#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d17 s LEU 2 N 0.00 3.44 0.83 7.52 1.43 -1.26 -5.08 118.68 125.56 3d17 s LEU 2 Ca 0.00 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 3d17 s LEU 2 Cb 0.00 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.33 3d17 s LEU 2 CO 0.00 -0.35 1.20 -1.54 0.23 0.00 0.00 176.35 175.89 3d17 n SER 3 N -1.28 0.90 0.28 2.29 3.41 -1.26 -4.75 113.62 113.21 3d17 n SER 3 Ca -0.02 0.55 0.18 0.00 -0.26 0.00 0.00 58.87 59.32 3d17 n SER 3 Cb 0.61 -1.51 0.96 0.00 -0.26 0.00 0.00 64.21 64.01 3d17 n SER 3 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3d17 h PRO 4 N -1.13 0.00 0.35 4.33 0.11 -1.99 -0.02 132.00 133.65 3d17 h PRO 4 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3d17 h PRO 4 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3d17 h PRO 4 CO 0.45 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.07 3d17 h ALA 5 N 1.88 -0.46 -0.94 -0.75 0.00 -2.00 -1.94 119.26 115.05 3d17 h ALA 5 Ca 0.03 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.91 3d17 h ALA 5 Cb 0.20 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3d17 h ALA 5 CO -0.00 -0.56 0.60 -0.44 0.00 0.00 0.00 179.25 178.84 3d17 h ASP 6 N -0.86 0.69 0.41 0.00 3.32 -1.36 0.06 116.42 118.68 3d17 h ASP 6 Ca -0.05 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3d17 h ASP 6 Cb 0.53 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3d17 h ASP 6 CO 0.08 0.32 -0.20 0.11 -1.72 0.00 0.00 179.24 177.83 3d17 h LYS 7 N 0.72 -0.53 -0.46 3.56 1.57 -1.21 -0.26 116.57 119.95 3d17 h LYS 7 Ca 0.49 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.40 3d17 h LYS 7 Cb 0.80 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.13 3d17 h LYS 7 CO -0.25 -0.27 -0.21 1.15 -0.57 0.00 0.00 179.45 179.30 3d17 h THR 8 N -0.72 0.37 -0.73 -0.16 2.02 -0.47 0.47 112.91 113.68 3d17 h THR 8 Ca -0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3d17 h THR 8 Cb 0.51 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3d17 h THR 8 CO 0.09 0.00 0.45 0.78 0.37 0.00 0.00 175.52 177.21 3d17 h ASN 9 N -0.11 0.71 0.57 4.18 4.21 -0.92 0.22 115.58 124.44 3d17 h ASN 9 Ca 0.22 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.71 3d17 h ASN 9 Cb 0.46 -0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.52 3d17 h ASN 9 CO -0.54 0.48 -0.28 0.58 -1.29 0.00 0.00 177.43 176.39 3d17 h VAL 10 N 0.85 0.27 -0.90 2.81 2.07 0.30 0.48 116.25 122.13 3d17 h VAL 10 Ca 0.31 -0.36 0.17 0.00 0.82 0.00 0.00 66.70 67.64 3d17 h VAL 10 Cb 0.09 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 3d17 h VAL 10 CO -0.14 0.04 0.58 0.11 0.02 0.00 0.00 177.57 178.18 3d17 h LYS 11 N -1.05 0.56 0.13 1.57 1.79 -0.88 0.64 116.57 119.33 3d17 h LYS 11 Ca -0.08 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 3d17 h LYS 11 Cb 0.65 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3d17 h LYS 11 CO 0.13 0.37 -0.06 0.00 -1.08 0.00 0.00 179.45 178.81 3d17 h ALA 12 N 1.61 -0.18 -0.44 3.86 0.00 -0.34 0.17 119.26 123.94 3d17 h ALA 12 Ca 0.47 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3d17 h ALA 12 Cb 0.92 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3d17 h ALA 12 CO -0.21 -0.52 -0.15 0.00 0.00 0.00 0.00 179.25 178.37 3d17 h ALA 13 N 0.49 0.91 -0.12 0.00 0.00 0.76 -2.07 119.26 119.23 3d17 h ALA 13 Ca -0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3d17 h ALA 13 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3d17 h ALA 13 CO 0.03 0.63 -0.23 2.35 0.00 0.00 0.00 179.25 182.03 3d17 h TRP 14 N 0.73 0.22 -0.24 0.00 -0.00 0.33 -1.36 115.95 115.62 3d17 h TRP 14 Ca 0.11 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.95 3d17 h TRP 14 Cb 0.66 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.75 3d17 h TRP 14 CO 0.04 0.42 0.09 0.78 -0.00 0.00 0.00 178.44 179.77 3d17 h GLY 15 N 0.90 0.40 0.37 2.65 0.00 -0.04 -0.23 103.07 107.11 3d17 h GLY 15 Ca 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.16 3d17 h GLY 15 CO 0.04 0.21 -0.31 1.70 0.00 0.00 0.00 176.54 178.18 3d17 h LYS 16 N 0.24 -0.46 -0.47 4.80 1.63 -0.64 -2.33 116.57 119.33 3d17 h LYS 16 Ca 0.08 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3d17 h LYS 16 Cb 0.20 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 3d17 h LYS 16 CO -0.00 -0.31 0.18 0.28 -3.45 0.00 0.00 179.45 176.15 3d17 h VAL 17 N -0.48 0.86 0.00 2.00 2.07 -1.19 -3.43 116.25 116.08 3d17 h VAL 17 Ca 0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3d17 h VAL 17 Cb 0.55 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3d17 h VAL 17 CO -0.23 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.03 3d17 n GLY 18 N -1.25 0.35 0.25 2.17 0.00 -0.11 -0.19 105.19 106.41 3d17 n GLY 18 Ca 0.04 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3d17 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d17 h ALA 19 N 0.00 0.57 0.00 4.61 0.00 -1.86 -3.01 119.26 119.58 3d17 h ALA 19 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3d17 h ALA 19 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3d17 h ALA 19 CO 0.00 0.55 0.00 0.72 0.00 0.00 0.00 179.25 180.52 3d17 n HIS 20 N -4.21 0.00 -0.34 0.00 -0.00 0.73 -3.88 115.22 107.54 3d17 n HIS 20 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.63 3d17 n HIS 20 Cb 0.44 -0.44 -0.06 0.00 -0.00 0.00 0.00 29.99 29.94 3d17 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3d17 n ALA 21 N -1.44 -0.43 0.06 -1.41 0.00 -1.14 -0.16 120.51 116.00 3d17 n ALA 21 Ca 0.03 0.72 -0.11 0.00 0.00 0.00 0.00 53.44 54.07 3d17 n ALA 21 Cb 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 3d17 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3d17 h GLY 22 N 0.00 -0.15 -0.01 0.00 0.00 -1.83 -1.36 103.07 99.71 3d17 h GLY 22 Ca 0.16 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.64 3d17 h GLY 22 CO -0.78 -0.12 -0.25 -2.09 0.00 0.00 0.00 176.54 173.31 3d17 h GLU 23 N -0.20 -0.29 -1.00 4.80 4.81 -0.80 -1.91 114.58 119.98 3d17 h GLU 23 Ca 0.03 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.51 3d17 h GLU 23 Cb 0.24 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.57 3d17 h GLU 23 CO -0.10 -0.20 0.59 1.88 -0.73 0.00 0.00 179.01 180.46 3d17 h TYR 24 N -0.31 1.02 -0.62 0.92 0.99 -0.70 0.18 116.97 118.44 3d17 h TYR 24 Ca 0.01 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.80 3d17 h TYR 24 Cb 0.33 -0.30 -0.04 0.00 1.00 0.00 0.00 36.73 37.73 3d17 h TYR 24 CO -0.45 0.13 0.38 0.78 -0.00 0.00 0.00 178.16 178.99 3d17 h GLY 25 N 0.64 0.89 1.57 3.88 0.00 -0.54 0.14 103.07 109.66 3d17 h GLY 25 Ca 0.62 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 3d17 h GLY 25 CO -0.44 0.23 -0.20 0.00 0.00 0.00 0.00 176.54 176.13 3d17 h ALA 26 N 1.28 1.14 -0.31 3.60 0.00 -0.26 -2.67 119.26 122.03 3d17 h ALA 26 Ca 0.25 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3d17 h ALA 26 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3d17 h ALA 26 CO -0.11 0.54 -0.30 1.49 0.00 0.00 0.00 179.25 180.87 3d17 h GLU 27 N 0.46 0.65 -0.33 0.00 4.81 -0.49 -1.80 114.58 117.87 3d17 h GLU 27 Ca 0.07 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 3d17 h GLU 27 Cb 0.61 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3d17 h GLU 27 CO 0.04 0.87 0.16 0.00 -0.73 0.00 0.00 179.01 179.35 3d17 h ALA 28 N 1.12 0.41 0.10 2.92 0.00 -0.67 -0.38 119.26 122.76 3d17 h ALA 28 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3d17 h ALA 28 Cb 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3d17 h ALA 28 CO 0.06 -0.21 -0.05 -0.07 0.00 0.00 0.00 179.25 178.98 3d17 h LEU 29 N 0.34 -0.12 -1.34 0.00 3.38 -1.27 -0.12 115.31 116.19 3d17 h LEU 29 Ca 0.14 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3d17 h LEU 29 Cb 0.05 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3d17 h LEU 29 CO -0.10 0.06 0.50 -0.08 0.09 0.00 0.00 178.44 178.91 3d17 h GLU 30 N -0.29 0.77 -0.14 1.13 4.81 -1.15 0.36 114.58 120.07 3d17 h GLU 30 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3d17 h GLU 30 Cb 0.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3d17 h GLU 30 CO 0.02 0.51 0.02 0.00 -0.73 0.00 0.00 179.01 178.83 3d17 h ARG 31 N 0.79 0.24 0.09 1.92 3.08 -0.80 -2.54 114.38 117.16 3d17 h ARG 31 Ca 0.33 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.33 3d17 h ARG 31 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3d17 h ARG 31 CO -0.11 0.43 -0.18 1.98 -1.07 0.00 0.00 179.97 181.02 3d17 h MET 32 N 0.01 -0.33 -0.37 0.04 4.05 0.05 -0.10 114.93 118.28 3d17 h MET 32 Ca 0.04 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.59 3d17 h MET 32 Cb 0.31 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 3d17 h MET 32 CO 0.00 -0.22 0.27 0.74 0.23 0.00 0.00 176.91 177.94 3d17 h PHE 33 N -0.34 0.00 0.14 1.39 0.04 -0.94 0.18 116.94 117.41 3d17 h PHE 33 Ca 0.03 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.47 3d17 h PHE 33 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 3d17 h PHE 33 CO -0.18 0.00 -1.67 -0.07 -0.60 0.00 0.00 178.31 175.79 3d17 h LEU 34 N 0.00 0.47 -0.32 1.54 3.38 -1.00 -3.23 115.31 116.15 3d17 h LEU 34 Ca 0.18 -0.90 -0.20 0.00 0.09 0.00 0.00 57.88 57.05 3d17 h LEU 34 Cb 0.72 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3d17 h LEU 34 CO -0.00 1.73 -0.77 0.28 0.09 0.00 0.00 178.44 179.78 3d17 h SER 35 N -0.09 0.61 -2.83 -0.43 0.02 -0.60 -3.39 113.55 106.83 3d17 h SER 35 Ca -0.35 -0.41 -0.58 0.00 -0.84 0.00 0.00 61.79 59.62 3d17 h SER 35 Cb 1.93 -0.18 -0.39 0.00 0.14 0.00 0.00 62.40 63.90 3d17 h SER 35 CO 0.10 1.17 -0.81 -0.36 -1.14 0.00 0.00 176.83 175.79 3d17 s PHE 36 N -3.61 0.96 0.27 3.45 0.40 0.59 -5.01 117.98 115.03 3d17 s PHE 36 Ca -0.07 -1.66 0.00 0.00 -0.60 0.00 0.00 56.93 54.60 3d17 s PHE 36 Cb 0.10 -1.15 0.53 0.00 0.51 0.00 0.00 43.02 43.01 3d17 s PHE 36 CO 0.86 -0.82 1.82 -1.35 0.70 0.00 0.00 175.22 176.43 3d17 h PRO 37 N 7.25 0.88 -1.67 0.24 0.11 -1.74 -2.61 132.00 134.46 3d17 h PRO 37 Ca -0.01 -0.05 0.49 0.00 0.11 0.00 0.00 66.00 66.54 3d17 h PRO 37 Cb 0.97 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 31.81 3d17 h PRO 37 CO 0.34 0.58 1.19 1.15 -0.21 0.00 0.00 178.00 181.06 3d17 h THR 38 N 0.91 0.14 0.00 -1.15 2.02 -1.93 1.47 112.91 114.38 3d17 h THR 38 Ca 0.48 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.65 3d17 h THR 38 Cb 0.50 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3d17 h THR 38 CO -0.28 0.00 0.00 0.35 0.37 0.00 0.00 175.52 175.97 3d17 n THR 39 N -4.09 0.44 0.29 3.16 -2.24 -0.98 -2.29 114.28 108.56 3d17 n THR 39 Ca 0.38 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.39 3d17 n THR 39 Cb 1.72 -0.87 0.13 0.00 -2.10 0.00 0.00 70.33 69.22 3d17 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3d17 h LYS 40 N 0.00 0.00 -0.11 -0.78 1.57 0.18 -3.31 116.57 114.12 3d17 h LYS 40 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3d17 h LYS 40 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3d17 h LYS 40 CO 0.00 0.00 0.09 1.79 -0.57 0.00 0.00 179.45 180.76 3d17 h THR 41 N 0.00 0.84 -0.00 -0.16 1.35 -1.61 0.88 112.91 114.21 3d17 h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3d17 h THR 41 Cb 0.92 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3d17 h THR 41 CO 0.00 0.00 -0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 3d17 n TYR 42 N -4.35 0.00 -3.12 4.73 4.01 -1.25 -4.16 117.16 113.02 3d17 n TYR 42 Ca -0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3d17 n TYR 42 Cb 0.20 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 3d17 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3d17 n PHE 43 N -0.97 1.65 0.43 -0.72 3.01 0.30 -4.98 117.46 116.18 3d17 n PHE 43 Ca 0.22 -3.88 -0.19 0.00 1.01 0.00 0.00 57.45 54.61 3d17 n PHE 43 Cb 0.14 -0.45 -0.10 0.00 -0.01 0.00 0.00 39.48 39.07 3d17 n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3d17 h PRO 44 N 3.15 -1.14 0.65 -1.08 0.11 -1.72 -2.92 132.00 129.05 3d17 h PRO 44 Ca 0.11 0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 3d17 h PRO 44 Cb 0.79 0.26 0.01 0.00 0.11 0.00 0.00 31.00 32.16 3d17 h PRO 44 CO 0.62 -0.76 -0.31 0.45 -0.21 0.00 0.00 178.00 177.79 3d17 h HIS 45 N -1.19 -0.81 0.00 0.65 3.86 -1.95 -2.42 115.15 113.29 3d17 h HIS 45 Ca -0.11 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3d17 h HIS 45 Cb 0.95 0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3d17 h HIS 45 CO -0.10 -0.50 0.50 1.19 0.86 0.00 0.00 177.93 179.88 3d17 n PHE 46 N -4.99 0.15 0.00 2.45 0.99 -1.26 -4.66 117.46 110.14 3d17 n PHE 46 Ca -0.11 0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3d17 n PHE 46 Cb 0.34 -0.25 0.00 0.00 -1.00 0.00 0.00 39.48 38.57 3d17 n PHE 46 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3d17 n ASP 47 N -1.68 0.00 -4.54 4.37 5.68 -0.91 -4.45 116.55 115.01 3d17 n ASP 47 Ca -0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 54.79 53.75 3d17 n ASP 47 Cb 0.51 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.42 3d17 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d17 n LEU 48 N 0.00 2.25 -4.60 -2.12 -0.00 -1.26 -5.02 117.00 106.25 3d17 n LEU 48 Ca 0.00 0.69 -0.34 0.00 -0.00 0.00 0.00 56.01 56.36 3d17 n LEU 48 Cb 0.00 -1.21 -0.11 0.00 -0.00 0.00 0.00 43.42 42.10 3d17 n LEU 48 CO 0.00 -0.57 -0.36 -0.44 -0.00 0.00 0.00 177.39 176.02 3d17 s SER 49 N 5.75 4.81 -0.42 1.45 0.01 -1.26 -5.01 113.70 119.03 3d17 s SER 49 Ca 1.05 0.01 -0.32 0.00 1.31 0.00 0.00 55.95 58.00 3d17 s SER 49 Cb -0.95 -1.32 -0.10 0.00 0.21 0.00 0.00 66.02 63.86 3d17 s SER 49 CO 0.56 0.35 2.29 1.57 0.41 0.00 0.00 173.24 178.42 3d17 n HIS 50 N 2.35 1.52 0.00 2.43 -0.00 -1.26 0.14 115.22 120.40 3d17 n HIS 50 Ca -0.18 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3d17 n HIS 50 Cb 0.53 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.83 3d17 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3d17 n GLY 51 N 6.31 0.61 3.63 1.57 0.00 -1.26 -5.04 105.19 111.01 3d17 n GLY 51 Ca 0.41 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.86 3d17 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d17 n SER 52 N 0.00 2.12 0.11 1.61 2.88 0.37 -4.81 113.62 115.90 3d17 n SER 52 Ca 0.00 0.93 0.16 0.00 -1.33 0.00 0.00 58.87 58.63 3d17 n SER 52 Cb 0.00 -1.12 0.70 0.00 -0.75 0.00 0.00 64.21 63.04 3d17 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d17 h ALA 53 N 8.14 2.23 -0.37 -1.46 0.00 -1.96 -0.20 119.26 125.64 3d17 h ALA 53 Ca -0.40 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.58 3d17 h ALA 53 Cb 1.33 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 3d17 h ALA 53 CO 0.99 -0.41 -0.17 1.96 0.00 0.00 0.00 179.25 181.62 3d17 h GLN 54 N 0.00 -0.09 0.00 0.00 7.50 -1.91 -0.10 115.11 120.51 3d17 h GLN 54 Ca 0.15 0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.23 3d17 h GLN 54 Cb 0.64 0.02 0.01 0.00 0.05 0.00 0.00 27.48 28.20 3d17 h GLN 54 CO -0.00 -0.06 -0.32 0.28 -1.50 0.00 0.00 178.83 177.23 3d17 h VAL 55 N -0.10 1.53 -0.97 -0.54 2.07 -1.47 -2.29 116.25 114.49 3d17 h VAL 55 Ca 0.19 -2.00 0.13 0.00 0.82 0.00 0.00 66.70 65.84 3d17 h VAL 55 Cb 0.38 2.77 -0.08 0.00 -1.52 0.00 0.00 31.29 32.84 3d17 h VAL 55 CO -0.44 0.55 0.61 0.50 0.02 0.00 0.00 177.57 178.82 3d17 h LYS 56 N -0.44 0.87 0.00 1.57 3.11 -1.01 3.57 116.57 124.24 3d17 h LYS 56 Ca -0.04 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 3d17 h LYS 56 Cb 1.08 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 3d17 h LYS 56 CO 0.06 0.57 -0.12 0.41 -2.81 0.00 0.00 179.45 177.57 3d17 n GLY 57 N -1.37 -1.65 0.10 5.01 0.00 -0.06 -3.23 105.19 103.99 3d17 n GLY 57 Ca 0.19 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3d17 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d17 n HIS 58 N -2.23 0.36 0.27 1.61 -0.00 0.11 -3.59 115.22 111.76 3d17 n HIS 58 Ca 0.05 0.11 0.15 0.00 -0.00 0.00 0.00 57.72 58.04 3d17 n HIS 58 Cb 0.43 -1.06 0.76 0.00 -0.00 0.00 0.00 29.99 30.12 3d17 n HIS 58 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3d17 h GLY 59 N 3.24 0.00 1.28 1.57 0.00 0.64 0.33 103.07 110.13 3d17 h GLY 59 Ca -0.48 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.53 3d17 h GLY 59 CO 0.03 0.00 -1.49 1.70 0.00 0.00 0.00 176.54 176.77 3d17 h LYS 60 N 0.00 0.40 -0.66 4.80 3.64 -1.63 -3.10 116.57 120.03 3d17 h LYS 60 Ca 0.00 -0.68 -0.07 0.00 -1.27 0.00 0.00 60.65 58.63 3d17 h LYS 60 Cb 0.12 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3d17 h LYS 60 CO 0.00 1.31 0.14 0.87 -2.27 0.00 0.00 179.45 179.50 3d17 h LYS 61 N 0.11 1.05 -0.23 1.90 1.57 -1.00 -1.59 116.57 118.38 3d17 h LYS 61 Ca -0.24 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 3d17 h LYS 61 Cb 2.08 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 3d17 h LYS 61 CO 0.22 0.94 -0.31 -0.39 -0.57 0.00 0.00 179.45 179.34 3d17 h VAL 62 N 0.99 1.32 -0.73 0.50 -1.51 -1.59 -2.01 116.25 113.23 3d17 h VAL 62 Ca 0.21 -1.50 0.04 0.00 -1.23 0.00 0.00 66.70 64.21 3d17 h VAL 62 Cb 0.37 1.75 -0.05 0.00 -2.13 0.00 0.00 31.29 31.24 3d17 h VAL 62 CO 0.00 0.47 0.45 0.00 -1.23 0.00 0.00 177.57 177.26 3d17 h ALA 63 N 0.64 0.97 -0.53 5.19 0.00 -1.44 0.20 119.26 124.29 3d17 h ALA 63 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3d17 h ALA 63 Cb 0.88 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3d17 h ALA 63 CO 0.07 0.21 0.16 -0.44 0.00 0.00 0.00 179.25 179.25 3d17 h ASP 64 N 0.87 0.78 0.33 0.00 3.32 -1.27 -0.90 116.42 119.55 3d17 h ASP 64 Ca 0.30 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3d17 h ASP 64 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3d17 h ASP 64 CO -0.13 0.79 -0.25 0.00 -1.72 0.00 0.00 179.24 177.93 3d17 h ALA 65 N 1.02 -0.57 -0.80 3.45 0.00 -0.55 -0.65 119.26 121.17 3d17 h ALA 65 Ca 0.17 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3d17 h ALA 65 Cb 0.29 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3d17 h ALA 65 CO -0.00 -0.84 0.52 -0.07 0.00 0.00 0.00 179.25 178.86 3d17 h LEU 66 N -0.58 0.71 -0.41 0.00 3.38 -0.49 -0.38 115.31 117.54 3d17 h LEU 66 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3d17 h LEU 66 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3d17 h LEU 66 CO -0.00 0.43 0.11 0.74 0.09 0.00 0.00 178.44 179.81 3d17 h THR 67 N 0.79 1.23 -0.25 0.22 2.02 -0.76 -0.93 112.91 115.23 3d17 h THR 67 Ca 0.36 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 3d17 h THR 67 Cb 0.36 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3d17 h THR 67 CO -0.13 0.27 0.08 -1.13 0.37 0.00 0.00 175.52 174.97 3d17 h ASN 68 N 0.52 0.31 -0.33 4.18 -0.73 0.19 -0.18 115.58 119.54 3d17 h ASN 68 Ca 0.13 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.22 3d17 h ASN 68 Cb 0.29 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 3d17 h ASN 68 CO -0.00 0.31 0.02 0.00 -0.37 0.00 0.00 177.43 177.39 3d17 h ALA 69 N 1.74 0.44 -0.85 1.57 0.00 -0.39 -1.97 119.26 119.80 3d17 h ALA 69 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3d17 h ALA 69 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3d17 h ALA 69 CO -0.01 0.18 0.45 0.28 0.00 0.00 0.00 179.25 180.15 3d17 h VAL 70 N 0.38 1.25 0.20 0.00 2.07 -0.05 -1.69 116.25 118.42 3d17 h VAL 70 Ca 0.10 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3d17 h VAL 70 Cb 0.41 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3d17 h VAL 70 CO 0.01 0.29 -0.26 0.00 0.02 0.00 0.00 177.57 177.63 3d17 h ALA 71 N 1.24 -0.51 -1.52 1.67 0.00 -0.82 -2.91 119.26 116.41 3d17 h ALA 71 Ca 0.30 -0.07 -0.79 0.00 0.00 0.00 0.00 54.91 54.36 3d17 h ALA 71 Cb 0.06 0.40 -0.29 0.00 0.00 0.00 0.00 17.79 17.97 3d17 h ALA 71 CO -0.04 -0.82 0.80 0.72 0.00 0.00 0.00 179.25 179.90 3d17 n HIS 72 N -5.38 2.76 0.05 0.00 8.25 -0.76 -4.84 115.22 115.30 3d17 n HIS 72 Ca -0.08 -2.72 -0.05 0.00 -0.26 0.00 0.00 57.72 54.61 3d17 n HIS 72 Cb 0.29 -1.14 0.03 0.00 1.12 0.00 0.00 29.99 30.29 3d17 n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3d17 n VAL 73 N 0.28 1.80 -1.91 1.59 3.14 -0.66 -2.75 118.33 119.82 3d17 n VAL 73 Ca 0.40 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 61.12 3d17 n VAL 73 Cb 0.29 -1.14 -0.05 0.00 -1.06 0.00 0.00 33.84 31.89 3d17 n VAL 73 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3d17 n ASP 74 N 0.57 -0.71 -1.23 6.55 4.64 -1.26 -3.67 116.55 121.45 3d17 n ASP 74 Ca 0.11 -1.55 -0.05 0.00 -1.38 0.00 0.00 54.79 51.92 3d17 n ASP 74 Cb 0.64 0.21 -0.02 0.00 -1.04 0.00 0.00 41.12 40.91 3d17 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3d17 n ASP 75 N 0.00 -0.88 -0.10 1.67 -0.08 -1.11 -4.93 116.55 111.12 3d17 n ASP 75 Ca -0.20 -1.69 0.19 0.00 -1.51 0.00 0.00 54.79 51.58 3d17 n ASP 75 Cb 0.60 0.31 0.60 0.00 2.34 0.00 0.00 41.12 44.97 3d17 n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3d17 h MET 76 N 0.17 0.20 -0.35 -0.67 2.86 -1.85 0.14 114.93 115.42 3d17 h MET 76 Ca -0.44 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.20 3d17 h MET 76 Cb 1.23 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 3d17 h MET 76 CO -0.22 0.13 0.21 -1.35 1.06 0.00 0.00 176.91 176.75 3d17 h PRO 77 N 0.20 0.42 0.17 -0.22 0.11 -1.94 0.11 132.00 130.85 3d17 h PRO 77 Ca 0.33 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.19 3d17 h PRO 77 Cb 1.01 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.05 3d17 h PRO 77 CO -0.06 0.28 -1.00 -0.97 -0.21 0.00 0.00 178.00 176.04 3d17 h ASN 78 N 0.43 0.55 -0.56 -2.05 -1.24 -1.70 0.39 115.58 111.39 3d17 h ASN 78 Ca 0.14 -0.94 0.03 0.00 0.71 0.00 0.00 56.30 56.24 3d17 h ASN 78 Cb -0.00 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 3d17 h ASN 78 CO -0.06 1.48 0.37 0.00 -1.29 0.00 0.00 177.43 177.93 3d17 h ALA 79 N 0.09 1.73 0.00 1.57 0.00 -0.75 -3.18 119.26 118.72 3d17 h ALA 79 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3d17 h ALA 79 Cb 1.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3d17 h ALA 79 CO 0.18 0.21 -1.41 1.28 0.00 0.00 0.00 179.25 179.50 3d17 n LEU 80 N -4.47 0.25 -0.56 0.00 4.32 0.02 -4.58 117.00 111.97 3d17 n LEU 80 Ca 0.07 -0.16 0.44 0.00 -0.02 0.00 0.00 56.01 56.33 3d17 n LEU 80 Cb 0.15 0.00 0.67 0.00 -1.62 0.00 0.00 43.42 42.62 3d17 n LEU 80 CO 0.35 0.06 1.27 -0.24 -1.22 0.00 0.00 177.39 177.61 3d17 n SER 81 N -1.84 0.00 0.31 -1.43 2.88 0.13 0.16 113.62 113.83 3d17 n SER 81 Ca -0.01 0.84 -0.17 0.00 -1.33 0.00 0.00 58.87 58.20 3d17 n SER 81 Cb 0.37 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.34 3d17 n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d17 h ALA 82 N 0.81 -0.84 -0.04 -1.46 0.00 -1.81 -2.75 119.26 113.16 3d17 h ALA 82 Ca 0.77 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 3d17 h ALA 82 Cb 3.20 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 21.40 3d17 h ALA 82 CO -0.01 -0.99 -0.13 -0.07 0.00 0.00 0.00 179.25 178.06 3d17 h LEU 83 N -0.83 0.06 0.05 0.00 -0.00 0.13 -3.09 115.31 111.63 3d17 h LEU 83 Ca -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3d17 h LEU 83 Cb 0.68 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 3d17 h LEU 83 CO 0.06 0.20 -0.17 0.28 -0.00 0.00 0.00 178.44 178.80 3d17 h SER 84 N 0.06 -0.52 -0.49 -0.43 0.02 -1.14 -0.59 113.55 110.46 3d17 h SER 84 Ca 0.01 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.12 3d17 h SER 84 Cb 0.27 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 62.91 3d17 h SER 84 CO 0.02 -0.19 -0.07 0.44 -1.14 0.00 0.00 176.83 175.89 3d17 h ASP 85 N -0.26 -0.36 0.29 3.07 5.19 -1.53 1.22 116.42 124.04 3d17 h ASP 85 Ca -0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3d17 h ASP 85 Cb 0.25 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 3d17 h ASP 85 CO -0.09 -0.13 -0.34 0.25 -3.12 0.00 0.00 179.24 175.81 3d17 h LEU 86 N 0.04 -0.94 -0.21 1.55 6.46 -1.44 0.41 115.31 121.19 3d17 h LEU 86 Ca 0.24 0.09 -0.21 0.00 -0.12 0.00 0.00 57.88 57.88 3d17 h LEU 86 Cb 0.37 0.33 0.01 0.00 -0.73 0.00 0.00 40.66 40.64 3d17 h LEU 86 CO -0.47 -0.47 -0.74 0.45 -0.62 0.00 0.00 178.44 176.59 3d17 h HIS 87 N -0.68 1.03 0.58 1.25 3.86 -0.76 -2.13 115.15 118.30 3d17 h HIS 87 Ca -0.01 -0.44 -0.03 0.00 -1.16 0.00 0.00 60.37 58.73 3d17 h HIS 87 Cb 0.63 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.94 3d17 h HIS 87 CO -0.22 1.27 -0.28 0.00 0.86 0.00 0.00 177.93 179.55 3d17 h ALA 88 N 0.62 -0.87 -3.00 2.45 0.00 0.16 -1.39 119.26 117.21 3d17 h ALA 88 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3d17 h ALA 88 Cb 1.36 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3d17 h ALA 88 CO 0.15 -0.82 0.00 0.72 0.00 0.00 0.00 179.25 179.30 3d17 n HIS 89 N -4.89 0.00 0.00 0.00 8.25 0.14 -2.96 115.22 115.76 3d17 n HIS 89 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3d17 n HIS 89 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 3d17 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3d17 n LYS 90 N 0.00 0.00 -0.05 -0.41 3.00 -1.24 0.76 118.16 120.22 3d17 n LYS 90 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 3d17 n LYS 90 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 3d17 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3d17 h LEU 91 N 0.00 0.41 -2.33 3.14 3.38 -1.58 -3.49 115.31 114.85 3d17 h LEU 91 Ca 0.00 -0.54 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 3d17 h LEU 91 Cb 0.00 -0.12 0.10 0.00 0.09 0.00 0.00 40.66 40.73 3d17 h LEU 91 CO 0.00 0.87 -0.44 0.54 0.09 0.00 0.00 178.44 179.50 3d17 n ARG 92 N -4.49 -2.19 -2.70 1.13 1.74 0.23 -4.98 116.66 105.40 3d17 n ARG 92 Ca -0.07 0.46 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 3d17 n ARG 92 Cb 0.42 -4.01 -0.02 0.00 -1.02 0.00 0.00 32.46 27.82 3d17 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d17 s VAL 93 N -3.20 4.70 -0.08 1.55 1.01 -0.58 -4.98 120.40 118.83 3d17 s VAL 93 Ca 0.14 1.95 -0.36 0.00 0.00 0.00 0.00 61.98 63.71 3d17 s VAL 93 Cb -0.02 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 3d17 s VAL 93 CO 0.39 -0.16 1.73 -0.67 0.00 0.00 0.00 175.10 176.38 3d17 n ASP 94 N 6.27 2.88 -0.19 3.32 -0.08 -1.26 -4.84 116.55 122.65 3d17 n ASP 94 Ca 0.11 1.04 0.18 0.00 -1.51 0.00 0.00 54.79 54.61 3d17 n ASP 94 Cb 0.46 -1.30 0.53 0.00 2.34 0.00 0.00 41.12 43.16 3d17 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3d17 h PRO 95 N 7.53 0.35 -0.79 -0.67 0.11 -1.99 -0.03 132.00 136.52 3d17 h PRO 95 Ca -0.47 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.80 3d17 h PRO 95 Cb 1.29 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 3d17 h PRO 95 CO 0.92 0.23 0.53 -0.24 -0.21 0.00 0.00 178.00 179.24 3d17 h VAL 96 N 0.36 0.71 0.00 3.15 3.04 -2.02 -0.20 116.25 121.29 3d17 h VAL 96 Ca 0.41 -0.10 -0.06 0.00 -1.01 0.00 0.00 66.70 65.94 3d17 h VAL 96 Cb 1.05 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 3d17 h VAL 96 CO -0.13 0.05 -0.27 0.78 -1.01 0.00 0.00 177.57 176.99 3d17 h ASN 97 N 0.29 0.00 0.62 3.17 -0.26 -1.35 -2.61 115.58 115.43 3d17 h ASN 97 Ca 0.39 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.10 3d17 h ASN 97 Cb 1.10 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.35 3d17 h ASN 97 CO -0.10 0.27 -0.14 -0.26 -1.06 0.00 0.00 177.43 176.14 3d17 h PHE 98 N 0.00 0.00 0.14 1.19 0.04 -1.14 -2.18 116.94 114.99 3d17 h PHE 98 Ca -0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 3d17 h PHE 98 Cb 0.58 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.76 3d17 h PHE 98 CO 0.00 0.14 -1.01 0.87 -0.60 0.00 0.00 178.31 177.71 3d17 h LYS 99 N 0.00 0.44 -0.33 1.51 1.57 -1.54 -3.21 116.57 115.01 3d17 h LYS 99 Ca -0.00 -0.66 -0.01 0.00 -1.87 0.00 0.00 60.65 58.11 3d17 h LYS 99 Cb 0.49 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3d17 h LYS 99 CO 0.02 1.30 0.17 -0.07 -0.57 0.00 0.00 179.45 180.29 3d17 h LEU 100 N -0.09 0.40 -0.00 2.94 3.38 -1.20 -2.31 115.31 118.43 3d17 h LEU 100 Ca -0.17 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 3d17 h LEU 100 Cb 1.76 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.42 3d17 h LEU 100 CO 0.19 0.34 -0.52 0.25 0.09 0.00 0.00 178.44 178.79 3d17 h LEU 101 N 0.46 0.46 -0.43 1.67 5.85 -1.56 -2.89 115.31 118.88 3d17 h LEU 101 Ca 0.12 -0.76 0.09 0.00 0.84 0.00 0.00 57.88 58.16 3d17 h LEU 101 Cb 0.04 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 3d17 h LEU 101 CO -0.02 1.17 -0.10 0.28 -0.34 0.00 0.00 178.44 179.43 3d17 h SER 102 N -0.19 -0.39 -0.82 1.25 0.02 -1.49 0.71 113.55 112.63 3d17 h SER 102 Ca -0.06 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3d17 h SER 102 Cb 1.25 0.26 -0.05 0.00 0.14 0.00 0.00 62.40 64.00 3d17 h SER 102 CO 0.10 -0.14 0.54 -0.74 -1.14 0.00 0.00 176.83 175.45 3d17 h HIS 103 N 0.00 0.93 -0.05 3.45 -0.00 -1.49 0.86 115.15 118.85 3d17 h HIS 103 Ca 0.21 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.46 3d17 h HIS 103 Cb 0.31 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3d17 h HIS 103 CO -0.37 0.50 -0.60 0.00 -0.00 0.00 0.00 177.93 177.46 3d17 h LEU 105 N 0.13 1.00 0.34 0.00 3.38 0.20 -0.72 115.31 119.65 3d17 h LEU 105 Ca -0.01 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3d17 h LEU 105 Cb 1.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3d17 h LEU 105 CO 0.09 1.28 -0.16 -0.07 0.09 0.00 0.00 178.44 179.66 3d17 h LEU 106 N 0.75 -0.39 -1.10 1.67 3.38 -0.81 0.11 115.31 118.92 3d17 h LEU 106 Ca 0.05 -0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.13 3d17 h LEU 106 Cb 1.02 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 3d17 h LEU 106 CO 0.10 -0.08 0.62 0.58 0.09 0.00 0.00 178.44 179.75 3d17 h VAL 107 N -0.71 0.59 0.06 1.22 2.07 -1.12 0.30 116.25 118.65 3d17 h VAL 107 Ca -0.05 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3d17 h VAL 107 Cb 0.49 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3d17 h VAL 107 CO 0.08 0.11 -0.03 0.74 0.02 0.00 0.00 177.57 178.49 3d17 h THR 108 N 0.60 1.01 0.00 2.57 2.02 -0.56 -2.20 112.91 116.35 3d17 h THR 108 Ca 0.61 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 3d17 h THR 108 Cb 1.18 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3d17 h THR 108 CO -0.40 0.05 -0.03 -0.07 0.37 0.00 0.00 175.52 175.44 3d17 h LEU 109 N -0.17 0.00 0.17 2.58 4.07 0.20 -2.85 115.31 119.31 3d17 h LEU 109 Ca -0.01 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.65 3d17 h LEU 109 Cb 0.15 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.90 3d17 h LEU 109 CO 0.01 0.03 -1.36 0.00 -1.08 0.00 0.00 178.44 176.04 3d17 h ALA 110 N 1.97 0.03 0.00 1.53 0.00 -0.31 -0.78 119.26 121.70 3d17 h ALA 110 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3d17 h ALA 110 Cb 0.36 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d17 h ALA 110 CO 0.00 0.91 0.00 0.00 0.00 0.00 0.00 179.25 180.16 3d17 n ALA 111 N -2.61 2.35 0.00 0.00 0.00 -0.85 -3.84 120.51 115.56 3d17 n ALA 111 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3d17 n ALA 111 Cb 1.05 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3d17 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d17 n HIS 112 N -1.35 0.00 -3.57 0.00 -0.00 -1.10 -4.84 115.22 104.36 3d17 n HIS 112 Ca 0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.56 3d17 n HIS 112 Cb 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.14 3d17 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3d17 n LEU 113 N -0.84 2.11 0.00 2.41 4.77 -0.30 -5.03 117.00 120.12 3d17 n LEU 113 Ca 0.00 -5.03 0.00 0.00 -0.03 0.00 0.00 56.01 50.95 3d17 n LEU 113 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3d17 n LEU 113 CO 0.00 1.90 0.33 -0.81 -1.33 0.00 0.00 177.39 177.49 3d17 n PRO 114 N 1.76 0.00 0.00 3.23 -0.04 -1.26 -1.72 135.00 136.97 3d17 n PRO 114 Ca 0.25 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 64.27 3d17 n PRO 114 Cb 0.42 -1.16 0.54 0.00 -0.04 0.00 0.00 33.50 33.25 3d17 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d17 n ALA 115 N -1.33 2.78 0.10 0.55 0.00 -1.26 -3.65 120.51 117.70 3d17 n ALA 115 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.84 3d17 n ALA 115 Cb 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 3d17 n ALA 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3d17 h GLU 116 N 1.38 0.44 -3.89 0.00 4.39 -1.97 -3.40 114.58 111.53 3d17 h GLU 116 Ca 0.00 -0.76 -0.58 0.00 0.34 0.00 0.00 59.36 58.37 3d17 h GLU 116 Cb 0.42 0.28 0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3d17 h GLU 116 CO 0.00 1.36 2.73 0.34 -1.16 0.00 0.00 179.01 182.28 3d17 n PHE 117 N -3.63 2.07 -1.50 4.33 7.35 -0.70 -4.84 117.46 120.54 3d17 n PHE 117 Ca -0.21 -2.21 -0.29 0.00 -0.76 0.00 0.00 57.45 53.97 3d17 n PHE 117 Cb 1.09 -1.94 0.18 0.00 0.35 0.00 0.00 39.48 39.16 3d17 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d17 s THR 118 N 3.85 1.89 0.12 -2.13 -4.23 -1.26 -4.70 115.64 109.19 3d17 s THR 118 Ca 0.51 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.86 3d17 s THR 118 Cb 0.13 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 3d17 s THR 118 CO 0.01 0.00 1.63 -0.65 -0.54 0.00 0.00 174.62 175.07 3d17 h PRO 119 N -1.84 0.61 -0.41 3.99 0.11 -1.98 0.51 132.00 132.99 3d17 h PRO 119 Ca -0.48 -0.14 0.08 0.00 0.11 0.00 0.00 66.00 65.57 3d17 h PRO 119 Cb 1.30 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3d17 h PRO 119 CO 0.48 0.64 -0.03 0.00 -0.21 0.00 0.00 178.00 178.88 3d17 h ALA 120 N 0.95 0.35 -0.09 -0.75 0.00 -1.97 0.16 119.26 117.91 3d17 h ALA 120 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3d17 h ALA 120 Cb 0.29 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3d17 h ALA 120 CO -0.00 -0.41 0.00 0.28 0.00 0.00 0.00 179.25 179.12 3d17 h VAL 121 N 0.08 1.24 -0.81 0.00 2.07 -1.81 0.40 116.25 117.43 3d17 h VAL 121 Ca 0.20 -0.77 0.20 0.00 0.82 0.00 0.00 66.70 67.16 3d17 h VAL 121 Cb 0.30 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3d17 h VAL 121 CO -0.36 0.22 0.56 -0.74 0.02 0.00 0.00 177.57 177.26 3d17 h HIS 122 N -0.11 0.29 0.15 1.57 6.17 0.48 0.19 115.15 123.89 3d17 h HIS 122 Ca 0.03 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 3d17 h HIS 122 Cb 0.34 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.18 3d17 h HIS 122 CO 0.03 0.08 -0.07 0.00 0.71 0.00 0.00 177.93 178.68 3d17 h ALA 123 N 1.62 -0.20 -1.09 5.26 0.00 -0.06 -2.08 119.26 122.71 3d17 h ALA 123 Ca 0.40 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.44 3d17 h ALA 123 Cb 1.24 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 3d17 h ALA 123 CO -0.09 -0.23 0.76 0.77 0.00 0.00 0.00 179.25 180.46 3d17 h SER 124 N -0.97 0.15 0.01 0.00 0.02 0.28 0.27 113.55 113.29 3d17 h SER 124 Ca -0.02 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3d17 h SER 124 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3d17 h SER 124 CO 0.03 0.03 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.50 3d17 h LEU 125 N 0.13 0.03 -1.88 5.07 3.38 -0.73 -1.86 115.31 119.45 3d17 h LEU 125 Ca 0.55 -0.95 0.05 0.00 0.09 0.00 0.00 57.88 57.62 3d17 h LEU 125 Cb 1.93 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3d17 h LEU 125 CO -0.10 1.08 0.18 -0.78 0.09 0.00 0.00 178.44 178.90 3d17 h ASP 126 N -0.96 0.13 0.20 -0.43 1.82 -0.61 0.33 116.42 116.91 3d17 h ASP 126 Ca -0.05 -0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.43 3d17 h ASP 126 Cb 1.07 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 3d17 h ASP 126 CO -0.01 0.09 -0.64 0.50 -1.61 0.00 0.00 179.24 177.56 3d17 h LYS 127 N 0.15 0.42 0.12 0.28 3.64 -0.55 -2.22 116.57 118.42 3d17 h LYS 127 Ca 0.12 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3d17 h LYS 127 Cb 0.27 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3d17 h LYS 127 CO -0.02 0.92 -0.06 0.35 -2.27 0.00 0.00 179.45 178.38 3d17 h PHE 128 N 0.30 -0.15 0.00 1.91 3.57 -0.02 -2.87 116.94 119.68 3d17 h PHE 128 Ca -0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3d17 h PHE 128 Cb 1.19 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 3d17 h PHE 128 CO 0.04 0.33 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.37 3d17 h LEU 129 N -0.78 0.00 -0.09 0.59 3.38 -0.54 -0.92 115.31 116.94 3d17 h LEU 129 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3d17 h LEU 129 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3d17 h LEU 129 CO 0.03 0.01 -0.14 0.00 0.09 0.00 0.00 178.44 178.43 3d17 h ALA 130 N 1.99 0.14 -0.67 1.53 0.00 -1.36 -1.02 119.26 119.87 3d17 h ALA 130 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3d17 h ALA 130 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3d17 h ALA 130 CO 0.00 0.03 0.36 0.77 0.00 0.00 0.00 179.25 180.41 3d17 h SER 131 N -0.19 0.83 0.05 0.00 0.02 -0.97 -0.60 113.55 112.69 3d17 h SER 131 Ca 0.01 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3d17 h SER 131 Cb 0.70 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3d17 h SER 131 CO 0.03 0.68 -0.02 0.58 -1.14 0.00 0.00 176.83 176.96 3d17 h VAL 132 N 0.94 1.07 0.15 2.27 2.07 -1.22 -2.01 116.25 119.53 3d17 h VAL 132 Ca 0.24 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3d17 h VAL 132 Cb 0.03 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3d17 h VAL 132 CO -0.04 0.10 -0.39 0.28 0.02 0.00 0.00 177.57 177.54 3d17 h SER 133 N -0.24 -1.15 -0.92 0.57 0.02 -0.81 -0.78 113.55 110.24 3d17 h SER 133 Ca -0.01 0.13 0.16 0.00 -0.84 0.00 0.00 61.79 61.23 3d17 h SER 133 Cb 0.21 0.43 -0.16 0.00 0.14 0.00 0.00 62.40 63.02 3d17 h SER 133 CO 0.01 -0.48 -0.33 0.74 -1.14 0.00 0.00 176.83 175.64 3d17 h THR 134 N -0.65 0.05 -0.16 -2.27 2.02 -1.02 -0.89 112.91 109.99 3d17 h THR 134 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3d17 h THR 134 Cb 0.66 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3d17 h THR 134 CO -0.21 0.00 0.07 0.58 0.37 0.00 0.00 175.52 176.33 3d17 h VAL 135 N -0.02 1.14 -0.26 3.16 2.07 -0.76 -1.87 116.25 119.72 3d17 h VAL 135 Ca 0.37 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3d17 h VAL 135 Cb 0.62 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3d17 h VAL 135 CO -0.94 0.13 0.20 -0.07 0.02 0.00 0.00 177.57 176.91 3d17 h LEU 136 N 0.12 0.00 -1.83 2.57 3.38 0.19 -0.70 115.31 119.04 3d17 h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3d17 h LEU 136 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3d17 h LEU 136 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 3d17 n THR 137 N -4.30 0.12 0.31 0.22 -2.24 -0.73 -4.29 114.28 103.38 3d17 n THR 137 Ca 0.03 -0.51 0.19 0.00 -2.27 0.00 0.00 64.05 61.49 3d17 n THR 137 Cb 0.35 1.18 0.99 0.00 -2.10 0.00 0.00 70.33 70.76 3d17 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d17 h SER 138 N 4.20 0.00 -0.02 3.42 4.64 -0.28 -0.91 113.55 124.59 3d17 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d17 h SER 138 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3d17 h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3d17 n LYS 139 N -3.15 1.06 -0.19 4.77 4.76 -1.26 -2.00 118.16 122.15 3d17 n LYS 139 Ca -0.02 -0.09 0.07 0.00 -2.87 0.00 0.00 58.31 55.41 3d17 n LYS 139 Cb 0.24 -1.15 0.17 0.00 -1.84 0.00 0.00 35.03 32.45 3d17 n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3d17 n TYR 140 N -0.56 0.50 -0.05 2.13 4.02 -0.35 -4.81 117.16 118.05 3d17 n TYR 140 Ca 0.07 -0.43 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 3d17 n TYR 140 Cb 0.05 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 3d17 n TYR 140 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39