -1.51 -0.49 0.31 116.25 117.78 1xy0 h VAL 134 Ca -0.03 -0.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 1xy0 h VAL 134 Cb 1.03 -0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 1xy0 h VAL 134 CO 0.07 0.25 0.17 0.00 -1.23 0.00 0.00 177.57 176.82 1xy0 h ALA 135 N 1.37 0.44 -0.32 5.19 0.00 -1.31 -1.53 119.26 123.11 1xy0 h ALA 135 Ca 0.37 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1xy0 h ALA 135 Cb -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1xy0 h ALA 135 CO -0.09 -0.01 0.04 0.78 0.00 0.00 0.00 179.25 179.97 1xy0 h GLY 136 N 0.42 0.34 0.95 0.00 0.00 -0.65 0.18 103.07 104.31 1xy0 h GLY 136 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1xy0 h GLY 136 CO -0.02 -0.04 0.18 -2.08 0.00 0.00 0.00 176.54 174.59 1xy0 h VAL 137 N 0.14 1.18 -0.66 4.60 2.07 -0.17 -1.00 116.25 122.41 1xy0 h VAL 137 Ca 0.15 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1xy0 h VAL 137 Cb 0.18 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1xy0 h VAL 137 CO -0.22 0.19 0.40 0.00 0.02 0.00 0.00 177.57 177.96 1xy0 h ALA 138 N 1.03 0.87 -0.31 1.67 0.00 -0.90 0.12 119.26 121.73 1xy0 h ALA 138 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xy0 h ALA 138 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xy0 h ALA 138 CO -0.02 0.13 0.19 -0.91 0.00 0.00 0.00 179.25 178.64 1xy0 h ASN 139 N 0.76 0.37 -0.50 0.00 2.35 -0.70 -1.73 115.58 116.12 1xy0 h ASN 139 Ca 0.27 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1xy0 h ASN 139 Cb 0.07 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1xy0 h ASN 139 CO -0.13 0.30 0.26 0.00 -1.65 0.00 0.00 177.43 176.21 1xy0 h ALA 140 N 1.08 0.64 0.00 -0.83 0.00 -0.68 -1.92 119.26 117.55 1xy0 h ALA 140 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xy0 h ALA 140 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xy0 h ALA 140 CO -0.02 0.19 -0.17 -0.07 0.00 0.00 0.00 179.25 179.18 1xy0 h LEU 141 N 0.67 0.00 0.00 0.00 3.38 -0.46 -2.85 115.31 116.04 1xy0 h LEU 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xy0 h LEU 141 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xy0 h LEU 141 CO -0.02 0.17 -0.59 0.00 0.09 0.00 0.00 178.44 178.08 1xy0 h ALA 142 N 1.83 0.66 -0.83 1.53 0.00 -0.86 -3.40 119.26 118.20 1xy0 h ALA 142 Ca -0.00 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.11 1xy0 h ALA 142 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 1xy0 h ALA 142 CO 0.02 0.00 0.07 1.25 0.00 0.00 0.00 179.25 180.59 1xy0 h HIS 143 N 0.00 0.05 -0.37 0.00 6.17 -1.11 -2.17 115.15 117.71 1xy0 h HIS 143 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1xy0 h HIS 143 Cb 0.86 0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.90 1xy0 h HIS 143 CO 0.00 -0.26 0.00 1.63 0.71 0.00 0.00 177.93 180.01 1xy0 n LYS 144 N -5.34 2.50 -2.48 5.26 4.76 -1.26 -4.92 118.16 116.68 1xy0 n LYS 144 Ca 0.17 -1.61 -0.41 0.00 -2.87 0.00 0.00 58.31 53.60 1xy0 n LYS 144 Cb 0.57 -1.59 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 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 -1.68 3.57 0.00 2.13 2.02 -0.82 -4.79 117.35 117.78 1xy0 s TYR 145 Ca 0.29 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.62 1xy0 s TYR 145 Cb 0.18 -3.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1xy0 s TYR 145 CO 0.14 -0.65 0.00 -2.39 -1.57 0.00 0.00 175.55 171.08