#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfz n LEU 2 N 0.00 -2.78 -4.58 6.55 4.77 -1.26 -5.04 117.00 114.66 1lfz n LEU 2 Ca 0.00 0.34 -0.30 0.00 -0.03 0.00 0.00 56.01 56.02 1lfz n LEU 2 Cb 0.00 -1.38 0.21 0.00 -2.33 0.00 0.00 43.42 39.92 1lfz n LEU 2 CO 0.00 -0.63 0.60 -0.94 -1.33 0.00 0.00 177.39 175.09 1lfz s SER 3 N -0.16 1.91 0.00 -1.43 1.04 -1.26 -4.72 113.70 109.08 1lfz s SER 3 Ca -0.03 1.89 0.04 0.00 0.48 0.00 0.00 55.95 58.32 1lfz s SER 3 Cb 0.00 -2.46 0.16 0.00 0.10 0.00 0.00 66.02 63.82 1lfz s SER 3 CO 0.13 -3.69 1.06 -0.81 0.98 0.00 0.00 173.24 170.92 1lfz n PRO 4 N -4.60 0.02 -0.09 4.02 -0.04 -1.26 -2.04 135.00 131.01 1lfz n PRO 4 Ca 0.08 0.38 -0.23 0.00 -0.04 0.00 0.00 63.50 63.69 1lfz n PRO 4 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1lfz n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lfz n ALA 5 N -1.44 0.96 -0.28 0.55 0.00 -1.26 -3.66 120.51 115.39 1lfz n ALA 5 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 53.44 52.71 1lfz n ALA 5 Cb 0.04 -0.38 0.09 0.00 0.00 0.00 0.00 19.45 19.20 1lfz n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1lfz h ASP 6 N -0.69 0.84 0.26 0.00 3.45 -1.78 0.47 116.42 118.96 1lfz h ASP 6 Ca -0.47 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.98 1lfz h ASP 6 Cb 1.58 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 40.16 1lfz h ASP 6 CO -0.19 0.58 0.00 0.07 -1.57 0.00 0.00 179.24 178.13 1lfz h LYS 7 N 0.99 0.00 0.11 3.56 2.10 -1.59 0.99 116.57 122.72 1lfz h LYS 7 Ca 0.31 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.59 1lfz h LYS 7 Cb -0.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 1lfz h LYS 7 CO -0.10 0.00 -2.05 2.41 -2.00 0.00 0.00 179.45 177.71 1lfz n THR 8 N -3.03 1.74 0.01 0.07 -1.04 -0.05 -3.06 114.28 108.92 1lfz n THR 8 Ca -0.02 -0.65 -0.03 0.00 -2.04 0.00 0.00 64.05 61.31 1lfz n THR 8 Cb 0.13 -1.68 0.22 0.00 -1.82 0.00 0.00 70.33 67.18 1lfz n THR 8 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1lfz h ASN 9 N 0.06 0.49 0.15 8.00 -0.26 0.11 -1.53 115.58 122.61 1lfz h ASN 9 Ca -0.44 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.14 1lfz h ASN 9 Cb 2.02 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 39.15 1lfz h ASN 9 CO 0.07 0.70 -0.07 0.58 -1.06 0.00 0.00 177.43 177.64 1lfz h VAL 10 N 0.45 0.00 -0.91 2.81 2.07 0.81 -2.43 116.25 119.05 1lfz h VAL 10 Ca 0.08 -0.18 0.19 0.00 0.82 0.00 0.00 66.70 67.61 1lfz h VAL 10 Cb 0.59 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.18 1lfz h VAL 10 CO 0.04 0.00 -0.18 0.29 0.02 0.00 0.00 177.57 177.74 1lfz n LYS 11 N -3.05 -0.08 0.42 1.57 5.02 -1.17 -0.14 118.16 120.73 1lfz n LYS 11 Ca -0.03 1.41 -0.18 0.00 -2.02 0.00 0.00 58.31 57.49 1lfz n LYS 11 Cb 0.08 -2.12 -0.09 0.00 -0.02 0.00 0.00 35.03 32.88 1lfz n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lfz h ALA 12 N 1.82 -1.07 -0.98 7.82 0.00 -1.37 0.54 119.26 126.01 1lfz h ALA 12 Ca 0.46 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 55.35 1lfz h ALA 12 Cb 0.75 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1lfz h ALA 12 CO -0.92 -1.06 0.63 0.00 0.00 0.00 0.00 179.25 177.90 1lfz h ALA 13 N -1.00 2.07 0.01 0.00 0.00 -0.20 0.30 119.26 120.45 1lfz h ALA 13 Ca -0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lfz h ALA 13 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1lfz h ALA 13 CO 0.18 -0.43 -0.01 2.35 0.00 0.00 0.00 179.25 181.35 1lfz h TRP 14 N 0.50 -0.01 -0.75 0.00 2.91 -0.18 -3.22 115.95 115.19 1lfz h TRP 14 Ca 0.55 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.72 1lfz h TRP 14 Cb 1.22 0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 29.77 1lfz h TRP 14 CO -0.00 0.69 0.23 0.78 -1.03 0.00 0.00 178.44 179.10 1lfz h GLY 15 N -0.74 1.09 0.17 2.65 0.00 0.16 0.60 103.07 107.00 1lfz h GLY 15 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1lfz h GLY 15 CO 0.00 -0.17 0.00 0.28 0.00 0.00 0.00 176.54 176.65 1lfz n LYS 16 N -5.10 0.34 -0.08 4.80 4.76 0.90 -3.23 118.16 120.56 1lfz n LYS 16 Ca 0.15 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1lfz n LYS 16 Cb 0.46 -1.09 -0.02 0.00 -1.84 0.00 0.00 35.03 32.53 1lfz n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1lfz n VAL 17 N -0.59 1.30 -4.02 -0.18 0.31 0.21 -5.04 118.33 110.33 1lfz n VAL 17 Ca 0.01 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1lfz n VAL 17 Cb 0.01 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.69 1lfz n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lfz n GLY 18 N 1.49 -1.52 0.57 2.92 0.00 -1.20 -3.89 105.19 103.56 1lfz n GLY 18 Ca -0.11 -1.31 0.43 0.00 0.00 0.00 0.00 46.02 45.02 1lfz n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfz h ALA 19 N -0.02 3.24 -0.25 4.61 0.00 -1.97 1.23 119.26 126.10 1lfz h ALA 19 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1lfz h ALA 19 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1lfz h ALA 19 CO 0.00 -1.80 0.31 0.45 0.00 0.00 0.00 179.25 178.21 1lfz h HIS 20 N 0.04 0.00 -0.77 0.00 -0.00 -2.01 -2.86 115.15 109.56 1lfz h HIS 20 Ca 0.83 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 61.31 1lfz h HIS 20 Cb 3.00 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 30.29 1lfz h HIS 20 CO -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 177.93 177.50 1lfz h ALA 21 N 1.62 -0.16 0.07 2.45 0.00 0.13 0.37 119.26 123.74 1lfz h ALA 21 Ca 0.12 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1lfz h ALA 21 Cb 0.74 1.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1lfz h ALA 21 CO -0.00 -0.76 -0.28 0.78 0.00 0.00 0.00 179.25 178.99 1lfz h GLY 22 N -0.12 -0.49 1.02 0.00 0.00 -1.72 -0.87 103.07 100.90 1lfz h GLY 22 Ca 0.24 0.33 0.11 0.00 0.00 0.00 0.00 47.33 48.01 1lfz h GLY 22 CO -0.82 -0.23 0.38 0.83 0.00 0.00 0.00 176.54 176.71 1lfz h GLU 23 N -0.47 0.00 0.03 4.80 5.08 -1.10 0.76 114.58 123.68 1lfz h GLU 23 Ca 0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 1lfz h GLU 23 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1lfz h GLU 23 CO -0.19 0.00 -0.98 1.88 -1.00 0.00 0.00 179.01 178.71 1lfz h TYR 24 N 0.00 0.23 0.84 4.33 0.99 0.99 -2.86 116.97 121.50 1lfz h TYR 24 Ca 0.19 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 1lfz h TYR 24 Cb 0.94 -0.02 0.01 0.00 1.00 0.00 0.00 36.73 38.66 1lfz h TYR 24 CO 0.00 1.03 -0.40 0.78 -0.00 0.00 0.00 178.16 179.57 1lfz h GLY 25 N 2.15 -1.17 -0.48 3.88 0.00 -0.00 0.17 103.07 107.62 1lfz h GLY 25 Ca -0.05 0.43 0.26 0.00 0.00 0.00 0.00 47.33 47.97 1lfz h GLY 25 CO 0.15 -0.43 0.34 0.00 0.00 0.00 0.00 176.54 176.59 1lfz h ALA 26 N -1.46 1.48 -0.46 3.60 0.00 -1.60 0.12 119.26 120.94 1lfz h ALA 26 Ca -0.11 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1lfz h ALA 26 Cb 0.86 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1lfz h ALA 26 CO 0.19 -0.50 -0.17 1.49 0.00 0.00 0.00 179.25 180.26 1lfz h GLU 27 N 0.24 0.92 -0.89 0.00 4.81 -1.25 -1.54 114.58 116.88 1lfz h GLU 27 Ca 0.61 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1lfz h GLU 27 Cb 1.28 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1lfz h GLU 27 CO -0.64 1.04 0.52 0.00 -0.73 0.00 0.00 179.01 179.19 1lfz h ALA 28 N 0.86 1.13 0.22 2.92 0.00 0.13 -1.03 119.26 123.48 1lfz h ALA 28 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1lfz h ALA 28 Cb 0.74 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1lfz h ALA 28 CO 0.06 0.61 -0.10 -0.07 0.00 0.00 0.00 179.25 179.74 1lfz h LEU 29 N 1.23 -0.25 -0.44 0.00 3.38 -0.79 -1.19 115.31 117.25 1lfz h LEU 29 Ca 0.32 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1lfz h LEU 29 Cb -0.02 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1lfz h LEU 29 CO -0.06 -0.15 0.06 -0.08 0.09 0.00 0.00 178.44 178.30 1lfz h GLU 30 N -0.32 0.17 -0.42 1.13 4.81 -0.96 0.14 114.58 119.12 1lfz h GLU 30 Ca -0.03 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1lfz h GLU 30 Cb 0.25 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 1lfz h GLU 30 CO 0.05 0.11 -0.02 0.00 -0.73 0.00 0.00 179.01 178.43 1lfz h ARG 31 N 0.18 0.09 0.11 1.92 3.08 -0.94 -0.04 114.38 118.77 1lfz h ARG 31 Ca 0.22 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1lfz h ARG 31 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1lfz h ARG 31 CO -0.32 0.06 -0.05 1.98 -1.07 0.00 0.00 179.97 180.57 1lfz h MET 32 N 0.09 -0.14 0.00 0.04 4.05 -0.09 0.94 114.93 119.81 1lfz h MET 32 Ca 0.21 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.62 1lfz h MET 32 Cb 0.30 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1lfz h MET 32 CO -0.36 -0.02 -0.07 0.74 0.23 0.00 0.00 176.91 177.42 1lfz h PHE 33 N -0.23 0.00 0.11 1.39 0.04 -0.41 0.94 116.94 118.79 1lfz h PHE 33 Ca -0.01 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.43 1lfz h PHE 33 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1lfz h PHE 33 CO -0.04 0.07 -1.76 -0.07 -0.60 0.00 0.00 178.31 175.91 1lfz h LEU 34 N 0.00 0.37 0.06 1.54 4.07 -0.72 -3.28 115.31 117.34 1lfz h LEU 34 Ca -0.00 -0.87 -0.00 0.00 0.08 0.00 0.00 57.88 57.09 1lfz h LEU 34 Cb 0.16 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1lfz h LEU 34 CO 0.01 1.76 -0.03 0.28 -1.08 0.00 0.00 178.44 179.38 1lfz h SER 35 N -0.16 -0.06 -2.56 -0.43 0.02 0.12 -3.38 113.55 107.11 1lfz h SER 35 Ca -0.38 -0.52 -0.63 0.00 -0.84 0.00 0.00 61.79 59.42 1lfz h SER 35 Cb 1.88 0.02 -0.40 0.00 0.14 0.00 0.00 62.40 64.04 1lfz h SER 35 CO 0.05 0.52 -0.42 0.49 -1.14 0.00 0.00 176.83 176.32 1lfz n PHE 36 N -4.85 3.50 -0.24 3.45 3.01 0.32 -4.92 117.46 117.74 1lfz n PHE 36 Ca -0.09 -4.06 0.32 0.00 1.01 0.00 0.00 57.45 54.64 1lfz n PHE 36 Cb 0.29 -0.69 0.70 0.00 -0.01 0.00 0.00 39.48 39.78 1lfz n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lfz h PRO 37 N 4.72 0.00 -0.89 -1.08 0.13 -1.67 0.63 132.00 133.84 1lfz h PRO 37 Ca 0.18 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.46 1lfz h PRO 37 Cb 0.69 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.73 1lfz h PRO 37 CO 0.86 0.00 0.50 0.00 -0.23 0.00 0.00 178.00 179.12 1lfz h THR 38 N 0.00 0.76 0.00 1.56 1.03 -1.90 -0.18 112.91 114.18 1lfz h THR 38 Ca 0.49 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.65 1lfz h THR 38 Cb 2.22 -0.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1lfz h THR 38 CO -0.01 0.13 0.00 0.71 -0.01 0.00 0.00 175.52 176.34 1lfz h THR 39 N 0.71 0.00 0.00 0.00 1.35 -1.20 -3.01 112.91 110.76 1lfz h THR 39 Ca 0.48 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.34 1lfz h THR 39 Cb 0.66 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1lfz h THR 39 CO -0.35 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.02 1lfz h LYS 40 N 0.00 0.00 -1.60 4.72 1.57 -1.20 -3.23 116.57 116.83 1lfz h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lfz h LYS 40 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1lfz h LYS 40 CO 0.00 0.02 0.00 2.41 -0.57 0.00 0.00 179.45 181.31 1lfz n THR 41 N -3.16 0.69 0.00 -0.16 -1.04 -1.14 -1.28 114.28 108.18 1lfz n THR 41 Ca -0.01 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1lfz n THR 41 Cb 0.21 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1lfz n THR 41 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1lfz n TYR 42 N 0.99 0.00 -2.45 -1.42 4.01 -1.22 -4.84 117.16 112.23 1lfz n TYR 42 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1lfz n TYR 42 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.31 1lfz n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lfz n PHE 43 N -0.60 2.88 -0.24 -0.72 3.01 -0.41 -4.83 117.46 116.55 1lfz n PHE 43 Ca 0.00 -2.90 -0.05 0.00 1.01 0.00 0.00 57.45 55.51 1lfz n PHE 43 Cb 0.00 -0.17 0.06 0.00 -0.01 0.00 0.00 39.48 39.36 1lfz n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lfz h PRO 44 N 2.59 0.86 0.00 -1.08 0.13 -1.89 0.81 132.00 133.42 1lfz h PRO 44 Ca 0.23 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1lfz h PRO 44 Cb 1.07 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1lfz h PRO 44 CO 0.76 0.57 0.00 -2.39 -0.23 0.00 0.00 178.00 176.71 1lfz n HIS 45 N -4.64 0.00 -4.20 1.56 1.44 -1.26 -4.61 115.22 103.51 1lfz n HIS 45 Ca 0.06 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.46 1lfz n HIS 45 Cb 0.04 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.07 1lfz n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lfz s PHE 46 N -2.00 3.05 -0.95 -1.40 2.99 0.28 -5.04 117.98 114.91 1lfz s PHE 46 Ca 0.13 0.04 -0.15 0.00 0.00 0.00 0.00 56.93 56.94 1lfz s PHE 46 Cb 0.06 -1.61 0.19 0.00 0.00 0.00 0.00 43.02 41.65 1lfz s PHE 46 CO 0.10 0.47 1.02 0.34 -0.00 0.00 0.00 175.22 177.15 1lfz s ASP 47 N -1.93 6.82 0.00 1.36 3.68 -1.26 -4.88 116.67 120.47 1lfz s ASP 47 Ca 0.23 -2.61 0.00 0.00 2.13 0.00 0.00 52.55 52.30 1lfz s ASP 47 Cb -0.12 -2.30 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 1lfz s ASP 47 CO 0.15 -0.74 0.00 0.18 0.13 0.00 0.00 175.17 174.89 1lfz n LEU 48 N 4.95 0.01 -4.44 -1.34 4.32 -1.26 -4.51 117.00 114.73 1lfz n LEU 48 Ca 0.22 -0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.91 1lfz n LEU 48 Cb 0.46 -0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.51 1lfz n LEU 48 CO 0.45 0.00 0.34 -0.24 -1.22 0.00 0.00 177.39 176.72 1lfz n SER 49 N 0.69 -1.87 0.23 -1.43 2.88 -1.26 -4.92 113.62 107.95 1lfz n SER 49 Ca 0.00 -0.17 0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1lfz n SER 49 Cb 0.00 -1.21 0.55 0.00 -0.75 0.00 0.00 64.21 62.80 1lfz n SER 49 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1lfz h HIS 50 N -2.62 0.00 0.00 0.66 2.76 -2.03 -3.22 115.15 110.70 1lfz h HIS 50 Ca -0.61 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.56 1lfz h HIS 50 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1lfz h HIS 50 CO 0.25 0.22 0.00 0.41 -1.30 0.00 0.00 177.93 177.51 1lfz n GLY 51 N -0.51 0.96 2.47 5.26 0.00 -1.26 -5.04 105.19 107.07 1lfz n GLY 51 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 1lfz n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lfz n SER 52 N -0.27 0.66 0.00 1.61 2.88 -1.22 -4.71 113.62 112.57 1lfz n SER 52 Ca 0.00 0.62 0.01 0.00 -1.33 0.00 0.00 58.87 58.17 1lfz n SER 52 Cb 0.16 -0.64 0.06 0.00 -0.75 0.00 0.00 64.21 63.04 1lfz n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lfz n ALA 53 N 4.52 1.72 -0.12 -1.46 0.00 -1.26 -0.98 120.51 122.93 1lfz n ALA 53 Ca 0.34 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.55 1lfz n ALA 53 Cb -0.03 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 1lfz n ALA 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1lfz n GLN 54 N -0.67 0.57 -0.19 0.00 6.02 -1.26 -3.37 117.38 118.48 1lfz n GLN 54 Ca 0.02 0.25 -0.07 0.00 -0.01 0.00 0.00 57.00 57.19 1lfz n GLN 54 Cb 0.01 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 29.82 1lfz n GLN 54 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1lfz h VAL 55 N -1.00 1.15 -0.47 5.09 2.07 -1.37 0.32 116.25 122.04 1lfz h VAL 55 Ca -0.43 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1lfz h VAL 55 Cb 1.37 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1lfz h VAL 55 CO -0.26 0.14 0.31 0.50 0.02 0.00 0.00 177.57 178.28 1lfz h LYS 56 N 0.73 0.62 -0.03 1.57 1.63 -1.28 -1.77 116.57 118.04 1lfz h LYS 56 Ca 0.20 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1lfz h LYS 56 Cb -0.06 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 1lfz h LYS 56 CO -0.04 0.42 -0.11 0.78 -3.45 0.00 0.00 179.45 177.05 1lfz h GLY 57 N 0.65 0.15 0.78 5.01 0.00 -0.97 -3.11 103.07 105.58 1lfz h GLY 57 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1lfz h GLY 57 CO -0.04 0.17 0.55 0.84 0.00 0.00 0.00 176.54 178.07 1lfz h HIS 58 N -0.43 1.03 -0.05 5.60 -0.00 -0.29 -2.69 115.15 118.32 1lfz h HIS 58 Ca -0.00 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1lfz h HIS 58 Cb 0.73 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1lfz h HIS 58 CO 0.14 0.55 -0.16 0.78 -0.00 0.00 0.00 177.93 179.24 1lfz h GLY 59 N 1.03 -1.47 -0.76 5.26 0.00 -1.35 0.54 103.07 106.33 1lfz h GLY 59 Ca 0.37 0.70 0.31 0.00 0.00 0.00 0.00 47.33 48.70 1lfz h GLY 59 CO -0.15 -0.50 0.38 0.28 0.00 0.00 0.00 176.54 176.55 1lfz n LYS 60 N -3.39 -0.05 0.06 4.80 5.02 -1.03 0.28 118.16 123.85 1lfz n LYS 60 Ca -0.02 1.05 -0.09 0.00 -2.02 0.00 0.00 58.31 57.23 1lfz n LYS 60 Cb 0.11 -1.87 -0.07 0.00 -0.02 0.00 0.00 35.03 33.18 1lfz n LYS 60 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1lfz h LYS 61 N 0.00 -0.22 -0.67 1.97 1.57 -0.59 -2.44 116.57 116.19 1lfz h LYS 61 Ca 0.63 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.51 1lfz h LYS 61 Cb 1.64 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.94 1lfz h LYS 61 CO -0.59 0.15 0.32 0.28 -0.57 0.00 0.00 179.45 179.04 1lfz h VAL 62 N -0.93 0.85 0.37 0.50 2.07 0.33 -1.54 116.25 117.90 1lfz h VAL 62 Ca -0.02 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1lfz h VAL 62 Cb 0.48 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1lfz h VAL 62 CO 0.04 0.10 -0.52 0.00 0.02 0.00 0.00 177.57 177.22 1lfz h ALA 63 N 1.41 -1.09 -0.05 1.67 0.00 -0.25 -1.00 119.26 119.94 1lfz h ALA 63 Ca 0.33 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1lfz h ALA 63 Cb 0.33 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1lfz h ALA 63 CO -0.26 -1.17 0.17 -0.44 0.00 0.00 0.00 179.25 177.56 1lfz h ASP 64 N -0.92 0.00 0.00 0.00 5.19 -0.97 -0.20 116.42 119.52 1lfz h ASP 64 Ca -0.04 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 1lfz h ASP 64 Cb 0.84 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.35 1lfz h ASP 64 CO -0.14 0.00 -0.27 0.00 -3.12 0.00 0.00 179.24 175.70 1lfz h ALA 65 N 1.70 0.03 -0.04 3.45 0.00 -0.24 0.73 119.26 124.89 1lfz h ALA 65 Ca 0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1lfz h ALA 65 Cb 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1lfz h ALA 65 CO -0.00 0.10 -0.10 -0.07 0.00 0.00 0.00 179.25 179.19 1lfz h LEU 66 N -0.50 0.05 -0.04 0.00 3.38 0.11 -0.23 115.31 118.08 1lfz h LEU 66 Ca -0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1lfz h LEU 66 Cb 1.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1lfz h LEU 66 CO 0.05 0.16 -0.28 0.74 0.09 0.00 0.00 178.44 179.20 1lfz h THR 67 N 0.05 1.47 -0.87 0.22 2.02 -1.07 0.13 112.91 114.85 1lfz h THR 67 Ca 0.01 -1.77 0.18 0.00 0.77 0.00 0.00 66.41 65.60 1lfz h THR 67 Cb 0.21 2.48 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 1lfz h THR 67 CO 0.01 0.50 0.58 -1.13 0.37 0.00 0.00 175.52 175.85 1lfz h ASN 68 N -0.30 0.44 -0.07 4.18 -0.73 -0.31 0.14 115.58 118.93 1lfz h ASN 68 Ca -0.02 0.04 -0.12 0.00 1.87 0.00 0.00 56.30 58.06 1lfz h ASN 68 Cb 0.96 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 39.51 1lfz h ASN 68 CO 0.06 0.19 -0.44 0.00 -0.37 0.00 0.00 177.43 176.87 1lfz h ALA 69 N 1.62 0.15 0.00 1.57 0.00 -0.83 -2.12 119.26 119.65 1lfz h ALA 69 Ca 0.45 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1lfz h ALA 69 Cb 1.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1lfz h ALA 69 CO -0.17 0.30 -0.14 0.28 0.00 0.00 0.00 179.25 179.51 1lfz h VAL 70 N -0.03 0.78 0.15 0.00 2.07 0.11 -1.97 116.25 117.36 1lfz h VAL 70 Ca -0.03 -0.56 -0.29 0.00 0.82 0.00 0.00 66.70 66.64 1lfz h VAL 70 Cb 1.10 1.33 0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1lfz h VAL 70 CO 0.09 0.14 -1.28 0.00 0.02 0.00 0.00 177.57 176.54 1lfz h ALA 71 N 1.86 0.04 -1.36 1.67 0.00 -0.78 -3.30 119.26 117.39 1lfz h ALA 71 Ca -0.00 -0.85 -0.68 0.00 0.00 0.00 0.00 54.91 53.38 1lfz h ALA 71 Cb 0.32 0.06 -0.35 0.00 0.00 0.00 0.00 17.79 17.82 1lfz h ALA 71 CO 0.02 0.86 0.13 0.72 0.00 0.00 0.00 179.25 180.98 1lfz n HIS 72 N -3.62 3.25 0.09 0.00 8.25 -0.80 -4.80 115.22 117.59 1lfz n HIS 72 Ca -0.11 -2.83 -0.13 0.00 -0.26 0.00 0.00 57.72 54.39 1lfz n HIS 72 Cb 1.03 -0.64 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 1lfz n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1lfz h VAL 73 N 2.35 0.84 0.00 1.59 3.04 -1.45 -0.91 116.25 121.71 1lfz h VAL 73 Ca 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 1lfz h VAL 73 Cb 0.48 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1lfz h VAL 73 CO 1.11 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.14 1lfz n ASP 74 N -5.18 0.07 0.00 3.17 10.43 -1.26 -3.81 116.55 119.97 1lfz n ASP 74 Ca -0.08 -0.57 0.00 0.00 2.57 0.00 0.00 54.79 56.71 1lfz n ASP 74 Cb 0.11 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.04 1lfz n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1lfz n ASP 75 N -0.30 0.00 -0.03 -2.24 4.64 -0.44 -5.03 116.55 113.15 1lfz n ASP 75 Ca 0.00 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.28 1lfz n ASP 75 Cb 0.02 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 39.96 1lfz n ASP 75 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 1lfz n MET 76 N 0.00 0.68 -0.04 -0.67 0.00 -0.65 -4.24 117.12 112.19 1lfz n MET 76 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 57.70 57.90 1lfz n MET 76 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 33.22 31.48 1lfz n MET 76 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1lfz h PRO 77 N 0.02 -0.07 0.00 0.03 0.13 -1.92 0.81 132.00 131.00 1lfz h PRO 77 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1lfz h PRO 77 Cb 2.04 0.02 0.00 0.00 0.13 0.00 0.00 31.00 33.19 1lfz h PRO 77 CO 0.06 -0.05 0.00 -1.71 -0.23 0.00 0.00 178.00 176.07 1lfz n ASN 78 N -3.37 0.00 -0.11 1.44 5.15 -1.26 -0.51 115.26 116.60 1lfz n ASN 78 Ca -0.01 -0.06 -0.20 0.00 -0.60 0.00 0.00 54.58 53.71 1lfz n ASN 78 Cb 0.08 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.24 1lfz n ASN 78 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lfz n ALA 79 N -0.92 1.55 0.92 5.20 0.00 0.23 -4.64 120.51 122.85 1lfz n ALA 79 Ca 0.01 -0.90 0.11 0.00 0.00 0.00 0.00 53.44 52.67 1lfz n ALA 79 Cb 0.00 0.12 0.08 0.00 0.00 0.00 0.00 19.45 19.66 1lfz n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1lfz n LEU 80 N -3.62 0.69 0.28 0.00 4.77 0.19 -3.89 117.00 115.42 1lfz n LEU 80 Ca -0.41 -0.17 0.09 0.00 -0.03 0.00 0.00 56.01 55.49 1lfz n LEU 80 Cb 0.85 -0.14 0.51 0.00 -2.33 0.00 0.00 43.42 42.31 1lfz n LEU 80 CO 0.11 0.15 1.00 0.77 -1.33 0.00 0.00 177.39 178.09 1lfz h SER 81 N 0.00 0.00 0.44 -1.43 4.64 -0.99 3.58 113.55 119.79 1lfz h SER 81 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1lfz h SER 81 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1lfz h SER 81 CO 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.75 1lfz h ALA 82 N 0.97 -0.59 -0.15 5.18 0.00 -1.83 -2.31 119.26 120.53 1lfz h ALA 82 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1lfz h ALA 82 Cb 0.95 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1lfz h ALA 82 CO 0.00 -0.76 -0.57 -0.07 0.00 0.00 0.00 179.25 177.84 1lfz h LEU 83 N -0.72 0.77 -0.72 0.00 3.38 0.58 -3.10 115.31 115.50 1lfz h LEU 83 Ca -0.06 -0.61 0.12 0.00 0.09 0.00 0.00 57.88 57.42 1lfz h LEU 83 Cb 0.51 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 1lfz h LEU 83 CO 0.10 1.25 -0.33 0.28 0.09 0.00 0.00 178.44 179.83 1lfz h SER 84 N 0.33 -1.16 0.04 -0.43 0.02 0.17 1.05 113.55 113.57 1lfz h SER 84 Ca -0.03 0.25 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1lfz h SER 84 Cb 1.20 0.61 -0.03 0.00 0.14 0.00 0.00 62.40 64.32 1lfz h SER 84 CO 0.12 -0.29 -0.20 0.44 -1.14 0.00 0.00 176.83 175.76 1lfz h ASP 85 N -0.10 -0.57 0.26 3.07 3.45 -1.46 0.70 116.42 121.77 1lfz h ASP 85 Ca 0.28 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.81 1lfz h ASP 85 Cb 0.57 0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 1lfz h ASP 85 CO -0.77 -0.27 -0.22 0.25 -1.57 0.00 0.00 179.24 176.66 1lfz h LEU 86 N -0.34 -0.58 -0.79 1.55 6.46 -0.66 -0.68 115.31 120.27 1lfz h LEU 86 Ca 0.04 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 57.97 1lfz h LEU 86 Cb 0.39 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.42 1lfz h LEU 86 CO -0.15 -0.30 0.41 0.45 -0.62 0.00 0.00 178.44 178.22 1lfz h HIS 87 N -0.47 0.72 0.00 1.25 3.86 0.11 -1.19 115.15 119.43 1lfz h HIS 87 Ca -0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1lfz h HIS 87 Cb 0.39 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1lfz h HIS 87 CO -0.09 0.22 0.00 0.00 0.86 0.00 0.00 177.93 178.92 1lfz n ALA 88 N -2.42 0.00 -0.31 2.45 0.00 0.24 -2.19 120.51 118.29 1lfz n ALA 88 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1lfz n ALA 88 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 1lfz n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfz n HIS 89 N 0.00 -0.13 0.01 0.00 8.25 -0.29 -1.11 115.22 121.96 1lfz n HIS 89 Ca 0.00 0.96 -0.01 0.00 -0.26 0.00 0.00 57.72 58.41 1lfz n HIS 89 Cb 0.00 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.42 1lfz n HIS 89 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1lfz h LYS 90 N 0.00 -0.04 0.00 -0.41 3.64 -1.10 -3.38 116.57 115.28 1lfz h LYS 90 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1lfz h LYS 90 Cb 0.40 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1lfz h LYS 90 CO -0.75 -0.02 0.00 -0.07 -2.27 0.00 0.00 179.45 176.34 1lfz h LEU 91 N -0.15 0.00 -3.16 5.20 3.38 -1.32 -3.48 115.31 115.79 1lfz h LEU 91 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1lfz h LEU 91 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1lfz h LEU 91 CO 0.01 0.00 -0.69 0.54 0.09 0.00 0.00 178.44 178.39 1lfz n ARG 92 N -2.34 -1.56 -3.38 1.13 5.12 -0.26 -4.89 116.66 110.48 1lfz n ARG 92 Ca 0.01 1.17 -0.38 0.00 -1.93 0.00 0.00 57.85 56.71 1lfz n ARG 92 Cb 0.18 -3.69 -0.08 0.00 -1.16 0.00 0.00 32.46 27.71 1lfz n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1lfz s VAL 93 N -2.83 5.18 0.10 1.55 1.01 -0.93 -5.02 120.40 119.47 1lfz s VAL 93 Ca 0.05 0.69 -0.33 0.00 0.00 0.00 0.00 61.98 62.39 1lfz s VAL 93 Cb -0.01 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 1lfz s VAL 93 CO 0.84 0.22 1.71 -0.67 0.00 0.00 0.00 175.10 177.19 1lfz n ASP 94 N 4.77 3.45 -0.29 3.32 -0.08 -1.26 -4.87 116.55 121.58 1lfz n ASP 94 Ca -0.08 1.04 0.04 0.00 -1.51 0.00 0.00 54.79 54.27 1lfz n ASP 94 Cb 0.51 -1.45 0.18 0.00 2.34 0.00 0.00 41.12 42.70 1lfz n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lfz h PRO 95 N 7.29 0.75 -1.02 -0.67 0.11 -2.00 -1.93 132.00 134.54 1lfz h PRO 95 Ca -0.46 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 65.85 1lfz h PRO 95 Cb 1.25 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.08 1lfz h PRO 95 CO 0.92 0.49 0.63 -0.24 -0.21 0.00 0.00 178.00 179.60 1lfz h VAL 96 N 0.77 0.55 -0.02 3.15 3.04 -2.02 0.43 116.25 122.16 1lfz h VAL 96 Ca 0.41 -0.17 0.01 0.00 -1.01 0.00 0.00 66.70 65.93 1lfz h VAL 96 Cb 0.42 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.69 1lfz h VAL 96 CO -0.27 0.09 0.16 0.78 -1.01 0.00 0.00 177.57 177.32 1lfz h ASN 97 N 0.51 0.00 0.95 3.17 -0.26 -1.72 0.85 115.58 119.09 1lfz h ASN 97 Ca 0.61 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.35 1lfz h ASN 97 Cb 1.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 1lfz h ASN 97 CO -0.37 0.00 -0.12 0.49 -1.06 0.00 0.00 177.43 176.37 1lfz n PHE 98 N -3.08 0.13 -0.06 1.19 3.72 0.15 -2.42 117.46 117.10 1lfz n PHE 98 Ca -0.02 0.04 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1lfz n PHE 98 Cb 0.22 -0.51 -0.01 0.00 -0.94 0.00 0.00 39.48 38.25 1lfz n PHE 98 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1lfz h LYS 99 N 0.00 0.00 -0.72 -1.08 1.57 0.67 -3.03 116.57 113.98 1lfz h LYS 99 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1lfz h LYS 99 Cb 0.54 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.72 1lfz h LYS 99 CO 0.00 0.00 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.48 1lfz h LEU 100 N -0.94 -1.18 0.78 2.94 3.38 -1.54 0.22 115.31 118.97 1lfz h LEU 100 Ca 0.00 0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1lfz h LEU 100 Cb 0.22 0.61 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1lfz h LEU 100 CO 0.00 -0.29 -0.48 0.25 0.09 0.00 0.00 178.44 178.00 1lfz h LEU 101 N -0.10 -1.21 -0.73 1.67 5.85 -1.66 -0.37 115.31 118.76 1lfz h LEU 101 Ca 0.28 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1lfz h LEU 101 Cb 0.57 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1lfz h LEU 101 CO -0.77 -0.74 0.51 0.28 -0.34 0.00 0.00 178.44 177.38 1lfz h SER 102 N -1.19 0.00 0.00 1.25 0.02 -0.91 0.21 113.55 112.93 1lfz h SER 102 Ca -0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1lfz h SER 102 Cb 0.95 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1lfz h SER 102 CO 0.11 0.00 -0.26 -0.74 -1.14 0.00 0.00 176.83 174.80 1lfz h HIS 103 N 0.00 0.00 -0.58 3.45 -0.00 0.10 -3.23 115.15 114.89 1lfz h HIS 103 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 1lfz h HIS 103 Cb 1.02 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.41 1lfz h HIS 103 CO 0.00 0.21 0.41 0.00 -0.00 0.00 0.00 177.93 178.55 1lfz h LEU 105 N 0.08 0.57 -0.33 0.00 5.85 -1.05 0.14 115.31 120.58 1lfz h LEU 105 Ca 0.28 -0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.69 1lfz h LEU 105 Cb 0.98 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1lfz h LEU 105 CO -0.02 0.52 -0.70 -0.07 -0.34 0.00 0.00 178.44 177.82 1lfz h LEU 106 N 0.57 0.72 -1.00 2.25 3.38 -0.36 -0.68 115.31 120.18 1lfz h LEU 106 Ca 0.15 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1lfz h LEU 106 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1lfz h LEU 106 CO -0.02 1.21 0.21 0.58 0.09 0.00 0.00 178.44 180.51 1lfz h VAL 107 N 0.43 1.23 0.10 1.22 2.07 -0.66 0.15 116.25 120.79 1lfz h VAL 107 Ca -0.03 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1lfz h VAL 107 Cb 1.30 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1lfz h VAL 107 CO 0.13 0.30 -0.05 0.74 0.02 0.00 0.00 177.57 178.72 1lfz h THR 108 N 0.91 1.11 -0.99 2.57 2.02 -0.58 -2.00 112.91 115.95 1lfz h THR 108 Ca 0.21 -0.81 0.06 0.00 0.77 0.00 0.00 66.41 66.63 1lfz h THR 108 Cb 0.23 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 1lfz h THR 108 CO -0.01 0.20 0.64 -0.07 0.37 0.00 0.00 175.52 176.65 1lfz h LEU 109 N -0.51 1.04 -1.38 2.58 4.07 -0.91 -1.45 115.31 118.76 1lfz h LEU 109 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1lfz h LEU 109 Cb 0.42 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1lfz h LEU 109 CO 0.02 0.68 0.26 0.00 -1.08 0.00 0.00 178.44 178.32 1lfz h ALA 110 N 1.44 1.53 -0.18 1.53 0.00 -0.55 -0.27 119.26 122.76 1lfz h ALA 110 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1lfz h ALA 110 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1lfz h ALA 110 CO -0.16 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1lfz n ALA 111 N -2.46 2.49 0.00 0.00 0.00 -0.56 -3.99 120.51 115.99 1lfz n ALA 111 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1lfz n ALA 111 Cb 0.10 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1lfz n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfz n HIS 112 N 0.03 0.00 -3.70 0.00 -0.00 -0.95 -4.92 115.22 105.67 1lfz n HIS 112 Ca 0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.50 1lfz n HIS 112 Cb 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.08 1lfz n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lfz n LEU 113 N -0.90 3.64 0.00 2.41 4.77 -0.15 -4.89 117.00 121.87 1lfz n LEU 113 Ca 0.00 -5.24 -0.13 0.00 -0.03 0.00 0.00 56.01 50.61 1lfz n LEU 113 Cb 0.14 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 1lfz n LEU 113 CO 0.00 1.76 0.34 1.55 -1.33 0.00 0.00 177.39 179.71 1lfz h PRO 114 N 5.32 0.64 -0.11 3.23 0.13 -1.83 -2.82 132.00 136.56 1lfz h PRO 114 Ca 0.16 -0.49 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1lfz h PRO 114 Cb 0.74 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1lfz h PRO 114 CO 0.80 1.11 0.05 0.00 -0.23 0.00 0.00 178.00 179.73 1lfz h ALA 115 N 0.75 0.14 -0.36 -0.56 0.00 -1.94 -3.31 119.26 113.99 1lfz h ALA 115 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lfz h ALA 115 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1lfz h ALA 115 CO 0.14 -0.28 0.00 -0.85 0.00 0.00 0.00 179.25 178.26 1lfz n GLU 116 N -4.92 2.42 -0.76 0.00 0.00 -1.25 -4.54 120.64 111.58 1lfz n GLU 116 Ca -0.05 -2.14 -0.07 0.00 0.00 0.00 0.00 57.16 54.90 1lfz n GLU 116 Cb 0.11 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.00 1lfz n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1lfz n PHE 117 N 1.35 0.29 -1.09 -1.84 7.35 -1.06 -4.72 117.46 117.74 1lfz n PHE 117 Ca 0.19 -1.33 -0.34 0.00 -0.76 0.00 0.00 57.45 55.22 1lfz n PHE 117 Cb 0.57 -0.93 0.12 0.00 0.35 0.00 0.00 39.48 39.59 1lfz n PHE 117 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1lfz n THR 118 N 1.60 1.71 -0.10 -2.13 -2.24 -1.26 -4.54 114.28 107.32 1lfz n THR 118 Ca 0.19 -0.23 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1lfz n THR 118 Cb 0.63 -1.04 0.47 0.00 -2.10 0.00 0.00 70.33 68.29 1lfz n THR 118 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1lfz h PRO 119 N -0.91 0.47 0.14 -0.78 0.11 -1.98 0.14 132.00 129.19 1lfz h PRO 119 Ca -0.46 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1lfz h PRO 119 Cb 1.31 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1lfz h PRO 119 CO 0.44 0.31 -0.26 0.00 -0.21 0.00 0.00 178.00 178.27 1lfz h ALA 120 N 1.68 -0.47 0.86 -0.75 0.00 -1.95 -0.13 119.26 118.51 1lfz h ALA 120 Ca 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1lfz h ALA 120 Cb 0.47 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1lfz h ALA 120 CO -0.08 -0.81 -0.42 0.28 0.00 0.00 0.00 179.25 178.22 1lfz h VAL 121 N -0.49 0.05 -0.67 0.00 2.07 -1.57 -0.44 116.25 115.20 1lfz h VAL 121 Ca 0.02 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1lfz h VAL 121 Cb 0.50 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 1lfz h VAL 121 CO -0.14 0.00 -0.32 1.57 0.02 0.00 0.00 177.57 178.70 1lfz n HIS 122 N -5.55 -0.13 0.15 1.57 -0.00 0.40 0.34 115.22 112.00 1lfz n HIS 122 Ca -0.15 0.83 -0.14 0.00 -0.00 0.00 0.00 57.72 58.26 1lfz n HIS 122 Cb 0.46 -0.66 -0.08 0.00 -0.00 0.00 0.00 29.99 29.71 1lfz n HIS 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1lfz h ALA 123 N 0.64 -0.36 -0.40 1.57 0.00 -0.97 0.16 119.26 119.90 1lfz h ALA 123 Ca 0.17 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1lfz h ALA 123 Cb 0.34 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1lfz h ALA 123 CO -0.65 -0.61 -0.20 0.77 0.00 0.00 0.00 179.25 178.57 1lfz h SER 124 N -0.55 -0.67 -0.09 0.00 0.02 0.23 -1.98 113.55 110.51 1lfz h SER 124 Ca -0.04 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1lfz h SER 124 Cb 0.40 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1lfz h SER 124 CO 0.06 -0.23 -0.07 0.25 -1.14 0.00 0.00 176.83 175.71 1lfz h LEU 125 N -0.13 -0.21 -0.22 5.07 5.85 0.58 -2.48 115.31 123.78 1lfz h LEU 125 Ca 0.19 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1lfz h LEU 125 Cb 0.43 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1lfz h LEU 125 CO -0.48 -0.09 -0.48 -0.78 -0.34 0.00 0.00 178.44 176.28 1lfz h ASP 126 N -0.07 -1.55 -0.95 1.25 1.82 0.03 0.14 116.42 117.09 1lfz h ASP 126 Ca 0.06 0.19 0.25 0.00 -0.39 0.00 0.00 57.03 57.14 1lfz h ASP 126 Cb 0.16 0.62 -0.17 0.00 0.68 0.00 0.00 39.33 40.61 1lfz h ASP 126 CO -0.14 -0.39 0.00 0.11 -1.61 0.00 0.00 179.24 177.22 1lfz h LYS 127 N -0.44 0.03 0.32 0.28 1.57 -1.18 0.54 116.57 117.69 1lfz h LYS 127 Ca 0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1lfz h LYS 127 Cb 0.56 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1lfz h LYS 127 CO -0.44 0.02 -0.47 0.35 -0.57 0.00 0.00 179.45 178.34 1lfz h PHE 128 N 0.03 -1.31 -0.12 -1.35 3.57 -0.29 1.22 116.94 118.69 1lfz h PHE 128 Ca 0.55 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.08 1lfz h PHE 128 Cb 1.09 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1lfz h PHE 128 CO -0.51 -0.60 0.08 -0.07 -2.23 0.00 0.00 178.31 174.98 1lfz h LEU 129 N -0.84 0.13 -0.36 0.59 3.38 -0.18 0.43 115.31 118.46 1lfz h LEU 129 Ca -0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1lfz h LEU 129 Cb 0.78 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1lfz h LEU 129 CO -0.15 0.10 0.13 0.00 0.09 0.00 0.00 178.44 178.61 1lfz h ALA 130 N 1.93 0.47 -0.22 1.53 0.00 0.18 0.28 119.26 123.42 1lfz h ALA 130 Ca 0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1lfz h ALA 130 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1lfz h ALA 130 CO -0.01 0.09 -0.30 0.77 0.00 0.00 0.00 179.25 179.80 1lfz h SER 131 N 0.43 0.45 0.76 0.00 0.02 0.36 0.38 113.55 115.94 1lfz h SER 131 Ca 0.12 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1lfz h SER 131 Cb 0.22 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.64 1lfz h SER 131 CO -0.01 0.74 -0.36 0.58 -1.14 0.00 0.00 176.83 176.63 1lfz h VAL 132 N 0.39 0.00 -0.48 2.27 2.07 0.37 -1.95 116.25 118.91 1lfz h VAL 132 Ca 0.05 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1lfz h VAL 132 Cb 0.72 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1lfz h VAL 132 CO 0.06 0.00 -0.41 0.28 0.02 0.00 0.00 177.57 177.51 1lfz h SER 133 N -1.24 -1.40 -0.97 0.57 0.02 -0.39 0.18 113.55 110.32 1lfz h SER 133 Ca -0.10 0.23 0.15 0.00 -0.84 0.00 0.00 61.79 61.22 1lfz h SER 133 Cb 0.78 0.63 -0.15 0.00 0.14 0.00 0.00 62.40 63.79 1lfz h SER 133 CO 0.17 -0.35 -0.40 0.74 -1.14 0.00 0.00 176.83 175.85 1lfz h THR 134 N -0.27 0.01 -0.23 -2.27 2.02 -0.90 0.80 112.91 112.06 1lfz h THR 134 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1lfz h THR 134 Cb 0.57 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1lfz h THR 134 CO -0.62 0.00 0.07 0.58 0.37 0.00 0.00 175.52 175.92 1lfz h VAL 135 N -0.01 1.19 0.00 3.16 2.07 -0.25 1.22 116.25 123.63 1lfz h VAL 135 Ca 0.33 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1lfz h VAL 135 Cb 0.58 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1lfz h VAL 135 CO -0.97 0.20 -0.00 -0.07 0.02 0.00 0.00 177.57 176.75 1lfz h LEU 136 N 0.21 0.00 -0.74 2.57 3.38 0.24 0.14 115.31 121.10 1lfz h LEU 136 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lfz h LEU 136 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1lfz h LEU 136 CO -0.00 0.00 -0.32 0.35 0.09 0.00 0.00 178.44 178.56 1lfz n THR 137 N -3.36 0.00 0.30 0.22 -2.24 0.24 -4.28 114.28 105.16 1lfz n THR 137 Ca -0.03 -0.34 0.16 0.00 -2.27 0.00 0.00 64.05 61.57 1lfz n THR 137 Cb 0.08 1.15 0.96 0.00 -2.10 0.00 0.00 70.33 70.41 1lfz n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1lfz h SER 138 N 1.37 0.00 -0.18 3.42 4.64 0.44 0.30 113.55 123.53 1lfz h SER 138 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1lfz h SER 138 Cb 0.45 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.49 1lfz h SER 138 CO 0.00 0.00 0.13 1.17 -0.87 0.00 0.00 176.83 177.26 1lfz n LYS 139 N -3.73 1.24 0.00 4.77 3.00 -1.25 -2.03 118.16 120.16 1lfz n LYS 139 Ca -0.03 -0.56 0.00 0.00 -0.00 0.00 0.00 58.31 57.72 1lfz n LYS 139 Cb 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 33.90 1lfz n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lfz n TYR 140 N 0.30 0.00 1.21 5.64 0.53 0.09 -4.58 117.16 120.36 1lfz n TYR 140 Ca 0.11 0.00 0.10 0.00 -1.02 0.00 0.00 57.90 57.09 1lfz n TYR 140 Cb 0.70 0.00 0.58 0.00 -1.03 0.00 0.00 39.34 39.58 1lfz n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38