#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zlu n LEU 2 N 0.00 0.00 -4.88 1.34 7.94 -1.26 -4.43 117.00 115.71 2zlu n LEU 2 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 2zlu n LEU 2 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 2zlu n LEU 2 CO 0.00 0.00 0.66 -0.94 -1.11 0.00 0.00 177.39 176.00 2zlu s SER 3 N 0.00 6.16 0.22 1.96 1.04 -1.26 -4.90 113.70 116.92 2zlu s SER 3 Ca 0.00 1.27 -0.09 0.00 0.48 0.00 0.00 55.95 57.62 2zlu s SER 3 Cb 0.00 -2.36 0.20 0.00 0.10 0.00 0.00 66.02 63.96 2zlu s SER 3 CO 0.00 -0.85 1.89 0.00 0.98 0.00 0.00 173.24 175.26 2zlu h ALA 4 N -0.23 1.06 -0.54 5.32 0.00 -2.00 -1.45 119.26 121.43 2zlu h ALA 4 Ca -0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2zlu h ALA 4 Cb 1.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2zlu h ALA 4 CO 0.62 0.44 0.09 0.00 0.00 0.00 0.00 179.25 180.40 2zlu h ALA 5 N 1.31 1.14 -0.31 0.00 0.00 -1.99 -1.59 119.26 117.81 2zlu h ALA 5 Ca 0.31 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2zlu h ALA 5 Cb -0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2zlu h ALA 5 CO -0.07 0.57 -0.37 -0.44 0.00 0.00 0.00 179.25 178.94 2zlu h ASP 6 N 0.81 0.75 -0.54 0.00 3.32 -1.78 -1.09 116.42 117.89 2zlu h ASP 6 Ca 0.17 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2zlu h ASP 6 Cb 0.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2zlu h ASP 6 CO 0.01 1.04 0.08 0.11 -1.72 0.00 0.00 179.24 178.76 2zlu h LYS 7 N 0.59 0.90 0.08 3.56 1.57 -1.02 0.07 116.57 122.33 2zlu h LYS 7 Ca 0.06 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2zlu h LYS 7 Cb 0.90 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2zlu h LYS 7 CO 0.08 0.88 -0.06 1.15 -0.57 0.00 0.00 179.45 180.93 2zlu h THR 8 N 0.79 0.87 -0.69 -0.16 2.02 -1.18 -1.52 112.91 113.04 2zlu h THR 8 Ca 0.16 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 2zlu h THR 8 Cb 0.42 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 2zlu h THR 8 CO 0.01 0.00 0.37 0.78 0.37 0.00 0.00 175.52 177.05 2zlu h ASN 9 N -0.15 0.52 -0.22 4.18 -0.26 -0.92 -1.66 115.58 117.07 2zlu h ASN 9 Ca -0.00 0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 2zlu h ASN 9 Cb 0.13 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 2zlu h ASN 9 CO -0.00 0.32 -0.14 0.58 -1.06 0.00 0.00 177.43 177.13 2zlu h VAL 10 N 0.66 1.31 -0.77 2.81 2.07 -0.81 0.15 116.25 121.66 2zlu h VAL 10 Ca 0.32 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2zlu h VAL 10 Cb 0.27 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2zlu h VAL 10 CO -0.22 0.38 0.42 0.11 0.02 0.00 0.00 177.57 178.28 2zlu h LYS 11 N 0.18 1.08 -0.28 1.57 1.57 -1.21 -1.87 116.57 117.61 2zlu h LYS 11 Ca 0.05 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2zlu h LYS 11 Cb 0.65 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2zlu h LYS 11 CO 0.04 0.80 0.04 0.00 -0.57 0.00 0.00 179.45 179.76 2zlu h ALA 12 N 1.22 0.38 -0.40 3.86 0.00 -1.12 -2.21 119.26 120.99 2zlu h ALA 12 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2zlu h ALA 12 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2zlu h ALA 12 CO -0.04 0.07 0.19 0.00 0.00 0.00 0.00 179.25 179.46 2zlu h ALA 13 N 0.87 0.51 0.00 0.00 0.00 -0.60 -3.00 119.26 117.04 2zlu h ALA 13 Ca 0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2zlu h ALA 13 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2zlu h ALA 13 CO 0.01 0.08 -0.29 2.35 0.00 0.00 0.00 179.25 181.39 2zlu h TRP 14 N 0.50 0.00 -0.20 0.00 2.91 -1.31 -1.29 115.95 116.55 2zlu h TRP 14 Ca 0.14 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.14 2zlu h TRP 14 Cb 0.13 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 2zlu h TRP 14 CO -0.01 0.29 0.05 0.66 -1.03 0.00 0.00 178.44 178.41 2zlu h SER 15 N 0.00 0.25 0.87 2.65 4.64 -1.25 -0.48 113.55 120.23 2zlu h SER 15 Ca -0.00 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 2zlu h SER 15 Cb 0.58 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2zlu h SER 15 CO 0.04 0.26 -0.68 0.11 -0.87 0.00 0.00 176.83 175.69 2zlu h LYS 16 N 0.28 0.00 0.05 4.77 6.56 -1.19 -3.18 116.57 123.87 2zlu h LYS 16 Ca 0.07 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2zlu h LYS 16 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2zlu h LYS 16 CO -0.00 0.68 -0.03 0.28 -2.06 0.00 0.00 179.45 178.32 2zlu h VAL 17 N 0.00 1.15 0.00 0.50 2.07 -1.00 -3.47 116.25 115.51 2zlu h VAL 17 Ca -0.01 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2zlu h VAL 17 Cb 1.30 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2zlu h VAL 17 CO 0.09 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.46 2zlu n GLY 18 N -0.29 4.05 0.00 2.17 0.00 -0.24 -1.79 105.19 109.09 2zlu n GLY 18 Ca -0.08 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.13 2zlu n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zlu n GLY 19 N 0.00 -1.11 0.43 -0.02 0.00 -1.26 -3.40 105.19 99.83 2zlu n GLY 19 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.99 2zlu n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2zlu n HIS 20 N -1.15 0.02 -0.34 1.61 -0.00 -0.74 -4.36 115.22 110.26 2zlu n HIS 20 Ca 0.18 -0.01 0.09 0.00 -0.00 0.00 0.00 57.72 57.98 2zlu n HIS 20 Cb 0.17 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.45 2zlu n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2zlu h ALA 21 N 4.28 1.63 -0.19 -1.41 0.00 -1.72 -0.63 119.26 121.21 2zlu h ALA 21 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2zlu h ALA 21 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2zlu h ALA 21 CO 0.00 0.10 -0.05 0.78 0.00 0.00 0.00 179.25 180.08 2zlu h GLY 22 N 0.88 0.39 0.73 0.00 0.00 -1.81 -0.27 103.07 103.00 2zlu h GLY 22 Ca 0.50 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.55 2zlu h GLY 22 CO -0.27 0.30 0.25 0.83 0.00 0.00 0.00 176.54 177.65 2zlu h GLU 23 N 0.07 0.47 -0.39 4.80 5.08 -1.70 -1.94 114.58 120.98 2zlu h GLU 23 Ca 0.05 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2zlu h GLU 23 Cb 0.50 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2zlu h GLU 23 CO 0.02 0.31 -0.26 1.88 -1.00 0.00 0.00 179.01 179.96 2zlu h TYR 24 N 0.49 0.93 -0.52 4.33 0.99 -1.06 -1.72 116.97 120.41 2zlu h TYR 24 Ca 0.22 -0.23 0.10 0.00 2.00 0.00 0.00 58.73 60.82 2zlu h TYR 24 Cb 0.13 -0.22 -0.08 0.00 1.00 0.00 0.00 36.73 37.56 2zlu h TYR 24 CO -0.10 0.98 0.07 0.78 -0.00 0.00 0.00 178.16 179.89 2zlu h GLY 25 N 0.94 0.61 0.93 3.88 0.00 -0.77 0.73 103.07 109.38 2zlu h GLY 25 Ca 0.09 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 2zlu h GLY 25 CO 0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 176.54 176.42 2zlu h ALA 26 N 1.43 0.47 -0.70 3.60 0.00 -1.19 -2.35 119.26 120.52 2zlu h ALA 26 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2zlu h ALA 26 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2zlu h ALA 26 CO -0.38 0.31 0.36 1.49 0.00 0.00 0.00 179.25 181.02 2zlu h GLU 27 N 0.44 0.99 -0.67 0.00 4.81 -0.89 -2.06 114.58 117.20 2zlu h GLU 27 Ca 0.09 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2zlu h GLU 27 Cb 0.58 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2zlu h GLU 27 CO 0.03 0.76 0.35 0.00 -0.73 0.00 0.00 179.01 179.42 2zlu h ALA 28 N 1.17 0.85 -0.83 2.92 0.00 -0.79 -0.72 119.26 121.86 2zlu h ALA 28 Ca 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2zlu h ALA 28 Cb 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2zlu h ALA 28 CO -0.03 0.39 0.55 -0.07 0.00 0.00 0.00 179.25 180.08 2zlu h LEU 29 N 0.91 0.94 -0.22 0.00 3.38 -1.12 -0.60 115.31 118.61 2zlu h LEU 29 Ca 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2zlu h LEU 29 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2zlu h LEU 29 CO -0.03 0.67 0.12 -0.08 0.09 0.00 0.00 178.44 179.20 2zlu h GLU 30 N 1.11 0.30 -0.88 1.13 4.81 -0.89 -0.59 114.58 119.57 2zlu h GLU 30 Ca 0.31 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2zlu h GLU 30 Cb -0.10 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 2zlu h GLU 30 CO -0.08 0.29 0.56 0.00 -0.73 0.00 0.00 179.01 179.05 2zlu h ARG 31 N 0.24 1.05 0.31 1.92 3.08 -0.91 -2.32 114.38 117.74 2zlu h ARG 31 Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2zlu h ARG 31 Cb 0.07 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2zlu h ARG 31 CO -0.01 0.69 -0.15 1.98 -1.07 0.00 0.00 179.97 181.41 2zlu h MET 32 N 1.08 -0.40 -0.83 0.04 4.05 -0.73 -0.65 114.93 117.49 2zlu h MET 32 Ca 0.36 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.88 2zlu h MET 32 Cb 0.05 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.87 2zlu h MET 32 CO -0.13 -0.23 0.49 0.74 0.23 0.00 0.00 176.91 178.00 2zlu h PHE 33 N -0.45 0.89 -0.02 1.39 0.04 -0.96 0.14 116.94 117.97 2zlu h PHE 33 Ca -0.04 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 2zlu h PHE 33 Cb 0.34 -0.28 0.01 0.00 2.20 0.00 0.00 35.95 38.23 2zlu h PHE 33 CO -0.04 0.40 -0.54 -0.07 -0.60 0.00 0.00 178.31 177.46 2zlu h LEU 34 N 0.85 0.50 -0.38 1.54 4.07 -1.39 -3.20 115.31 117.31 2zlu h LEU 34 Ca 0.38 -0.74 -0.17 0.00 0.08 0.00 0.00 57.88 57.43 2zlu h LEU 34 Cb 0.28 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2zlu h LEU 34 CO -0.21 1.17 -0.80 1.23 -1.08 0.00 0.00 178.44 178.75 2zlu h GLY 35 N -0.12 0.00 -6.31 0.83 0.00 -1.02 -3.39 103.07 93.06 2zlu h GLY 35 Ca -0.06 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.68 2zlu h GLY 35 CO 0.11 0.00 -0.93 0.69 0.00 0.00 0.00 176.54 176.40 2zlu n PHE 36 N -3.57 0.24 0.29 5.60 3.01 0.03 -5.02 117.46 118.03 2zlu n PHE 36 Ca -0.01 -3.60 0.18 0.00 1.01 0.00 0.00 57.45 55.03 2zlu n PHE 36 Cb 0.77 -0.14 0.92 0.00 -0.01 0.00 0.00 39.48 41.02 2zlu n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2zlu h PRO 37 N 4.90 0.00 -0.80 -1.08 0.11 -1.75 -1.94 132.00 131.44 2zlu h PRO 37 Ca 0.18 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.49 2zlu h PRO 37 Cb 0.85 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.92 2zlu h PRO 37 CO 0.49 0.00 0.55 1.15 -0.21 0.00 0.00 178.00 179.98 2zlu h THR 38 N 0.00 0.68 0.00 -1.15 2.02 -1.92 -2.55 112.91 109.99 2zlu h THR 38 Ca 0.04 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 2zlu h THR 38 Cb 0.50 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2zlu h THR 38 CO -0.00 0.04 -0.17 0.71 0.37 0.00 0.00 175.52 176.47 2zlu h THR 39 N 0.23 0.43 -0.01 3.16 1.35 -1.68 -2.96 112.91 113.43 2zlu h THR 39 Ca 0.40 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2zlu h THR 39 Cb 1.20 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2zlu h THR 39 CO -0.09 0.17 0.08 0.11 -0.25 0.00 0.00 175.52 175.54 2zlu h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.67 -2.84 116.57 118.35 2zlu h LYS 40 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2zlu h LYS 40 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2zlu h LYS 40 CO 0.02 0.00 -0.07 1.15 -0.57 0.00 0.00 179.45 179.98 2zlu h THR 41 N 0.00 0.41 -0.00 -0.16 2.02 -1.73 -1.61 112.91 111.84 2zlu h THR 41 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2zlu h THR 41 Cb 0.17 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2zlu h THR 41 CO -0.00 0.07 -0.18 -1.22 0.37 0.00 0.00 175.52 174.56 2zlu n TYR 42 N -3.52 0.00 -2.51 3.16 4.01 -1.07 -4.27 117.16 112.96 2zlu n TYR 42 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 2zlu n TYR 42 Cb 0.20 -0.27 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 2zlu n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2zlu n PHE 43 N -1.19 2.51 0.15 -0.72 3.01 -0.60 -4.88 117.46 115.74 2zlu n PHE 43 Ca 0.11 -2.87 0.04 0.00 1.01 0.00 0.00 57.45 55.73 2zlu n PHE 43 Cb 0.31 -0.21 0.45 0.00 -0.01 0.00 0.00 39.48 40.02 2zlu n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2zlu h PRO 44 N 2.68 0.18 -0.06 -1.08 0.11 -1.74 -2.32 132.00 129.76 2zlu h PRO 44 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2zlu h PRO 44 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2zlu h PRO 44 CO 0.69 0.28 0.00 -2.39 -0.21 0.00 0.00 178.00 176.38 2zlu n HIS 45 N -4.34 0.08 -3.96 0.65 1.44 -1.26 -4.86 115.22 102.97 2zlu n HIS 45 Ca -0.01 -0.04 -0.35 0.00 -2.01 0.00 0.00 57.72 55.31 2zlu n HIS 45 Cb 0.22 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.27 2zlu n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2zlu s PHE 46 N -1.92 3.50 -0.26 -1.40 2.99 -0.88 -5.06 117.98 114.95 2zlu s PHE 46 Ca 0.34 0.40 -0.29 0.00 0.00 0.00 0.00 56.93 57.38 2zlu s PHE 46 Cb 0.17 -1.86 0.00 0.00 0.00 0.00 0.00 43.02 41.33 2zlu s PHE 46 CO 0.27 0.66 1.23 0.34 -0.00 0.00 0.00 175.22 177.72 2zlu s ASP 47 N -1.41 6.82 0.00 1.36 -1.08 -1.26 -4.91 116.67 116.19 2zlu s ASP 47 Ca 0.20 1.32 0.24 0.00 -0.52 0.00 0.00 52.55 53.79 2zlu s ASP 47 Cb -0.12 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.38 2zlu s ASP 47 CO 0.10 -0.93 1.48 0.18 0.52 0.00 0.00 175.17 176.52 2zlu n LEU 48 N 7.12 2.45 -4.75 -1.34 4.32 -1.26 -4.48 117.00 119.05 2zlu n LEU 48 Ca 0.14 -0.93 -0.32 0.00 -0.02 0.00 0.00 56.01 54.88 2zlu n LEU 48 Cb 0.46 -0.09 0.09 0.00 -1.62 0.00 0.00 43.42 42.26 2zlu n LEU 48 CO 0.60 0.47 0.72 -0.94 -1.22 0.00 0.00 177.39 177.01 2zlu s SER 49 N -1.76 4.44 0.26 -1.43 1.04 -1.26 -4.92 113.70 110.06 2zlu s SER 49 Ca 0.34 1.96 -0.31 0.00 0.48 0.00 0.00 55.95 58.42 2zlu s SER 49 Cb 0.20 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.66 2zlu s SER 49 CO 0.30 -2.08 1.60 1.57 0.98 0.00 0.00 173.24 175.61 2zlu n HIS 50 N -3.25 2.70 -1.08 5.02 -0.00 -1.26 -1.90 115.22 115.44 2zlu n HIS 50 Ca 0.10 0.23 -0.03 0.00 0.46 0.00 0.00 57.72 58.48 2zlu n HIS 50 Cb 0.52 -2.59 -0.01 0.00 -0.12 0.00 0.00 29.99 27.79 2zlu n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2zlu n GLY 51 N 2.70 0.58 3.69 1.57 0.00 -1.26 -4.98 105.19 107.48 2zlu n GLY 51 Ca 0.11 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2zlu n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2zlu n SER 52 N 0.23 2.83 -0.13 1.61 2.88 -0.80 -4.91 113.62 115.33 2zlu n SER 52 Ca -0.03 1.17 -0.03 0.00 -1.33 0.00 0.00 58.87 58.65 2zlu n SER 52 Cb 0.18 -1.46 0.18 0.00 -0.75 0.00 0.00 64.21 62.36 2zlu n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2zlu h ALA 53 N 3.50 1.18 -0.42 -1.46 0.00 -1.90 -2.02 119.26 118.14 2zlu h ALA 53 Ca -0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 2zlu h ALA 53 Cb 1.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2zlu h ALA 53 CO 0.70 0.55 0.06 1.96 0.00 0.00 0.00 179.25 182.52 2zlu h GLN 54 N 0.79 0.70 -0.42 0.00 4.20 -1.91 -0.54 115.11 117.92 2zlu h GLN 54 Ca 0.17 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2zlu h GLN 54 Cb 0.33 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2zlu h GLN 54 CO 0.00 0.74 0.14 0.28 -0.67 0.00 0.00 178.83 179.32 2zlu h VAL 55 N 0.55 1.22 0.01 -0.54 2.07 -1.76 0.16 116.25 117.95 2zlu h VAL 55 Ca 0.13 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2zlu h VAL 55 Cb 0.38 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2zlu h VAL 55 CO 0.01 0.25 -0.20 0.50 0.02 0.00 0.00 177.57 178.15 2zlu h LYS 56 N 0.54 -0.31 -0.71 1.57 3.64 -1.35 0.25 116.57 120.20 2zlu h LYS 56 Ca 0.14 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2zlu h LYS 56 Cb 0.25 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2zlu h LYS 56 CO -0.01 -0.21 0.46 0.00 -2.27 0.00 0.00 179.45 177.43 2zlu h ALA 57 N 0.56 0.91 -0.11 5.00 0.00 -0.94 -2.19 119.26 122.50 2zlu h ALA 57 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2zlu h ALA 57 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2zlu h ALA 57 CO -0.18 0.28 -0.58 1.25 0.00 0.00 0.00 179.25 180.02 2zlu h HIS 58 N 0.93 0.44 -0.82 0.00 -0.00 -0.42 -2.74 115.15 112.54 2zlu h HIS 58 Ca 0.27 -0.16 0.02 0.00 -0.00 0.00 0.00 60.37 60.50 2zlu h HIS 58 Cb -0.06 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 2zlu h HIS 58 CO -0.03 0.84 0.54 0.78 -0.00 0.00 0.00 177.93 180.06 2zlu h GLY 59 N 1.31 1.15 1.33 5.26 0.00 -0.24 -1.12 103.07 110.76 2zlu h GLY 59 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 2zlu h GLY 59 CO 0.10 0.39 0.13 1.70 0.00 0.00 0.00 176.54 178.85 2zlu h LYS 60 N 1.06 0.83 -0.23 4.80 1.63 -1.15 -0.89 116.57 122.63 2zlu h LYS 60 Ca 0.31 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.87 2zlu h LYS 60 Cb -0.06 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 2zlu h LYS 60 CO -0.08 0.75 -0.12 0.87 -3.45 0.00 0.00 179.45 177.43 2zlu h LYS 61 N 0.80 0.48 -0.18 1.90 1.79 -0.98 -1.24 116.57 119.14 2zlu h LYS 61 Ca 0.18 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2zlu h LYS 61 Cb 0.30 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2zlu h LYS 61 CO -0.00 0.76 0.12 0.28 -1.08 0.00 0.00 179.45 179.52 2zlu h VAL 62 N 0.19 1.04 -0.52 0.50 2.07 -1.08 -1.33 116.25 117.12 2zlu h VAL 62 Ca 0.05 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2zlu h VAL 62 Cb 0.62 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2zlu h VAL 62 CO 0.03 0.04 0.30 1.23 0.02 0.00 0.00 177.57 179.20 2zlu h GLY 63 N 0.24 0.74 0.96 2.17 0.00 -1.12 -1.59 103.07 104.47 2zlu h GLY 63 Ca 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.18 2zlu h GLY 63 CO -0.01 0.18 0.51 -0.55 0.00 0.00 0.00 176.54 176.67 2zlu h ASP 64 N 0.60 0.86 -0.52 0.19 3.32 -1.08 -1.30 116.42 118.50 2zlu h ASP 64 Ca 0.21 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2zlu h ASP 64 Cb 0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2zlu h ASP 64 CO -0.11 0.62 -0.04 0.00 -1.72 0.00 0.00 179.24 177.99 2zlu h ALA 65 N 1.30 0.89 -0.47 3.45 0.00 -0.82 0.15 119.26 123.75 2zlu h ALA 65 Ca 0.29 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2zlu h ALA 65 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2zlu h ALA 65 CO -0.08 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.65 2zlu h LEU 66 N 0.89 0.85 -0.93 0.00 3.38 -1.17 -1.91 115.31 116.40 2zlu h LEU 66 Ca 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2zlu h LEU 66 Cb 0.58 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2zlu h LEU 66 CO 0.03 0.97 0.43 0.74 0.09 0.00 0.00 178.44 180.71 2zlu h THR 67 N 0.77 1.25 -0.42 0.22 2.02 -0.96 -1.63 112.91 114.17 2zlu h THR 67 Ca 0.13 -0.67 0.08 0.00 0.77 0.00 0.00 66.41 66.72 2zlu h THR 67 Cb 0.61 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 2zlu h THR 67 CO 0.04 0.29 -0.00 0.25 0.37 0.00 0.00 175.52 176.47 2zlu h LEU 68 N 1.19 -0.17 -0.25 2.58 7.12 -0.30 -3.08 115.31 122.39 2zlu h LEU 68 Ca 0.29 0.10 -0.11 0.00 0.13 0.00 0.00 57.88 58.29 2zlu h LEU 68 Cb 0.07 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.37 2zlu h LEU 68 CO -0.04 -0.05 -0.29 0.00 -0.13 0.00 0.00 178.44 177.93 2zlu h ALA 69 N 1.37 0.37 -0.94 1.25 0.00 -0.83 -2.86 119.26 117.62 2zlu h ALA 69 Ca 0.21 -0.40 0.20 0.00 0.00 0.00 0.00 54.91 54.92 2zlu h ALA 69 Cb 0.30 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 2zlu h ALA 69 CO -0.34 0.39 0.51 0.28 0.00 0.00 0.00 179.25 180.08 2zlu h VAL 70 N 0.35 0.61 -0.01 0.00 2.07 -1.30 0.40 116.25 118.38 2zlu h VAL 70 Ca 0.03 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2zlu h VAL 70 Cb 0.86 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2zlu h VAL 70 CO 0.07 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.38 2zlu n GLY 71 N -1.33 -0.88 2.66 2.17 0.00 -1.10 -3.91 105.19 102.82 2zlu n GLY 71 Ca 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2zlu n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2zlu n HIS 72 N -0.80 1.58 0.29 1.61 -0.00 0.13 -4.92 115.22 113.11 2zlu n HIS 72 Ca 0.20 -2.21 0.14 0.00 -0.00 0.00 0.00 57.72 55.85 2zlu n HIS 72 Cb 0.12 -0.26 0.85 0.00 -0.00 0.00 0.00 29.99 30.70 2zlu n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2zlu h LEU 73 N 2.55 0.00 -0.01 2.41 3.38 -1.53 -1.95 115.31 120.16 2zlu h LEU 73 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2zlu h LEU 73 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2zlu h LEU 73 CO 0.32 0.04 0.00 0.47 0.09 0.00 0.00 178.44 179.36 2zlu n ASP 74 N -3.81 0.57 -2.93 -0.43 10.43 -1.26 -4.19 116.55 114.93 2zlu n ASP 74 Ca -0.03 0.55 -0.14 0.00 2.57 0.00 0.00 54.79 57.74 2zlu n ASP 74 Cb 0.13 -0.71 0.00 0.00 1.84 0.00 0.00 41.12 42.38 2zlu n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2zlu n ASP 75 N -2.03 -1.65 -0.16 -2.24 2.03 -0.75 -5.00 116.55 106.74 2zlu n ASP 75 Ca 0.06 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.20 2zlu n ASP 75 Cb 0.40 0.85 -0.00 0.00 -0.72 0.00 0.00 41.12 41.64 2zlu n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2zlu h LEU 76 N 3.97 0.76 -1.29 -2.67 3.38 -1.68 -2.76 115.31 115.02 2zlu h LEU 76 Ca -0.06 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2zlu h LEU 76 Cb 0.97 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2zlu h LEU 76 CO 0.38 0.86 0.50 -0.65 0.09 0.00 0.00 178.44 179.62 2zlu h PRO 77 N 0.64 0.88 -0.07 1.13 0.11 -1.94 -1.22 132.00 131.53 2zlu h PRO 77 Ca 0.13 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2zlu h PRO 77 Cb 0.45 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 2zlu h PRO 77 CO 0.02 0.58 -0.07 0.78 -0.21 0.00 0.00 178.00 179.10 2zlu h GLY 78 N 0.91 0.18 1.68 -0.55 0.00 -1.96 -2.73 103.07 100.60 2zlu h GLY 78 Ca 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 2zlu h GLY 78 CO -0.09 0.17 -0.14 0.00 0.00 0.00 0.00 176.54 176.48 2zlu h ALA 79 N 0.54 1.33 -0.24 3.60 0.00 -1.22 -3.19 119.26 120.08 2zlu h ALA 79 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2zlu h ALA 79 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2zlu h ALA 79 CO 0.02 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.00 2zlu n LEU 80 N -4.22 3.55 -0.31 0.00 4.77 -0.48 -4.70 117.00 115.60 2zlu n LEU 80 Ca 0.00 -2.84 -0.04 0.00 -0.03 0.00 0.00 56.01 53.10 2zlu n LEU 80 Cb 0.31 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2zlu n LEU 80 CO 0.39 0.68 1.19 -1.28 -1.33 0.00 0.00 177.39 177.05 2zlu h SER 81 N 1.62 1.00 -0.96 -1.43 0.87 -1.47 -1.94 113.55 111.24 2zlu h SER 81 Ca 0.00 -0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.61 2zlu h SER 81 Cb 1.27 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 62.90 2zlu h SER 81 CO 0.16 0.77 0.61 -2.24 -0.53 0.00 0.00 176.83 175.60 2zlu h ASP 82 N 1.15 0.87 0.79 6.23 -0.00 -1.85 -2.71 116.42 120.90 2zlu h ASP 82 Ca 0.30 0.04 -0.20 0.00 -0.00 0.00 0.00 57.03 57.17 2zlu h ASP 82 Cb -0.05 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.11 2zlu h ASP 82 CO -0.06 0.48 -0.91 -0.07 -0.00 0.00 0.00 179.24 178.68 2zlu h LEU 83 N 0.94 0.10 -0.27 0.15 -0.00 -1.79 -2.72 115.31 111.73 2zlu h LEU 83 Ca 0.46 -0.09 0.04 0.00 -0.00 0.00 0.00 57.88 58.30 2zlu h LEU 83 Cb 0.47 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.06 2zlu h LEU 83 CO -0.22 0.96 0.01 0.28 -0.00 0.00 0.00 178.44 179.46 2zlu h SER 84 N 0.03 -0.08 -0.45 -0.43 0.02 -1.05 -1.79 113.55 109.81 2zlu h SER 84 Ca -0.03 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2zlu h SER 84 Cb 1.59 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.20 2zlu h SER 84 CO 0.13 -0.01 0.23 -1.13 -1.14 0.00 0.00 176.83 174.91 2zlu h ASN 85 N 0.10 0.57 -0.39 3.07 -0.73 -1.49 -1.12 115.58 115.58 2zlu h ASN 85 Ca 0.13 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2zlu h ASN 85 Cb 0.16 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 2zlu h ASN 85 CO -0.20 0.52 0.25 0.25 -0.37 0.00 0.00 177.43 177.88 2zlu h LEU 86 N 0.58 0.46 0.17 0.34 5.85 -1.34 -1.40 115.31 119.98 2zlu h LEU 86 Ca 0.16 -0.03 -0.32 0.00 0.84 0.00 0.00 57.88 58.52 2zlu h LEU 86 Cb 0.09 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.01 2zlu h LEU 86 CO -0.02 0.36 -1.54 0.45 -0.34 0.00 0.00 178.44 177.35 2zlu h HIS 87 N 0.53 0.64 0.00 1.25 3.86 -1.16 0.18 115.15 120.46 2zlu h HIS 87 Ca 0.14 -0.47 -0.13 0.00 -1.16 0.00 0.00 60.37 58.75 2zlu h HIS 87 Cb -0.03 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2zlu h HIS 87 CO -0.04 1.48 -0.80 0.00 0.86 0.00 0.00 177.93 179.43 2zlu h ALA 88 N 0.34 0.15 0.00 2.45 0.00 -1.28 -0.05 119.26 120.86 2zlu h ALA 88 Ca -0.26 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 53.78 2zlu h ALA 88 Cb 2.07 0.52 0.00 0.00 0.00 0.00 0.00 17.79 20.37 2zlu h ALA 88 CO 0.20 0.49 -0.03 1.25 0.00 0.00 0.00 179.25 181.16 2zlu h HIS 89 N -1.00 0.03 0.06 0.00 -0.00 -1.41 -3.11 115.15 109.72 2zlu h HIS 89 Ca -0.20 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.16 2zlu h HIS 89 Cb 1.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 2zlu h HIS 89 CO 0.06 0.87 -0.03 -0.22 -0.00 0.00 0.00 177.93 178.61 2zlu h LYS 90 N -0.83 -0.07 0.00 5.26 3.64 -1.43 -3.38 116.57 119.76 2zlu h LYS 90 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2zlu h LYS 90 Cb 0.88 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2zlu h LYS 90 CO 0.01 0.10 -0.37 -0.07 -2.27 0.00 0.00 179.45 176.84 2zlu h LEU 91 N -1.01 0.00 -2.45 5.20 3.38 -1.08 -3.48 115.31 115.86 2zlu h LEU 91 Ca -0.01 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.53 2zlu h LEU 91 Cb 0.21 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.01 2zlu h LEU 91 CO 0.01 0.37 -0.89 0.54 0.09 0.00 0.00 178.44 178.56 2zlu n ARG 92 N -3.21 -2.83 -2.36 1.13 1.74 -0.61 -4.91 116.66 105.61 2zlu n ARG 92 Ca 0.02 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 2zlu n ARG 92 Cb 0.67 -4.66 -0.03 0.00 -1.02 0.00 0.00 32.46 27.43 2zlu n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2zlu s VAL 93 N -3.63 3.93 0.06 1.55 1.01 -0.13 -4.96 120.40 118.24 2zlu s VAL 93 Ca 0.23 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 2zlu s VAL 93 Cb -0.08 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2zlu s VAL 93 CO 0.84 0.07 1.89 -0.62 0.00 0.00 0.00 175.10 177.28 2zlu s ASP 94 N 1.28 6.46 0.56 3.32 -1.08 -1.26 -4.87 116.67 121.08 2zlu s ASP 94 Ca 0.60 2.67 0.32 0.00 -0.52 0.00 0.00 52.55 55.63 2zlu s ASP 94 Cb -0.30 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.08 2zlu s ASP 94 CO 0.27 -1.02 1.81 1.55 0.52 0.00 0.00 175.17 178.30 2zlu h PRO 95 N 9.72 0.00 -0.43 4.34 0.13 -1.99 -0.31 132.00 143.46 2zlu h PRO 95 Ca -0.47 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2zlu h PRO 95 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2zlu h PRO 95 CO 0.94 0.00 0.29 0.28 -0.23 0.00 0.00 178.00 179.29 2zlu h VAL 96 N 0.00 0.99 -0.01 1.56 2.07 -2.02 -2.69 116.25 116.15 2zlu h VAL 96 Ca 0.42 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.74 2zlu h VAL 96 Cb 1.87 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2zlu h VAL 96 CO -0.00 0.07 -0.30 0.78 0.02 0.00 0.00 177.57 178.14 2zlu h ASN 97 N 0.39 0.01 -0.69 0.57 2.35 -1.42 -2.54 115.58 114.26 2zlu h ASN 97 Ca 0.18 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.98 2zlu h ASN 97 Cb 0.24 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 2zlu h ASN 97 CO -0.04 0.32 0.41 -0.26 -1.65 0.00 0.00 177.43 176.20 2zlu h PHE 98 N 0.01 0.76 -0.84 1.19 0.04 -1.63 -0.71 116.94 115.77 2zlu h PHE 98 Ca -0.00 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.82 2zlu h PHE 98 Cb 0.54 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 2zlu h PHE 98 CO 0.00 0.40 0.54 0.87 -0.60 0.00 0.00 178.31 179.53 2zlu h LYS 99 N 0.78 1.03 -0.17 1.51 1.57 -1.56 -0.42 116.57 119.32 2zlu h LYS 99 Ca 0.29 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2zlu h LYS 99 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2zlu h LYS 99 CO -0.14 0.68 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.33 2zlu h LEU 100 N 1.06 0.31 -0.71 2.94 3.38 -1.23 -1.97 115.31 119.08 2zlu h LEU 100 Ca 0.33 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2zlu h LEU 100 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2zlu h LEU 100 CO -0.11 0.57 0.31 0.25 0.09 0.00 0.00 178.44 179.56 2zlu h LEU 101 N 0.04 0.97 -0.53 1.67 5.85 -1.09 -2.05 115.31 120.15 2zlu h LEU 101 Ca 0.05 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.69 2zlu h LEU 101 Cb 0.43 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2zlu h LEU 101 CO 0.01 0.86 0.17 0.28 -0.34 0.00 0.00 178.44 179.42 2zlu h SER 102 N 1.01 0.13 -0.60 1.25 0.02 -0.99 0.49 113.55 114.86 2zlu h SER 102 Ca 0.24 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2zlu h SER 102 Cb 0.18 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2zlu h SER 102 CO -0.02 0.09 0.37 -0.74 -1.14 0.00 0.00 176.83 175.39 2zlu h HIS 103 N 0.33 0.78 -0.40 3.45 -0.00 -1.16 -0.24 115.15 117.91 2zlu h HIS 103 Ca 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.56 2zlu h HIS 103 Cb 0.33 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 2zlu h HIS 103 CO -0.19 0.52 -0.09 0.00 -0.00 0.00 0.00 177.93 178.18 2zlu h LEU 105 N 0.64 0.51 -1.15 0.00 5.85 -0.50 -1.83 115.31 118.83 2zlu h LEU 105 Ca 0.12 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2zlu h LEU 105 Cb 0.53 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2zlu h LEU 105 CO 0.03 0.65 0.57 -0.07 -0.34 0.00 0.00 178.44 179.29 2zlu h LEU 106 N 0.36 0.97 -0.53 2.25 3.38 -0.91 -1.29 115.31 119.53 2zlu h LEU 106 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2zlu h LEU 106 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2zlu h LEU 106 CO 0.01 0.69 0.11 0.28 0.09 0.00 0.00 178.44 179.62 2zlu h SER 107 N 1.14 0.83 -0.41 -0.43 0.02 -1.03 -1.42 113.55 112.25 2zlu h SER 107 Ca 0.33 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2zlu h SER 107 Cb -0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 2zlu h SER 107 CO -0.08 0.86 0.05 0.74 -1.14 0.00 0.00 176.83 177.26 2zlu h THR 108 N 0.76 1.25 -0.94 -2.27 2.02 -0.89 -2.25 112.91 110.58 2zlu h THR 108 Ca 0.17 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.48 2zlu h THR 108 Cb 0.37 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 2zlu h THR 108 CO 0.01 0.31 0.61 -0.07 0.37 0.00 0.00 175.52 176.75 2zlu h LEU 109 N 0.53 1.03 -0.77 2.58 4.07 -1.07 -2.69 115.31 118.98 2zlu h LEU 109 Ca 0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2zlu h LEU 109 Cb 0.39 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 2zlu h LEU 109 CO 0.01 0.70 0.42 0.00 -1.08 0.00 0.00 178.44 178.50 2zlu h ALA 110 N 1.39 0.99 -0.14 1.53 0.00 -1.10 0.18 119.26 122.11 2zlu h ALA 110 Ca 0.37 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2zlu h ALA 110 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2zlu h ALA 110 CO -0.12 0.50 -0.02 0.28 0.00 0.00 0.00 179.25 179.89 2zlu h VAL 111 N 1.07 0.88 0.00 0.00 2.07 -1.14 -3.23 116.25 115.90 2zlu h VAL 111 Ca 0.27 -0.01 -0.20 0.00 0.82 0.00 0.00 66.70 67.58 2zlu h VAL 111 Cb 0.03 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2zlu h VAL 111 CO -0.04 0.00 -1.56 1.41 0.02 0.00 0.00 177.57 177.40 2zlu n HIS 112 N -5.15 0.89 -2.85 1.57 -0.00 -1.04 -4.48 115.22 104.16 2zlu n HIS 112 Ca -0.04 0.30 -0.23 0.00 -0.00 0.00 0.00 57.72 57.76 2zlu n HIS 112 Cb 0.09 -1.08 -0.02 0.00 -0.00 0.00 0.00 29.99 28.97 2zlu n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2zlu n LEU 113 N -2.89 3.37 0.06 2.41 4.77 0.62 -4.94 117.00 120.39 2zlu n LEU 113 Ca -0.13 -5.19 0.03 0.00 -0.03 0.00 0.00 56.01 50.70 2zlu n LEU 113 Cb 0.90 -0.13 0.41 0.00 -2.33 0.00 0.00 43.42 42.26 2zlu n LEU 113 CO 0.43 2.22 1.02 1.55 -1.33 0.00 0.00 177.39 181.29 2zlu h PRO 114 N 2.89 0.40 0.00 3.23 0.13 -1.75 0.14 132.00 137.04 2zlu h PRO 114 Ca 0.14 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 2zlu h PRO 114 Cb 0.79 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 2zlu h PRO 114 CO 0.72 0.37 -0.62 -0.91 -0.23 0.00 0.00 178.00 177.33 2zlu h ASN 115 N 0.40 0.00 1.03 1.44 2.35 -1.92 -3.24 115.58 115.63 2zlu h ASN 115 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2zlu h ASN 115 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2zlu h ASN 115 CO -0.00 0.62 -0.84 0.44 -1.65 0.00 0.00 177.43 175.99 2zlu h ASP 116 N 0.00 0.00 -1.07 5.81 5.19 -1.79 -3.41 116.42 121.16 2zlu h ASP 116 Ca -0.01 -0.06 -0.75 0.00 -0.62 0.00 0.00 57.03 55.60 2zlu h ASP 116 Cb 1.46 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.85 2zlu h ASP 116 CO 0.08 0.03 2.29 0.33 -3.12 0.00 0.00 179.24 178.85 2zlu n PHE 117 N -2.56 3.03 -2.12 4.55 7.35 -0.03 -4.87 117.46 122.81 2zlu n PHE 117 Ca 0.01 -2.83 -0.28 0.00 -0.76 0.00 0.00 57.45 53.59 2zlu n PHE 117 Cb 0.52 -2.07 0.05 0.00 0.35 0.00 0.00 39.48 38.32 2zlu n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2zlu s THR 118 N 0.93 3.25 0.19 -2.13 -4.23 -1.26 -4.82 115.64 107.58 2zlu s THR 118 Ca 0.42 0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.97 2zlu s THR 118 Cb 0.11 -3.36 0.13 0.00 1.34 0.00 0.00 72.50 70.72 2zlu s THR 118 CO -0.02 -0.43 1.71 -0.65 -0.54 0.00 0.00 174.62 174.70 2zlu h PRO 119 N -0.50 0.24 -0.71 3.99 0.11 -1.99 -0.80 132.00 132.34 2zlu h PRO 119 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2zlu h PRO 119 Cb 1.27 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2zlu h PRO 119 CO 0.62 0.16 0.47 0.00 -0.21 0.00 0.00 178.00 179.04 2zlu h ALA 120 N 1.42 0.89 -0.53 -0.75 0.00 -1.98 -1.62 119.26 116.69 2zlu h ALA 120 Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2zlu h ALA 120 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2zlu h ALA 120 CO -0.35 0.32 -0.12 0.28 0.00 0.00 0.00 179.25 179.38 2zlu h VAL 121 N 0.96 1.27 -0.54 0.00 2.07 -1.84 -2.59 116.25 115.58 2zlu h VAL 121 Ca 0.26 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.53 2zlu h VAL 121 Cb -0.11 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2zlu h VAL 121 CO -0.06 0.45 0.33 -0.74 0.02 0.00 0.00 177.57 177.57 2zlu h HIS 122 N 0.88 0.62 -0.34 1.57 6.17 -0.96 -0.34 115.15 122.75 2zlu h HIS 122 Ca 0.14 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 2zlu h HIS 122 Cb 0.69 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.40 2zlu h HIS 122 CO 0.05 0.36 0.18 0.00 0.71 0.00 0.00 177.93 179.23 2zlu h ALA 123 N 1.23 0.44 -0.36 5.26 0.00 -1.22 -0.98 119.26 123.62 2zlu h ALA 123 Ca 0.21 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2zlu h ALA 123 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2zlu h ALA 123 CO -0.09 -0.03 -0.26 0.77 0.00 0.00 0.00 179.25 179.65 2zlu h SER 124 N 0.42 0.75 -0.33 0.00 0.02 -1.29 -2.46 113.55 110.67 2zlu h SER 124 Ca 0.12 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 2zlu h SER 124 Cb 0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2zlu h SER 124 CO -0.02 0.98 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.54 2zlu h LEU 125 N 0.64 0.69 -0.20 5.07 4.07 -0.90 -0.40 115.31 124.28 2zlu h LEU 125 Ca 0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 2zlu h LEU 125 Cb 0.77 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2zlu h LEU 125 CO 0.06 0.78 0.07 -0.78 -1.08 0.00 0.00 178.44 177.50 2zlu h ASP 126 N 0.66 0.28 -0.49 -0.43 1.82 -0.97 -0.09 116.42 117.20 2zlu h ASP 126 Ca 0.13 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2zlu h ASP 126 Cb 0.47 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 2zlu h ASP 126 CO 0.02 0.38 0.28 0.11 -1.61 0.00 0.00 179.24 178.43 2zlu h LYS 127 N 0.16 0.67 -0.02 0.28 1.57 -1.28 -0.90 116.57 117.04 2zlu h LYS 127 Ca 0.07 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2zlu h LYS 127 Cb 0.20 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2zlu h LYS 127 CO -0.00 0.50 -0.17 0.35 -0.57 0.00 0.00 179.45 179.55 2zlu h PHE 128 N 0.65 -0.45 -0.62 -1.35 3.57 -0.90 0.07 116.94 117.91 2zlu h PHE 128 Ca 0.17 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2zlu h PHE 128 Cb 0.02 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2zlu h PHE 128 CO -0.02 -0.25 0.14 -0.07 -2.23 0.00 0.00 178.31 175.88 2zlu h LEU 129 N -0.27 0.91 -1.12 0.59 3.38 -0.88 -0.52 115.31 117.40 2zlu h LEU 129 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2zlu h LEU 129 Cb 0.35 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2zlu h LEU 129 CO -0.18 0.89 0.47 0.28 0.09 0.00 0.00 178.44 179.99 2zlu h SER 130 N 0.92 0.95 -0.39 -0.43 0.02 -1.03 -1.84 113.55 111.76 2zlu h SER 130 Ca 0.20 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2zlu h SER 130 Cb 0.34 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2zlu h SER 130 CO 0.00 0.74 -0.13 0.28 -1.14 0.00 0.00 176.83 176.58 2zlu h SER 131 N 1.10 0.79 -0.88 3.07 0.02 -0.09 -1.96 113.55 115.60 2zlu h SER 131 Ca 0.28 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2zlu h SER 131 Cb -0.03 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 2zlu h SER 131 CO -0.05 0.99 0.57 0.58 -1.14 0.00 0.00 176.83 177.78 2zlu h VAL 132 N 0.58 1.14 -0.33 2.27 2.07 -1.08 -2.37 116.25 118.53 2zlu h VAL 132 Ca 0.09 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2zlu h VAL 132 Cb 0.67 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2zlu h VAL 132 CO 0.05 0.20 0.01 0.28 0.02 0.00 0.00 177.57 178.12 2zlu h SER 133 N 1.10 0.57 -0.63 0.57 0.02 -1.20 -1.49 113.55 112.49 2zlu h SER 133 Ca 0.35 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2zlu h SER 133 Cb 0.01 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 2zlu h SER 133 CO -0.12 0.73 0.38 0.74 -1.14 0.00 0.00 176.83 177.43 2zlu h THR 134 N 0.39 1.06 -0.22 -2.27 2.02 -1.31 -1.24 112.91 111.33 2zlu h THR 134 Ca 0.09 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2zlu h THR 134 Cb 0.44 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2zlu h THR 134 CO 0.02 0.14 0.11 0.58 0.37 0.00 0.00 175.52 176.73 2zlu h VAL 135 N 0.75 1.14 0.00 3.16 2.07 -1.24 -1.44 116.25 120.68 2zlu h VAL 135 Ca 0.26 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2zlu h VAL 135 Cb 0.04 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2zlu h VAL 135 CO -0.11 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 2zlu h LEU 136 N 0.23 0.00 -3.08 2.57 3.38 -1.03 -2.31 115.31 115.07 2zlu h LEU 136 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2zlu h LEU 136 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2zlu h LEU 136 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 2zlu n THR 137 N -2.99 1.65 0.25 0.22 -2.24 -0.49 -4.13 114.28 106.56 2zlu n THR 137 Ca -0.00 -1.35 0.14 0.00 -2.27 0.00 0.00 64.05 60.57 2zlu n THR 137 Cb 0.23 0.15 0.60 0.00 -2.10 0.00 0.00 70.33 69.22 2zlu n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2zlu h SER 138 N 2.52 0.00 0.84 3.42 4.64 -0.67 -1.63 113.55 122.66 2zlu h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2zlu h SER 138 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2zlu h SER 138 CO 0.14 0.10 0.00 0.11 -0.87 0.00 0.00 176.83 176.31 2zlu h LYS 139 N 0.00 0.00 0.00 4.77 1.57 -1.85 -3.51 116.57 117.55 2zlu h LYS 139 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2zlu h LYS 139 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2zlu h LYS 139 CO 0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.55