#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zlu s GLN 2 N 0.00 1.38 0.27 1.45 -2.07 -1.26 -4.62 119.66 114.81 2zlu s GLN 2 Ca 0.00 -1.66 0.07 0.00 -1.82 0.00 0.00 55.36 51.95 2zlu s GLN 2 Cb 0.00 -2.93 -0.03 0.00 -1.09 0.00 0.00 33.01 28.96 2zlu s GLN 2 CO 0.00 -0.91 0.28 -0.51 -1.32 0.00 0.00 175.29 172.82 2zlu s LEU 3 N 1.07 3.90 1.14 2.60 2.01 -1.26 -5.12 118.68 123.03 2zlu s LEU 3 Ca 0.09 -0.22 -0.17 0.00 0.01 0.00 0.00 54.13 53.84 2zlu s LEU 3 Cb -0.19 -2.48 0.26 0.00 0.01 0.00 0.00 46.19 43.79 2zlu s LEU 3 CO -0.11 -0.14 1.10 -0.94 1.01 0.00 0.00 176.35 177.26 2zlu s SER 4 N -3.94 1.43 0.21 2.29 1.04 -1.26 -4.86 113.70 108.61 2zlu s SER 4 Ca 0.36 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.58 2zlu s SER 4 Cb -0.08 -1.23 0.18 0.00 0.10 0.00 0.00 66.02 64.99 2zlu s SER 4 CO 0.27 -3.83 1.61 1.23 0.98 0.00 0.00 173.24 173.50 2zlu h GLY 5 N -2.38 0.80 1.31 7.32 0.00 -2.00 -2.09 103.07 106.03 2zlu h GLY 5 Ca -0.49 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 45.98 2zlu h GLY 5 CO 0.43 0.65 -0.40 0.83 0.00 0.00 0.00 176.54 178.04 2zlu h GLU 6 N 0.64 0.75 -0.28 4.80 4.39 -1.99 -2.63 114.58 120.26 2zlu h GLU 6 Ca 0.08 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.27 2zlu h GLU 6 Cb 0.79 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2zlu h GLU 6 CO 0.06 1.02 -0.26 0.93 -1.16 0.00 0.00 179.01 179.60 2zlu h GLU 7 N 0.62 0.67 -0.62 2.33 5.08 -1.92 -1.82 114.58 118.92 2zlu h GLU 7 Ca 0.05 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2zlu h GLU 7 Cb 0.95 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2zlu h GLU 7 CO 0.09 0.96 0.32 0.87 -1.00 0.00 0.00 179.01 180.25 2zlu h LYS 8 N 0.41 0.87 -0.77 2.33 1.57 -1.39 -0.35 116.57 119.24 2zlu h LYS 8 Ca 0.05 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2zlu h LYS 8 Cb 0.82 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2zlu h LYS 8 CO 0.07 0.68 0.33 0.00 -0.57 0.00 0.00 179.45 179.95 2zlu h ALA 9 N 1.15 1.00 -0.36 3.86 0.00 -1.42 -0.76 119.26 122.72 2zlu h ALA 9 Ca 0.22 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2zlu h ALA 9 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2zlu h ALA 9 CO -0.03 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.67 2zlu h ALA 10 N 1.17 0.50 -0.31 0.00 0.00 -1.09 -1.04 119.26 118.48 2zlu h ALA 10 Ca 0.26 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2zlu h ALA 10 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2zlu h ALA 10 CO -0.02 0.41 0.17 0.28 0.00 0.00 0.00 179.25 180.08 2zlu h VAL 11 N 0.52 1.01 -0.34 0.00 2.07 -0.78 -2.48 116.25 116.25 2zlu h VAL 11 Ca 0.08 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 2zlu h VAL 11 Cb 0.69 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2zlu h VAL 11 CO 0.05 0.06 -0.20 -0.07 0.02 0.00 0.00 177.57 177.43 2zlu h LEU 12 N 0.35 0.65 -0.94 2.57 3.38 -1.13 -2.44 115.31 117.75 2zlu h LEU 12 Ca 0.13 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2zlu h LEU 12 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2zlu h LEU 12 CO -0.07 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.32 2zlu h ALA 13 N 1.20 1.12 -0.44 1.53 0.00 -0.94 -2.79 119.26 118.95 2zlu h ALA 13 Ca 0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2zlu h ALA 13 Cb 0.66 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2zlu h ALA 13 CO 0.05 0.56 -0.24 1.25 0.00 0.00 0.00 179.25 180.87 2zlu h LEU 14 N 0.73 0.97 -1.81 0.00 5.85 -1.16 -3.17 115.31 116.72 2zlu h LEU 14 Ca 0.14 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.48 2zlu h LEU 14 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2zlu h LEU 14 CO 0.02 1.17 0.19 -0.25 -0.34 0.00 0.00 178.44 179.22 2zlu h TRP 15 N 0.77 0.24 -0.31 1.25 2.91 -1.18 -0.13 115.95 119.50 2zlu h TRP 15 Ca 0.09 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.21 2zlu h TRP 15 Cb 0.82 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 2zlu h TRP 15 CO 0.06 0.14 0.27 -0.44 -1.03 0.00 0.00 178.44 177.44 2zlu h ASP 16 N 0.25 0.00 -0.03 2.65 3.45 -1.49 -2.16 116.42 119.08 2zlu h ASP 16 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2zlu h ASP 16 Cb 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 2zlu h ASP 16 CO -0.02 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.94 2zlu n LYS 17 N -4.04 2.29 -2.91 3.56 5.02 -0.07 -4.93 118.16 117.07 2zlu n LYS 17 Ca 0.05 -1.87 -0.42 0.00 -2.02 0.00 0.00 58.31 54.05 2zlu n LYS 17 Cb 0.43 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 2zlu n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2zlu s VAL 18 N -2.00 4.86 -0.65 -0.18 1.01 -0.82 -5.01 120.40 117.63 2zlu s VAL 18 Ca 0.29 1.53 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 2zlu s VAL 18 Cb 0.20 -4.10 0.06 0.00 0.00 0.00 0.00 36.38 32.54 2zlu s VAL 18 CO 0.30 -0.04 1.01 0.21 0.00 0.00 0.00 175.10 176.58 2zlu s ASN 19 N 1.31 6.21 0.54 3.32 3.84 -1.26 -4.91 114.94 123.99 2zlu s ASN 19 Ca 0.35 -0.74 0.23 0.00 0.21 0.00 0.00 52.86 52.90 2zlu s ASN 19 Cb -0.16 -2.45 1.43 0.00 -0.55 0.00 0.00 41.25 39.53 2zlu s ASN 19 CO 0.08 -1.45 2.09 -0.33 -2.79 0.00 0.00 177.10 174.70 2zlu h GLU 20 N 9.58 0.00 0.10 0.43 5.08 -1.94 -0.80 114.58 127.02 2zlu h GLU 20 Ca -0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2zlu h GLU 20 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2zlu h GLU 20 CO 1.18 0.00 -0.05 1.49 -1.00 0.00 0.00 179.01 180.63 2zlu h GLU 21 N 0.00 -0.13 -0.27 2.33 4.81 -1.91 -1.29 114.58 118.13 2zlu h GLU 21 Ca 0.11 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2zlu h GLU 21 Cb 0.47 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2zlu h GLU 21 CO -0.00 0.39 0.12 0.93 -0.73 0.00 0.00 179.01 179.72 2zlu h GLU 22 N -0.85 0.39 -0.18 1.92 5.08 -1.90 -2.40 114.58 116.64 2zlu h GLU 22 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2zlu h GLU 22 Cb 0.58 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2zlu h GLU 22 CO 0.02 0.40 -0.02 0.28 -1.00 0.00 0.00 179.01 178.70 2zlu h VAL 23 N 0.29 1.27 0.11 3.13 2.07 -1.29 -2.50 116.25 119.33 2zlu h VAL 23 Ca 0.09 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2zlu h VAL 23 Cb 0.15 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2zlu h VAL 23 CO -0.01 0.28 -0.05 1.23 0.02 0.00 0.00 177.57 179.04 2zlu h GLY 24 N 0.07 -0.16 0.96 2.17 0.00 -1.27 0.12 103.07 104.95 2zlu h GLY 24 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2zlu h GLY 24 CO 0.01 -0.06 0.39 -1.33 0.00 0.00 0.00 176.54 175.55 2zlu h GLY 25 N -0.17 0.85 0.85 4.60 0.00 -1.51 -1.14 103.07 106.54 2zlu h GLY 25 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2zlu h GLY 25 CO 0.03 0.28 0.05 -2.09 0.00 0.00 0.00 176.54 174.81 2zlu h GLU 26 N 0.79 0.30 0.11 4.80 4.81 -1.28 -1.41 114.58 122.70 2zlu h GLU 26 Ca 0.23 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2zlu h GLU 26 Cb -0.06 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2zlu h GLU 26 CO -0.07 0.43 -0.08 0.00 -0.73 0.00 0.00 179.01 178.57 2zlu h ALA 27 N 0.85 -0.17 -0.62 2.92 0.00 -0.61 -0.01 119.26 121.61 2zlu h ALA 27 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2zlu h ALA 27 Cb 0.27 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2zlu h ALA 27 CO 0.00 -0.61 0.38 1.25 0.00 0.00 0.00 179.25 180.28 2zlu h LEU 28 N -0.19 0.75 -0.12 0.00 6.46 -1.25 -1.65 115.31 119.30 2zlu h LEU 28 Ca -0.00 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2zlu h LEU 28 Cb 0.17 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2zlu h LEU 28 CO -0.00 0.58 0.08 1.23 -0.62 0.00 0.00 178.44 179.71 2zlu h GLY 29 N 0.85 0.17 0.94 3.75 0.00 -1.10 -2.02 103.07 105.67 2zlu h GLY 29 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2zlu h GLY 29 CO -0.04 0.06 0.52 3.21 0.00 0.00 0.00 176.54 180.29 2zlu h ARG 30 N 0.16 1.01 -0.71 4.80 3.08 -0.88 -1.75 114.38 120.10 2zlu h ARG 30 Ca 0.05 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2zlu h ARG 30 Cb -0.02 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 29.74 2zlu h ARG 30 CO -0.01 0.67 0.36 1.25 -1.07 0.00 0.00 179.97 181.17 2zlu h LEU 31 N 1.04 0.49 -1.05 3.04 5.85 -0.89 0.18 115.31 123.97 2zlu h LEU 31 Ca 0.31 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.98 2zlu h LEU 31 Cb -0.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2zlu h LEU 31 CO -0.09 0.29 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.84 2zlu h LEU 32 N 0.63 0.15 0.11 2.25 3.38 -1.02 -0.75 115.31 120.07 2zlu h LEU 32 Ca 0.34 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 2zlu h LEU 32 Cb 0.32 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.05 2zlu h LEU 32 CO -0.25 0.54 -0.65 0.58 0.09 0.00 0.00 178.44 178.75 2zlu h VAL 33 N 0.13 1.57 0.07 1.22 2.07 -0.68 -3.35 116.25 117.27 2zlu h VAL 33 Ca 0.01 -2.49 -0.24 0.00 0.82 0.00 0.00 66.70 64.80 2zlu h VAL 33 Cb 0.76 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 2zlu h VAL 33 CO 0.06 0.69 -1.10 0.58 0.02 0.00 0.00 177.57 177.82 2zlu h VAL 34 N -0.48 1.55 -2.90 2.57 2.07 -0.67 -3.39 116.25 115.01 2zlu h VAL 34 Ca -0.11 -3.05 -0.61 0.00 0.82 0.00 0.00 66.70 63.74 2zlu h VAL 34 Cb 1.51 2.81 -0.41 0.00 -1.52 0.00 0.00 31.29 33.69 2zlu h VAL 34 CO 0.12 0.89 -0.69 -0.31 0.02 0.00 0.00 177.57 177.59 2zlu s TYR 35 N -2.79 2.78 -1.68 1.57 2.02 -0.29 -4.99 117.35 113.97 2zlu s TYR 35 Ca -0.03 -3.00 0.30 0.00 -0.37 0.00 0.00 57.07 53.97 2zlu s TYR 35 Cb 0.08 -2.17 1.63 0.00 -0.40 0.00 0.00 41.96 41.10 2zlu s TYR 35 CO 0.86 -0.65 2.08 -0.35 -1.57 0.00 0.00 175.55 175.92 2zlu n PRO 36 N 2.36 0.65 0.24 -1.71 -0.04 -1.26 -1.47 135.00 133.78 2zlu n PRO 36 Ca 0.21 0.01 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 2zlu n PRO 36 Cb 0.38 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.78 2zlu n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2zlu h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 -2.91 115.95 111.76 2zlu h TRP 37 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 2zlu h TRP 37 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.40 2zlu h TRP 37 CO 0.00 0.04 -0.03 1.79 0.09 0.00 0.00 178.44 180.34 2zlu h THR 38 N 0.00 0.18 0.00 0.12 1.35 -1.58 -2.99 112.91 109.99 2zlu h THR 38 Ca -0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 2zlu h THR 38 Cb 0.76 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2zlu h THR 38 CO 0.01 0.03 -0.05 1.56 -0.25 0.00 0.00 175.52 176.81 2zlu h GLN 39 N 0.00 0.00 -0.63 4.72 4.20 -1.72 -2.70 115.11 118.98 2zlu h GLN 39 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 2zlu h GLN 39 Cb 0.18 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 2zlu h GLN 39 CO 0.00 0.05 0.42 -0.09 -0.67 0.00 0.00 178.83 178.54 2zlu h ARG 40 N 0.00 0.53 0.00 1.46 2.43 -1.75 -1.83 114.38 115.22 2zlu h ARG 40 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2zlu h ARG 40 Cb 0.15 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2zlu h ARG 40 CO 0.01 0.35 0.00 0.74 -1.51 0.00 0.00 179.97 179.56 2zlu h PHE 41 N 0.54 0.00 -0.43 2.20 -1.00 -1.71 -3.31 116.94 113.22 2zlu h PHE 41 Ca 0.28 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.75 2zlu h PHE 41 Cb 0.40 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 39.72 2zlu h PHE 41 CO -0.00 0.00 -0.66 1.19 -1.61 0.00 0.00 178.31 177.23 2zlu n PHE 42 N -2.37 1.58 -0.05 -0.55 3.01 -0.69 -4.80 117.46 113.59 2zlu n PHE 42 Ca 0.04 -1.91 0.16 0.00 1.01 0.00 0.00 57.45 56.74 2zlu n PHE 42 Cb 0.36 -0.31 0.58 0.00 -0.01 0.00 0.00 39.48 40.10 2zlu n PHE 42 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2zlu h ASP 43 N 1.67 0.22 0.50 4.37 3.32 -1.65 -2.19 116.42 122.66 2zlu h ASP 43 Ca 0.21 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2zlu h ASP 43 Cb 1.31 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2zlu h ASP 43 CO 0.44 0.12 0.00 -1.54 -1.72 0.00 0.00 179.24 176.54 2zlu n SER 44 N -4.44 0.00 -0.10 6.45 3.41 -1.26 -3.17 113.62 114.51 2zlu n SER 44 Ca 0.10 0.07 0.14 0.00 -0.26 0.00 0.00 58.87 58.92 2zlu n SER 44 Cb 0.48 -0.33 0.66 0.00 -0.26 0.00 0.00 64.21 64.76 2zlu n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2zlu n PHE 45 N -1.33 0.00 -0.58 7.33 0.99 -0.82 -5.03 117.46 118.01 2zlu n PHE 45 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 2zlu n PHE 45 Cb 0.20 -0.18 0.00 0.00 -1.00 0.00 0.00 39.48 38.50 2zlu n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2zlu n GLY 46 N 1.26 0.62 3.61 1.37 0.00 -1.19 -4.87 105.19 105.99 2zlu n GLY 46 Ca 0.15 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2zlu n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2zlu s ASP 47 N -4.00 6.58 -0.19 1.61 3.68 -1.26 -4.86 116.67 118.23 2zlu s ASP 47 Ca 0.00 0.88 0.13 0.00 2.13 0.00 0.00 52.55 55.68 2zlu s ASP 47 Cb 0.00 -2.54 0.42 0.00 -1.45 0.00 0.00 42.92 39.35 2zlu s ASP 47 CO 0.00 -1.22 1.21 0.18 0.13 0.00 0.00 175.17 175.47 2zlu n LEU 48 N 8.00 2.57 -0.27 -1.34 4.77 -1.26 -4.46 117.00 125.00 2zlu n LEU 48 Ca 0.14 -3.71 -0.05 0.00 -0.03 0.00 0.00 56.01 52.36 2zlu n LEU 48 Cb 0.48 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2zlu n LEU 48 CO 0.67 1.32 1.19 0.28 -1.33 0.00 0.00 177.39 179.52 2zlu h SER 49 N 1.03 0.86 -5.17 -1.43 0.02 -1.94 -3.45 113.55 103.47 2zlu h SER 49 Ca -0.02 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 2zlu h SER 49 Cb 1.11 -0.21 -0.15 0.00 0.14 0.00 0.00 62.40 63.29 2zlu h SER 49 CO 0.03 0.62 -0.53 0.54 -1.14 0.00 0.00 176.83 176.35 2zlu s ASN 50 N -5.88 0.28 0.30 3.07 2.20 -1.26 -5.06 114.94 108.59 2zlu s ASN 50 Ca -0.13 -0.75 0.05 0.00 -0.94 0.00 0.00 52.86 51.10 2zlu s ASN 50 Cb 0.15 0.25 0.76 0.00 -2.00 0.00 0.00 41.25 40.41 2zlu s ASN 50 CO 0.78 -0.61 1.73 -0.65 -2.94 0.00 0.00 177.10 175.40 2zlu h PRO 51 N 3.18 0.52 -0.09 3.55 0.11 -1.98 -1.21 132.00 136.08 2zlu h PRO 51 Ca -0.34 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.76 2zlu h PRO 51 Cb 1.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2zlu h PRO 51 CO 0.58 0.35 -0.01 0.78 -0.21 0.00 0.00 178.00 179.48 2zlu h GLY 52 N 0.54 0.07 1.01 -0.55 0.00 -1.99 -1.54 103.07 100.61 2zlu h GLY 52 Ca 0.58 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.94 2zlu h GLY 52 CO -0.47 -0.02 0.65 0.00 0.00 0.00 0.00 176.54 176.70 2zlu h ALA 53 N 1.08 1.26 0.27 3.60 0.00 -1.59 -2.97 119.26 120.90 2zlu h ALA 53 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2zlu h ALA 53 Cb 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2zlu h ALA 53 CO -0.08 0.66 -0.13 0.28 0.00 0.00 0.00 179.25 179.98 2zlu h VAL 54 N 1.35 0.77 0.00 0.00 2.07 -1.17 -2.86 116.25 116.41 2zlu h VAL 54 Ca 0.36 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2zlu h VAL 54 Cb -0.15 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2zlu h VAL 54 CO -0.08 0.12 -0.09 0.24 0.02 0.00 0.00 177.57 177.78 2zlu h MET 55 N -0.69 0.00 -0.02 1.57 2.86 -1.28 -2.35 114.93 115.02 2zlu h MET 55 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2zlu h MET 55 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2zlu h MET 55 CO 0.06 0.09 -0.19 0.41 1.06 0.00 0.00 176.91 178.34 2zlu n GLY 56 N -0.54 0.59 3.68 8.32 0.00 -1.13 -4.90 105.19 111.21 2zlu n GLY 56 Ca -0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2zlu n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2zlu s ASN 57 N -2.20 6.89 0.42 1.61 3.84 -0.88 -4.94 114.94 119.68 2zlu s ASN 57 Ca 0.24 1.98 0.12 0.00 0.21 0.00 0.00 52.86 55.42 2zlu s ASN 57 Cb 0.19 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 39.24 2zlu s ASN 57 CO 0.41 -0.72 1.95 -0.65 -2.79 0.00 0.00 177.10 175.30 2zlu h PRO 58 N 8.01 0.10 -0.10 0.43 0.11 -1.92 -2.22 132.00 136.41 2zlu h PRO 58 Ca -0.35 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 2zlu h PRO 58 Cb 1.16 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2zlu h PRO 58 CO 0.92 0.27 -0.59 0.87 -0.21 0.00 0.00 178.00 179.26 2zlu h LYS 59 N 0.09 0.33 0.04 1.05 1.79 -1.92 -1.59 116.57 116.37 2zlu h LYS 59 Ca 0.02 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2zlu h LYS 59 Cb 0.36 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2zlu h LYS 59 CO 0.02 0.83 -0.02 0.28 -1.08 0.00 0.00 179.45 179.48 2zlu h VAL 60 N 0.25 1.10 -0.27 0.50 2.07 -1.73 -0.53 116.25 117.63 2zlu h VAL 60 Ca -0.00 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.12 2zlu h VAL 60 Cb 1.11 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2zlu h VAL 60 CO 0.10 0.11 0.08 0.11 0.02 0.00 0.00 177.57 177.99 2zlu h LYS 61 N -0.24 0.20 -0.50 1.57 1.57 -1.46 0.15 116.57 117.85 2zlu h LYS 61 Ca -0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2zlu h LYS 61 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2zlu h LYS 61 CO 0.01 0.13 0.10 0.00 -0.57 0.00 0.00 179.45 179.12 2zlu h ALA 62 N 1.18 0.66 -0.21 3.86 0.00 -1.24 -1.23 119.26 122.28 2zlu h ALA 62 Ca 0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 2zlu h ALA 62 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2zlu h ALA 62 CO -0.13 0.37 -0.60 1.25 0.00 0.00 0.00 179.25 180.13 2zlu h HIS 63 N 0.69 0.89 -0.27 0.00 -0.00 -0.96 -2.91 115.15 112.58 2zlu h HIS 63 Ca 0.15 -0.33 0.06 0.00 -0.00 0.00 0.00 60.37 60.25 2zlu h HIS 63 Cb 0.36 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 27.55 2zlu h HIS 63 CO 0.02 1.12 -0.11 0.78 -0.00 0.00 0.00 177.93 179.75 2zlu h GLY 64 N 0.88 0.14 0.14 5.26 0.00 -0.53 -1.22 103.07 107.73 2zlu h GLY 64 Ca -0.00 0.13 0.14 0.00 0.00 0.00 0.00 47.33 47.60 2zlu h GLY 64 CO 0.12 -0.13 0.26 1.70 0.00 0.00 0.00 176.54 178.48 2zlu h LYS 65 N -0.06 0.38 -0.75 4.80 3.64 -1.24 -0.69 116.57 122.65 2zlu h LYS 65 Ca 0.14 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2zlu h LYS 65 Cb 0.27 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2zlu h LYS 65 CO -0.31 0.25 0.26 0.87 -2.27 0.00 0.00 179.45 178.25 2zlu h LYS 66 N 0.39 1.14 -0.23 1.90 1.79 -1.18 -0.17 116.57 120.21 2zlu h LYS 66 Ca 0.39 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2zlu h LYS 66 Cb 0.60 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2zlu h LYS 66 CO -0.41 0.95 0.14 0.28 -1.08 0.00 0.00 179.45 179.32 2zlu h VAL 67 N 1.10 1.09 -0.02 0.50 2.07 -0.76 -2.38 116.25 117.85 2zlu h VAL 67 Ca 0.25 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 2zlu h VAL 67 Cb 0.26 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2zlu h VAL 67 CO -0.01 0.09 -0.47 -0.07 0.02 0.00 0.00 177.57 177.12 2zlu h LEU 68 N 0.28 0.05 -0.56 2.57 -0.00 -0.82 -0.56 115.31 116.28 2zlu h LEU 68 Ca 0.08 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 57.86 2zlu h LEU 68 Cb 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2zlu h LEU 68 CO -0.02 0.52 0.05 -0.74 -0.00 0.00 0.00 178.44 178.25 2zlu h HIS 69 N 0.04 1.02 -0.63 1.13 2.76 -0.92 -0.12 115.15 118.43 2zlu h HIS 69 Ca -0.00 -0.16 -0.06 0.00 -2.20 0.00 0.00 60.37 57.95 2zlu h HIS 69 Cb 0.85 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 2zlu h HIS 69 CO 0.00 0.91 0.15 1.03 -1.30 0.00 0.00 177.93 178.73 2zlu h SER 70 N 0.84 0.95 -0.13 3.26 0.87 -1.02 -2.07 113.55 116.24 2zlu h SER 70 Ca 0.16 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2zlu h SER 70 Cb 0.47 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2zlu h SER 70 CO 0.02 0.94 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.96 2zlu h PHE 71 N 0.92 -0.08 -0.96 2.24 -1.00 -0.82 -2.70 116.94 114.54 2zlu h PHE 71 Ca 0.20 0.01 0.23 0.00 2.81 0.00 0.00 57.97 61.22 2zlu h PHE 71 Cb 0.36 0.06 -0.12 0.00 3.61 0.00 0.00 35.95 39.85 2zlu h PHE 71 CO 0.03 -0.06 0.52 0.78 -1.61 0.00 0.00 178.31 177.96 2zlu h GLY 72 N -0.01 1.76 1.05 -1.45 0.00 -0.75 0.13 103.07 103.81 2zlu h GLY 72 Ca 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.16 2zlu h GLY 72 CO -0.14 -0.25 0.61 0.83 0.00 0.00 0.00 176.54 177.59 2zlu h GLU 73 N 0.51 1.18 -0.44 4.80 4.39 -1.07 -1.64 114.58 122.30 2zlu h GLU 73 Ca 0.61 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 60.14 2zlu h GLU 73 Cb 1.15 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2zlu h GLU 73 CO -0.49 0.78 -0.11 0.78 -1.16 0.00 0.00 179.01 178.81 2zlu h GLY 74 N 1.21 0.92 0.97 -3.84 0.00 -0.51 -2.18 103.07 99.64 2zlu h GLY 74 Ca 0.35 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.96 2zlu h GLY 74 CO -0.09 0.69 0.60 -2.08 0.00 0.00 0.00 176.54 175.67 2zlu h VAL 75 N 0.68 1.15 -0.16 4.60 2.07 -0.90 -1.57 116.25 122.12 2zlu h VAL 75 Ca 0.11 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2zlu h VAL 75 Cb 0.64 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2zlu h VAL 75 CO 0.04 0.21 0.00 1.41 0.02 0.00 0.00 177.57 179.25 2zlu n HIS 76 N -4.44 0.21 -2.74 1.57 -0.00 -0.64 -4.11 115.22 105.06 2zlu n HIS 76 Ca 0.12 -0.10 -0.10 0.00 -0.00 0.00 0.00 57.72 57.64 2zlu n HIS 76 Cb 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.12 2zlu n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2zlu n HIS 77 N 0.30 0.98 0.26 4.41 8.25 -0.61 -4.97 115.22 123.84 2zlu n HIS 77 Ca 0.16 -2.95 0.13 0.00 -0.26 0.00 0.00 57.72 54.80 2zlu n HIS 77 Cb 0.32 -0.38 0.72 0.00 1.12 0.00 0.00 29.99 31.77 2zlu n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2zlu h LEU 78 N 3.00 0.00 0.00 2.41 3.38 -1.65 -1.60 115.31 120.85 2zlu h LEU 78 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2zlu h LEU 78 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2zlu h LEU 78 CO 0.50 0.12 -0.17 0.47 0.09 0.00 0.00 178.44 179.45 2zlu n ASP 79 N -3.55 0.46 -2.60 -0.43 10.43 -1.26 -4.23 116.55 115.37 2zlu n ASP 79 Ca -0.01 0.36 -0.13 0.00 2.57 0.00 0.00 54.79 57.58 2zlu n ASP 79 Cb 0.25 -0.39 0.02 0.00 1.84 0.00 0.00 41.12 42.85 2zlu n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 2zlu n ASN 80 N -1.86 2.44 -0.12 -2.24 4.05 -0.61 -4.92 115.26 112.01 2zlu n ASN 80 Ca 0.06 -2.92 -0.07 0.00 0.45 0.00 0.00 54.58 52.10 2zlu n ASN 80 Cb 0.39 -0.50 0.01 0.00 1.23 0.00 0.00 39.78 40.91 2zlu n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2zlu h LEU 81 N 2.80 0.32 -0.86 1.20 4.07 -1.72 -1.20 115.31 119.92 2zlu h LEU 81 Ca 0.02 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 2zlu h LEU 81 Cb 1.15 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 2zlu h LEU 81 CO 0.56 0.23 0.07 0.11 -1.08 0.00 0.00 178.44 178.33 2zlu h LYS 82 N 0.43 0.92 -0.14 1.13 1.57 -1.91 -1.69 116.57 116.87 2zlu h LYS 82 Ca 0.16 -0.23 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 2zlu h LYS 82 Cb 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2zlu h LYS 82 CO -0.10 0.87 -0.74 0.78 -0.57 0.00 0.00 179.45 179.69 2zlu h GLY 83 N 1.01 0.74 1.45 3.86 0.00 -1.94 -2.32 103.07 105.87 2zlu h GLY 83 Ca 0.17 -1.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 2zlu h GLY 83 CO 0.01 0.92 0.24 -0.84 0.00 0.00 0.00 176.54 176.87 2zlu h THR 84 N 0.47 1.18 -0.46 4.70 2.02 -0.83 -3.18 112.91 116.80 2zlu h THR 84 Ca -0.04 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2zlu h THR 84 Cb 1.35 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2zlu h THR 84 CO 0.15 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.73 2zlu n PHE 85 N -4.37 0.62 -0.33 3.16 3.01 -0.67 -4.69 117.46 114.19 2zlu n PHE 85 Ca 0.04 -0.47 -0.00 0.00 1.01 0.00 0.00 57.45 58.03 2zlu n PHE 85 Cb 0.13 -0.02 0.13 0.00 -0.01 0.00 0.00 39.48 39.72 2zlu n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2zlu h ALA 86 N 2.87 1.21 -0.19 4.37 0.00 -1.39 0.11 119.26 126.24 2zlu h ALA 86 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2zlu h ALA 86 Cb 0.82 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2zlu h ALA 86 CO 0.00 0.39 -0.55 0.00 0.00 0.00 0.00 179.25 179.09 2zlu h ALA 87 N 1.39 0.33 -0.26 0.00 0.00 -1.84 -2.82 119.26 116.07 2zlu h ALA 87 Ca 0.37 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2zlu h ALA 87 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2zlu h ALA 87 CO -0.14 0.54 -0.21 -0.07 0.00 0.00 0.00 179.25 179.37 2zlu h LEU 88 N 0.42 0.47 -0.32 0.00 3.38 -1.80 -2.40 115.31 115.05 2zlu h LEU 88 Ca -0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2zlu h LEU 88 Cb 1.17 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2zlu h LEU 88 CO 0.12 0.69 0.16 -1.28 0.09 0.00 0.00 178.44 178.22 2zlu h SER 89 N 0.42 0.24 -0.15 -0.43 0.87 -0.70 -1.92 113.55 111.89 2zlu h SER 89 Ca 0.07 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2zlu h SER 89 Cb 0.61 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 2zlu h SER 89 CO 0.04 0.18 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.39 2zlu h GLU 90 N 0.34 -0.03 -0.33 2.24 4.81 -1.38 -1.26 114.58 118.96 2zlu h GLU 90 Ca 0.13 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2zlu h GLU 90 Cb 0.05 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 2zlu h GLU 90 CO -0.09 -0.02 0.00 1.25 -0.73 0.00 0.00 179.01 179.42 2zlu h LEU 91 N -0.03 -0.13 -0.46 1.64 5.85 -1.28 0.14 115.31 121.04 2zlu h LEU 91 Ca 0.08 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 2zlu h LEU 91 Cb 0.14 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2zlu h LEU 91 CO -0.17 -0.03 -0.41 0.45 -0.34 0.00 0.00 178.44 177.94 2zlu h HIS 92 N 0.10 0.99 0.18 1.25 3.86 -1.10 -1.64 115.15 118.79 2zlu h HIS 92 Ca 0.16 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2zlu h HIS 92 Cb 0.22 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2zlu h HIS 92 CO -0.23 1.09 -0.09 0.00 0.86 0.00 0.00 177.93 179.56 2zlu h ASP 94 N -0.61 0.34 0.10 0.00 3.45 -0.85 -2.78 116.42 116.07 2zlu h ASP 94 Ca -0.03 -0.42 -0.33 0.00 0.43 0.00 0.00 57.03 56.68 2zlu h ASP 94 Cb 0.19 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 2zlu h ASP 94 CO 0.04 0.69 -1.79 0.50 -1.57 0.00 0.00 179.24 177.11 2zlu h LYS 95 N -0.01 0.21 0.00 3.56 3.64 -1.55 -3.42 116.57 119.00 2zlu h LYS 95 Ca 0.03 -0.35 -0.27 0.00 -1.27 0.00 0.00 60.65 58.79 2zlu h LYS 95 Cb 0.57 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 2zlu h LYS 95 CO 0.02 1.17 -2.09 1.28 -2.27 0.00 0.00 179.45 177.57 2zlu n LEU 96 N -3.74 0.24 -3.50 5.20 4.77 -0.65 -5.02 117.00 114.31 2zlu n LEU 96 Ca -0.32 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.58 2zlu n LEU 96 Cb 0.96 0.31 0.08 0.00 -2.33 0.00 0.00 43.42 42.44 2zlu n LEU 96 CO 0.37 0.35 0.15 1.41 -1.33 0.00 0.00 177.39 178.34 2zlu n HIS 97 N -2.73 -2.42 -3.02 -1.77 8.25 0.12 -4.98 115.22 108.67 2zlu n HIS 97 Ca -0.23 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 57.80 2zlu n HIS 97 Cb 1.00 -5.05 -0.05 0.00 1.12 0.00 0.00 29.99 27.01 2zlu n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2zlu s VAL 98 N -3.35 5.00 0.20 1.59 1.01 -0.81 -5.02 120.40 119.02 2zlu s VAL 98 Ca 0.20 1.44 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 2zlu s VAL 98 Cb -0.09 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 2zlu s VAL 98 CO 0.73 0.17 1.54 -0.62 0.00 0.00 0.00 175.10 176.93 2zlu s ASP 99 N 0.95 6.57 0.62 3.32 2.15 -1.26 -4.76 116.67 124.26 2zlu s ASP 99 Ca 0.36 2.67 0.32 0.00 0.43 0.00 0.00 52.55 56.33 2zlu s ASP 99 Cb -0.17 -2.61 1.79 0.00 -0.30 0.00 0.00 42.92 41.63 2zlu s ASP 99 CO 0.15 -0.81 2.11 -0.65 -0.17 0.00 0.00 175.17 175.81 2zlu h PRO 100 N 6.13 0.00 -0.21 4.34 0.11 -1.97 -1.92 132.00 138.48 2zlu h PRO 100 Ca -0.44 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 2zlu h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2zlu h PRO 100 CO 0.87 0.00 0.14 1.49 -0.21 0.00 0.00 178.00 180.29 2zlu h GLU 101 N 0.00 0.12 0.00 1.05 4.22 -1.99 -1.61 114.58 116.37 2zlu h GLU 101 Ca 0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 2zlu h GLU 101 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2zlu h GLU 101 CO -0.00 0.08 -0.19 -0.91 -2.18 0.00 0.00 179.01 175.81 2zlu h ASN 102 N 0.12 0.00 -0.54 1.04 2.35 -1.72 -2.53 115.58 114.30 2zlu h ASN 102 Ca 0.09 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 2zlu h ASN 102 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2zlu h ASN 102 CO -0.01 0.19 0.00 -0.26 -1.65 0.00 0.00 177.43 175.70 2zlu h PHE 103 N 0.00 1.07 -0.62 1.19 0.04 -1.45 -1.54 116.94 115.62 2zlu h PHE 103 Ca -0.00 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 2zlu h PHE 103 Cb 0.51 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2zlu h PHE 103 CO 0.00 0.95 0.04 -0.09 -0.60 0.00 0.00 178.31 178.61 2zlu h ARG 104 N 0.91 1.07 0.16 1.51 2.43 -1.52 -2.17 114.38 116.76 2zlu h ARG 104 Ca 0.17 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2zlu h ARG 104 Cb 0.52 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2zlu h ARG 104 CO 0.03 1.01 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.35 2zlu h LEU 105 N 0.98 -0.18 -0.64 3.80 3.38 -1.31 -0.83 115.31 120.52 2zlu h LEU 105 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2zlu h LEU 105 Cb 0.51 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2zlu h LEU 105 CO 0.02 -0.13 0.39 0.25 0.09 0.00 0.00 178.44 179.07 2zlu h LEU 106 N -0.22 0.76 -0.42 1.67 5.85 -1.30 -0.41 115.31 121.24 2zlu h LEU 106 Ca -0.02 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2zlu h LEU 106 Cb 0.17 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2zlu h LEU 106 CO 0.04 0.59 0.07 1.23 -0.34 0.00 0.00 178.44 180.02 2zlu h GLY 107 N 0.87 0.48 1.03 3.75 0.00 -1.21 -0.27 103.07 107.72 2zlu h GLY 107 Ca 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 2zlu h GLY 107 CO -0.04 -0.06 0.26 3.43 0.00 0.00 0.00 176.54 180.13 2zlu h ASN 108 N 0.19 1.01 -0.83 0.19 2.35 -0.80 -1.95 115.58 115.74 2zlu h ASN 108 Ca 0.21 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2zlu h ASN 108 Cb 0.26 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2zlu h ASN 108 CO -0.28 0.93 0.53 0.58 -1.65 0.00 0.00 177.43 177.53 2zlu h VAL 109 N 1.04 1.11 -0.75 2.81 2.07 -0.72 -1.81 116.25 120.00 2zlu h VAL 109 Ca 0.24 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2zlu h VAL 109 Cb 0.25 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2zlu h VAL 109 CO -0.01 0.19 0.33 0.25 0.02 0.00 0.00 177.57 178.34 2zlu h LEU 110 N 1.01 1.01 -0.87 2.57 5.85 -0.79 -1.10 115.31 123.01 2zlu h LEU 110 Ca 0.34 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2zlu h LEU 110 Cb 0.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2zlu h LEU 110 CO -0.13 0.89 0.48 0.58 -0.34 0.00 0.00 178.44 179.93 2zlu h VAL 111 N 1.07 1.25 -0.75 1.05 2.07 -0.99 -0.71 116.25 119.25 2zlu h VAL 111 Ca 0.26 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2zlu h VAL 111 Cb 0.17 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 2zlu h VAL 111 CO -0.03 0.28 0.23 0.58 0.02 0.00 0.00 177.57 178.65 2zlu h VAL 112 N 1.21 1.26 -0.25 2.57 2.07 -0.77 -0.94 116.25 121.40 2zlu h VAL 112 Ca 0.31 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2zlu h VAL 112 Cb 0.01 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2zlu h VAL 112 CO -0.05 0.36 0.01 0.58 0.02 0.00 0.00 177.57 178.49 2zlu h VAL 113 N 1.12 1.25 -0.57 2.57 2.07 -0.87 -0.97 116.25 120.85 2zlu h VAL 113 Ca 0.24 -0.88 0.11 0.00 0.82 0.00 0.00 66.70 66.99 2zlu h VAL 113 Cb 0.32 1.34 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 2zlu h VAL 113 CO -0.01 0.28 0.07 -0.07 0.02 0.00 0.00 177.57 177.87 2zlu h LEU 114 N 0.21 -0.09 -0.67 2.57 3.38 -0.96 -0.57 115.31 119.18 2zlu h LEU 114 Ca 0.07 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2zlu h LEU 114 Cb 0.40 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2zlu h LEU 114 CO 0.01 -0.03 0.36 0.00 0.09 0.00 0.00 178.44 178.87 2zlu h ALA 115 N 1.47 0.90 -0.49 1.53 0.00 -0.97 -1.39 119.26 120.31 2zlu h ALA 115 Ca 0.29 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2zlu h ALA 115 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2zlu h ALA 115 CO -0.42 0.01 0.18 -0.09 0.00 0.00 0.00 179.25 178.94 2zlu h ARG 116 N 0.65 0.75 -0.01 0.00 2.43 -0.61 -1.65 114.38 115.94 2zlu h ARG 116 Ca 0.31 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 2zlu h ARG 116 Cb 0.23 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2zlu h ARG 116 CO -0.21 0.68 -0.70 0.45 -1.51 0.00 0.00 179.97 178.69 2zlu h HIS 117 N 0.66 0.09 0.00 2.20 3.86 -0.83 -3.35 115.15 117.77 2zlu h HIS 117 Ca 0.16 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2zlu h HIS 117 Cb 0.23 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2zlu h HIS 117 CO 0.01 0.74 -1.07 1.19 0.86 0.00 0.00 177.93 179.66 2zlu n PHE 118 N -3.74 0.00 0.00 2.45 3.01 -0.55 -5.05 117.46 113.58 2zlu n PHE 118 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2zlu n PHE 118 Cb 0.68 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 2zlu n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zlu n GLY 119 N 1.48 3.34 0.30 1.37 0.00 -0.62 -2.37 105.19 108.69 2zlu n GLY 119 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.14 2zlu n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zlu h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.97 0.11 116.57 117.89 2zlu h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2zlu h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2zlu h LYS 120 CO 0.00 0.03 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.44 2zlu h ASP 121 N 0.00 0.00 -2.04 0.86 3.32 -1.88 -3.29 116.42 113.39 2zlu h ASP 121 Ca -0.00 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.29 2zlu h ASP 121 Cb 0.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.54 2zlu h ASP 121 CO 0.00 0.03 1.50 0.33 -1.72 0.00 0.00 179.24 179.39 2zlu n PHE 122 N -3.25 3.80 -1.08 4.55 7.35 0.38 -4.96 117.46 124.25 2zlu n PHE 122 Ca -0.02 -3.07 -0.31 0.00 -0.76 0.00 0.00 57.45 53.30 2zlu n PHE 122 Cb 0.19 -1.93 0.13 0.00 0.35 0.00 0.00 39.48 38.21 2zlu n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2zlu s THR 123 N 0.28 2.82 0.32 -2.13 -4.23 -1.24 -4.74 115.64 106.72 2zlu s THR 123 Ca 0.39 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 61.22 2zlu s THR 123 Cb 0.03 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.56 2zlu s THR 123 CO 0.01 -0.35 1.84 -0.65 -0.54 0.00 0.00 174.62 174.93 2zlu h PRO 124 N -1.47 0.79 -0.35 3.99 0.11 -1.94 -0.68 132.00 132.44 2zlu h PRO 124 Ca -0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2zlu h PRO 124 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2zlu h PRO 124 CO 0.50 0.52 -0.21 0.93 -0.21 0.00 0.00 178.00 179.52 2zlu h GLU 125 N 0.81 0.77 -0.43 1.05 3.07 -1.99 -1.75 114.58 116.11 2zlu h GLU 125 Ca 0.50 -0.35 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2zlu h GLU 125 Cb 0.69 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2zlu h GLU 125 CO -0.26 0.97 -0.06 1.25 -1.40 0.00 0.00 179.01 179.51 2zlu h LEU 126 N 0.55 0.80 -0.86 1.33 5.85 -1.80 -2.13 115.31 119.06 2zlu h LEU 126 Ca 0.07 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.51 2zlu h LEU 126 Cb 0.77 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2zlu h LEU 126 CO 0.06 0.96 0.54 -0.61 -0.34 0.00 0.00 178.44 179.04 2zlu h GLN 127 N 0.64 0.97 -0.85 1.25 4.15 -1.16 -0.91 115.11 119.20 2zlu h GLN 127 Ca 0.11 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.53 2zlu h GLN 127 Cb 0.58 -0.22 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 2zlu h GLN 127 CO 0.03 0.64 0.54 0.00 -1.93 0.00 0.00 178.83 178.11 2zlu h ALA 128 N 1.39 1.15 -0.34 3.38 0.00 -0.98 0.18 119.26 124.04 2zlu h ALA 128 Ca 0.37 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 2zlu h ALA 128 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2zlu h ALA 128 CO -0.16 0.32 -0.01 0.77 0.00 0.00 0.00 179.25 180.18 2zlu h SER 129 N 1.01 0.60 -0.28 0.00 0.02 -0.83 -2.88 113.55 111.18 2zlu h SER 129 Ca 0.36 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2zlu h SER 129 Cb 0.10 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2zlu h SER 129 CO -0.15 0.76 0.17 1.88 -1.14 0.00 0.00 176.83 178.36 2zlu h TYR 130 N 0.41 0.37 -0.68 3.45 0.05 -0.14 -1.76 116.97 118.67 2zlu h TYR 130 Ca 0.10 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 2zlu h TYR 130 Cb 0.46 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 2zlu h TYR 130 CO 0.04 0.25 0.30 1.96 -1.05 0.00 0.00 178.16 179.65 2zlu h GLN 131 N 0.39 1.00 -0.25 4.88 1.08 -0.55 -0.37 115.11 121.30 2zlu h GLN 131 Ca 0.10 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2zlu h GLN 131 Cb -0.02 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.21 2zlu h GLN 131 CO -0.02 0.81 0.01 0.87 -0.95 0.00 0.00 178.83 179.56 2zlu h LYS 132 N 0.96 0.09 0.07 1.46 1.57 -1.13 -1.28 116.57 118.32 2zlu h LYS 132 Ca 0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2zlu h LYS 132 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2zlu h LYS 132 CO -0.02 0.06 -0.06 0.28 -0.57 0.00 0.00 179.45 179.13 2zlu h VAL 133 N 0.09 0.86 -0.60 0.50 2.07 -1.12 -1.18 116.25 116.87 2zlu h VAL 133 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 2zlu h VAL 133 Cb 0.14 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2zlu h VAL 133 CO -0.19 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.24 2zlu h VAL 134 N -0.14 0.82 -0.39 2.57 2.07 -1.03 0.56 116.25 120.71 2zlu h VAL 134 Ca 0.00 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 2zlu h VAL 134 Cb 0.14 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2zlu h VAL 134 CO -0.01 0.08 -0.24 0.00 0.02 0.00 0.00 177.57 177.42 2zlu h ALA 135 N 1.39 0.85 -0.44 1.67 0.00 -1.09 -1.03 119.26 120.61 2zlu h ALA 135 Ca 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2zlu h ALA 135 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2zlu h ALA 135 CO -0.27 0.64 0.25 0.78 0.00 0.00 0.00 179.25 180.65 2zlu h GLY 136 N 0.96 0.64 0.85 0.00 0.00 -0.21 -1.06 103.07 104.25 2zlu h GLY 136 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2zlu h GLY 136 CO 0.06 0.27 0.01 -2.08 0.00 0.00 0.00 176.54 174.80 2zlu h VAL 137 N 0.57 1.13 -0.77 4.60 2.07 -0.77 -1.50 116.25 121.58 2zlu h VAL 137 Ca 0.16 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.38 2zlu h VAL 137 Cb 0.02 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2zlu h VAL 137 CO -0.03 0.11 0.41 0.00 0.02 0.00 0.00 177.57 178.08 2zlu h ALA 138 N 0.86 1.09 -0.53 1.67 0.00 -1.10 -1.56 119.26 119.68 2zlu h ALA 138 Ca 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2zlu h ALA 138 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2zlu h ALA 138 CO -0.00 0.00 0.05 -0.91 0.00 0.00 0.00 179.25 178.39 2zlu h ASN 139 N 0.67 0.82 0.32 0.00 2.35 -1.04 -2.34 115.58 116.37 2zlu h ASN 139 Ca 0.38 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 2zlu h ASN 139 Cb 0.40 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2zlu h ASN 139 CO -0.27 0.86 -0.50 0.00 -1.65 0.00 0.00 177.43 175.86 2zlu h ALA 140 N 1.24 1.01 0.00 -0.83 0.00 -0.69 -2.73 119.26 117.25 2zlu h ALA 140 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2zlu h ALA 140 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2zlu h ALA 140 CO 0.01 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.85 2zlu h LEU 141 N 0.17 0.00 0.00 0.00 3.38 -1.18 -3.23 115.31 114.45 2zlu h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2zlu h LEU 141 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2zlu h LEU 141 CO 0.08 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 178.17 2zlu n ALA 142 N -2.01 2.84 -0.02 1.53 0.00 -0.89 -4.49 120.51 117.46 2zlu n ALA 142 Ca 0.04 -0.21 0.06 0.00 0.00 0.00 0.00 53.44 53.33 2zlu n ALA 142 Cb 0.49 -1.24 0.44 0.00 0.00 0.00 0.00 19.45 19.13 2zlu n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2zlu h HIS 143 N 0.00 0.50 -0.90 0.00 6.17 -1.52 -2.53 115.15 116.87 2zlu h HIS 143 Ca 0.00 0.01 -0.43 0.00 0.71 0.00 0.00 60.37 60.66 2zlu h HIS 143 Cb 0.69 -0.17 -0.26 0.00 2.52 0.00 0.00 27.41 30.19 2zlu h HIS 143 CO 0.00 0.30 0.55 1.63 0.71 0.00 0.00 177.93 181.12 2zlu n LYS 144 N -4.47 2.49 0.00 5.26 5.02 -1.26 -5.15 118.16 120.04 2zlu n LYS 144 Ca 0.05 -2.87 0.12 0.00 -2.02 0.00 0.00 58.31 53.59 2zlu n LYS 144 Cb 0.14 -2.13 0.20 0.00 -0.02 0.00 0.00 35.03 33.21 2zlu n LYS 144 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54