#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nku s GLU 2 N 0.00 2.68 0.06 2.12 2.02 -0.88 -4.97 118.70 119.73 1nku s GLU 2 Ca 0.00 -1.26 -0.06 0.00 0.02 0.00 0.00 54.97 53.68 1nku s GLU 2 Cb 0.00 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.81 1nku s GLU 2 CO 0.00 0.27 0.10 -0.98 0.02 0.00 0.00 175.26 174.67 1nku s ARG 3 N -3.85 0.71 0.34 1.61 1.70 -1.26 -1.85 118.95 116.35 1nku s ARG 3 Ca 0.35 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 1nku s ARG 3 Cb -0.06 0.27 -0.11 0.00 -0.57 0.00 0.00 34.95 34.48 1nku s ARG 3 CO 0.24 -0.19 1.50 0.00 -1.08 0.00 0.00 175.30 175.77 1nku n GLY 5 N 1.05 -0.56 0.40 0.00 0.00 -1.26 -4.46 105.19 100.35 1nku n GLY 5 Ca 0.04 -0.32 0.22 0.00 0.00 0.00 0.00 46.02 45.96 1nku n GLY 5 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1nku h TRP 6 N 0.00 0.00 -2.24 1.61 5.08 -2.03 -3.41 115.95 114.96 1nku h TRP 6 Ca 0.00 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.36 1nku h TRP 6 Cb 0.57 0.00 0.07 0.00 -3.00 0.00 0.00 29.16 26.80 1nku h TRP 6 CO 0.00 0.00 0.59 1.33 -1.28 0.00 0.00 178.44 179.08 1nku n VAL 7 N -4.20 0.45 -1.43 0.12 0.24 -1.26 -4.94 118.33 107.31 1nku n VAL 7 Ca 0.11 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1nku n VAL 7 Cb 0.67 -1.27 0.15 0.00 -1.47 0.00 0.00 33.84 31.92 1nku n VAL 7 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1nku s SER 8 N 0.48 3.16 0.53 -1.34 1.04 -1.26 -4.89 113.70 111.42 1nku s SER 8 Ca 0.75 0.99 0.23 0.00 0.48 0.00 0.00 55.95 58.40 1nku s SER 8 Cb -0.75 -1.56 1.38 0.00 0.10 0.00 0.00 66.02 65.19 1nku s SER 8 CO 0.46 -2.77 2.04 1.56 0.98 0.00 0.00 173.24 175.50 1nku h GLN 9 N -1.65 0.00 -6.39 4.02 7.50 -1.94 -3.43 115.11 113.22 1nku h GLN 9 Ca -0.51 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.00 1nku h GLN 9 Cb 1.33 0.00 0.07 0.00 0.05 0.00 0.00 27.48 28.93 1nku h GLN 9 CO 0.60 0.00 0.41 -3.47 -1.50 0.00 0.00 178.83 174.87 1nku n ASP 10 N -4.39 1.82 0.19 1.46 2.03 -1.26 -4.85 116.55 111.55 1nku n ASP 10 Ca 0.06 1.13 0.05 0.00 0.52 0.00 0.00 54.79 56.56 1nku n ASP 10 Cb 0.47 -1.27 0.36 0.00 -0.72 0.00 0.00 41.12 39.95 1nku n ASP 10 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nku h PRO 11 N 3.91 0.00 -0.55 -0.67 0.13 -2.01 -3.09 132.00 129.71 1nku h PRO 11 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1nku h PRO 11 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1nku h PRO 11 CO 0.74 0.37 0.19 1.25 -0.23 0.00 0.00 178.00 180.32 1nku h LEU 12 N 0.00 0.75 0.35 1.56 5.85 -1.93 0.13 115.31 122.02 1nku h LEU 12 Ca -0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1nku h LEU 12 Cb 0.85 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1nku h LEU 12 CO 0.05 0.70 -0.30 1.88 -0.34 0.00 0.00 178.44 180.43 1nku h TYR 13 N 0.80 -0.79 -0.48 1.25 0.05 -1.86 0.37 116.97 116.32 1nku h TYR 13 Ca 0.19 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.90 1nku h TYR 13 Cb 0.21 0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1nku h TYR 13 CO 0.01 -0.43 0.01 0.82 -1.05 0.00 0.00 178.16 177.52 1nku h ILE 14 N -0.66 1.24 -0.67 -2.88 2.04 -1.61 -1.13 117.51 113.84 1nku h ILE 14 Ca -0.03 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1nku h ILE 14 Cb 0.58 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1nku h ILE 14 CO -0.02 0.35 0.43 0.00 0.00 0.00 0.00 178.15 178.90 1nku h ALA 15 N 1.27 0.87 -0.59 1.87 0.00 -0.29 0.17 119.26 122.56 1nku h ALA 15 Ca 0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1nku h ALA 15 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1nku h ALA 15 CO 0.02 0.21 -0.02 -0.92 0.00 0.00 0.00 179.25 178.54 1nku h TYR 16 N 0.85 1.15 0.16 0.00 3.20 -0.52 0.36 116.97 122.17 1nku h TYR 16 Ca 0.26 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1nku h TYR 16 Cb -0.01 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 37.96 1nku h TYR 16 CO -0.04 1.02 -0.08 1.25 -1.64 0.00 0.00 178.16 178.68 1nku h HIS 17 N 0.96 -0.20 -0.12 -3.82 2.76 -0.07 0.11 115.15 114.77 1nku h HIS 17 Ca 0.17 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.19 1nku h HIS 17 Cb 0.58 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 1nku h HIS 17 CO 0.04 -0.10 -0.54 -0.44 -1.30 0.00 0.00 177.93 175.58 1nku h ASP 18 N -0.25 0.38 0.00 3.26 3.32 -0.61 -3.36 116.42 119.17 1nku h ASP 18 Ca -0.02 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1nku h ASP 18 Cb 0.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1nku h ASP 18 CO 0.04 0.85 0.00 0.59 -1.72 0.00 0.00 179.24 179.00 1nku n ASN 19 N -3.93 0.00 -3.65 6.45 3.02 0.12 -4.88 115.26 112.39 1nku n ASN 19 Ca -0.02 0.63 -0.17 0.00 -0.03 0.00 0.00 54.58 54.98 1nku n ASN 19 Cb 0.58 -0.44 -0.16 0.00 -0.61 0.00 0.00 39.78 39.16 1nku n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1nku s GLU 20 N -1.60 0.03 -0.30 3.52 0.41 0.37 -5.06 118.70 116.07 1nku s GLU 20 Ca 0.00 0.51 -0.13 0.00 -0.41 0.00 0.00 54.97 54.94 1nku s GLU 20 Cb 0.00 -0.40 0.18 0.00 -1.78 0.00 0.00 34.13 32.13 1nku s GLU 20 CO 0.00 -0.34 1.08 -0.46 -0.49 0.00 0.00 175.26 175.04 1nku s TRP 21 N 2.28 -0.42 0.00 1.61 -0.00 -1.25 -4.49 118.94 116.68 1nku s TRP 21 Ca 0.03 0.30 0.00 0.00 -0.00 0.00 0.00 56.10 56.44 1nku s TRP 21 Cb -0.12 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.44 1nku s TRP 21 CO -0.06 -0.24 0.00 0.41 -0.00 0.00 0.00 176.95 177.06 1nku n GLY 22 N 5.22 1.33 3.75 5.86 0.00 -1.19 -5.00 105.19 115.16 1nku n GLY 22 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1nku n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nku s VAL 23 N -2.38 3.53 0.21 1.61 -7.23 -1.26 -4.29 120.40 110.59 1nku s VAL 23 Ca 0.00 1.44 -0.31 0.00 -1.81 0.00 0.00 61.98 61.30 1nku s VAL 23 Cb 0.00 -3.92 -0.11 0.00 0.56 0.00 0.00 36.38 32.91 1nku s VAL 23 CO 0.00 0.30 1.59 -2.16 -0.31 0.00 0.00 175.10 174.53 1nku s PRO 24 N -1.00 4.18 -0.10 4.82 0.04 -1.24 -3.54 135.00 138.16 1nku s PRO 24 Ca 0.47 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.98 1nku s PRO 24 Cb -0.32 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1nku s PRO 24 CO 0.40 -0.62 -0.12 -2.00 0.04 0.00 0.00 177.00 174.70 1nku s GLU 25 N 0.63 3.07 0.00 4.56 2.56 0.60 -4.95 118.70 125.17 1nku s GLU 25 Ca 0.68 -0.65 0.07 0.00 0.00 0.00 0.00 54.97 55.08 1nku s GLU 25 Cb -0.46 -2.58 0.15 0.00 2.00 0.00 0.00 34.13 33.24 1nku s GLU 25 CO 0.36 0.40 1.01 0.25 -0.56 0.00 0.00 175.26 176.72 1nku n THR 26 N 2.98 0.61 -2.90 -1.70 -2.24 -1.26 -4.95 114.28 104.83 1nku n THR 26 Ca -0.18 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.37 1nku n THR 26 Cb 0.53 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 1nku n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nku s ASP 27 N -0.86 6.65 0.28 3.42 -1.08 -1.26 -4.91 116.67 118.92 1nku s ASP 27 Ca 0.13 0.57 0.01 0.00 -0.52 0.00 0.00 52.55 52.74 1nku s ASP 27 Cb 0.08 -2.42 0.42 0.00 -1.46 0.00 0.00 42.92 39.53 1nku s ASP 27 CO 0.10 -0.71 1.78 0.28 0.52 0.00 0.00 175.17 177.14 1nku h SER 28 N 8.30 0.62 -0.59 -0.34 0.02 -1.97 -2.90 113.55 116.69 1nku h SER 28 Ca -0.24 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1nku h SER 28 Cb 1.09 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1nku h SER 28 CO 0.92 0.74 0.35 0.11 -1.14 0.00 0.00 176.83 177.80 1nku h LYS 29 N 0.59 0.80 -0.69 3.45 1.57 -2.00 -1.72 116.57 118.57 1nku h LYS 29 Ca 0.11 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1nku h LYS 29 Cb 0.48 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1nku h LYS 29 CO 0.03 0.58 0.25 0.87 -0.57 0.00 0.00 179.45 180.61 1nku h LYS 30 N 0.79 1.03 -0.57 3.15 1.57 -1.93 -2.52 116.57 118.09 1nku h LYS 30 Ca 0.21 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1nku h LYS 30 Cb -0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1nku h LYS 30 CO -0.04 0.85 0.06 -0.07 -0.57 0.00 0.00 179.45 179.68 1nku h LEU 31 N 1.00 0.89 0.00 2.94 3.38 -1.26 0.62 115.31 122.89 1nku h LEU 31 Ca 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1nku h LEU 31 Cb 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nku h LEU 31 CO -0.02 0.92 -0.02 -0.26 0.09 0.00 0.00 178.44 179.15 1nku h PHE 32 N 0.87 -0.05 -0.24 1.13 0.04 -0.90 -1.59 116.94 116.21 1nku h PHE 32 Ca 0.17 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 1nku h PHE 32 Cb 0.43 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1nku h PHE 32 CO 0.03 -0.03 -0.14 1.49 -0.60 0.00 0.00 178.31 179.05 1nku h GLU 33 N -0.04 0.39 -0.05 1.51 4.81 -1.28 -2.86 114.58 117.06 1nku h GLU 33 Ca 0.01 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1nku h GLU 33 Cb 0.05 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1nku h GLU 33 CO -0.02 0.54 0.02 1.98 -0.73 0.00 0.00 179.01 180.80 1nku h MET 34 N 0.37 0.05 -1.00 1.92 4.05 -0.12 -1.23 114.93 118.97 1nku h MET 34 Ca 0.07 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1nku h MET 34 Cb 0.47 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.21 1nku h MET 34 CO 0.03 0.03 0.66 0.82 0.23 0.00 0.00 176.91 178.68 1nku h ILE 35 N 0.05 1.25 -0.36 1.77 1.08 -1.14 0.63 117.51 120.78 1nku h ILE 35 Ca 0.02 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1nku h ILE 35 Cb 0.01 -0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 33.52 1nku h ILE 35 CO -0.02 0.25 0.24 0.00 -0.69 0.00 0.00 178.15 177.92 1nku h LEU 37 N 0.49 0.73 -1.11 0.00 -0.00 -0.60 -2.99 115.31 111.83 1nku h LEU 37 Ca 0.13 -0.65 0.01 0.00 -0.00 0.00 0.00 57.88 57.37 1nku h LEU 37 Cb -0.05 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.35 1nku h LEU 37 CO -0.03 1.27 0.58 -0.33 -0.00 0.00 0.00 178.44 179.92 1nku h GLU 38 N 0.24 1.17 -0.62 1.13 4.39 0.42 -0.76 114.58 120.56 1nku h GLU 38 Ca -0.05 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1nku h GLU 38 Cb 1.27 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 1nku h GLU 38 CO 0.13 0.79 0.28 0.78 -1.16 0.00 0.00 179.01 179.83 1nku h GLY 39 N 1.21 0.97 1.66 -3.84 0.00 -0.97 -2.38 103.07 99.72 1nku h GLY 39 Ca 0.32 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1nku h GLY 39 CO -0.07 0.47 -0.16 -1.61 0.00 0.00 0.00 176.54 175.18 1nku h GLN 40 N 0.86 0.41 -0.98 4.80 5.75 -1.20 -2.63 115.11 122.12 1nku h GLN 40 Ca 0.21 -0.12 0.29 0.00 -0.15 0.00 0.00 58.65 58.88 1nku h GLN 40 Cb 0.14 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1nku h GLN 40 CO -0.02 0.56 0.72 -0.56 -2.65 0.00 0.00 178.83 176.88 1nku h GLN 41 N 0.38 0.00 -5.98 1.69 -0.00 -0.61 -3.37 115.11 107.21 1nku h GLN 41 Ca 0.07 0.00 -0.70 0.00 -0.00 0.00 0.00 58.65 58.02 1nku h GLN 41 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.95 1nku h GLN 41 CO 0.03 0.00 1.39 0.00 -0.00 0.00 0.00 178.83 180.25 1nku n ALA 42 N -2.71 0.83 0.00 0.06 0.00 -0.99 0.52 120.51 118.21 1nku n ALA 42 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1nku n ALA 42 Cb 1.06 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1nku n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 43 N 6.83 2.72 0.00 0.00 0.00 -1.26 -5.01 105.19 108.47 1nku n GLY 43 Ca 0.45 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1nku n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nku n LEU 44 N 0.00 0.00 -4.37 0.99 7.99 0.18 -5.08 117.00 116.71 1nku n LEU 44 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.75 1nku n LEU 44 Cb 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.19 1nku n LEU 44 CO 0.00 -0.35 -0.51 -0.94 -1.51 0.00 0.00 177.39 174.08 1nku s SER 45 N -1.10 3.02 0.23 -1.43 1.04 -1.26 -4.97 113.70 109.23 1nku s SER 45 Ca 0.00 -0.83 -0.07 0.00 0.48 0.00 0.00 55.95 55.53 1nku s SER 45 Cb 0.00 -0.20 0.27 0.00 0.10 0.00 0.00 66.02 66.19 1nku s SER 45 CO 0.00 0.06 1.87 -0.25 0.98 0.00 0.00 173.24 175.90 1nku h TRP 46 N 3.40 1.00 -0.83 5.02 2.91 -1.98 -1.63 115.95 123.85 1nku h TRP 46 Ca -0.45 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.58 1nku h TRP 46 Cb 1.20 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 1nku h TRP 46 CO 0.67 0.56 0.45 0.97 -1.03 0.00 0.00 178.44 180.06 1nku h ILE 47 N 1.03 1.24 -0.58 2.65 6.09 -2.00 -1.66 117.51 124.29 1nku h ILE 47 Ca 0.34 -0.61 -0.10 0.00 -1.37 0.00 0.00 64.86 63.12 1nku h ILE 47 Cb 0.05 0.14 -0.02 0.00 0.47 0.00 0.00 36.82 37.46 1nku h ILE 47 CO -0.13 0.27 -0.02 0.74 -3.07 0.00 0.00 178.15 175.95 1nku h THR 48 N 1.15 1.26 -0.44 2.19 2.02 -1.81 -2.75 112.91 114.53 1nku h THR 48 Ca 0.29 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1nku h THR 48 Cb 0.04 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1nku h THR 48 CO -0.05 0.41 0.10 0.58 0.37 0.00 0.00 175.52 176.93 1nku h VAL 49 N 0.93 1.24 0.44 3.16 2.07 -0.81 0.14 116.25 123.41 1nku h VAL 49 Ca 0.16 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1nku h VAL 49 Cb 0.56 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1nku h VAL 49 CO 0.03 0.29 -0.21 -0.07 0.02 0.00 0.00 177.57 177.63 1nku h LEU 50 N 0.58 -0.51 -0.61 2.57 3.38 -1.22 1.52 115.31 121.03 1nku h LEU 50 Ca 0.14 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nku h LEU 50 Cb 0.34 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1nku h LEU 50 CO 0.00 -0.27 0.38 0.11 0.09 0.00 0.00 178.44 178.76 1nku h LYS 51 N -0.72 0.73 -0.17 1.13 1.57 -1.50 -0.19 116.57 117.41 1nku h LYS 51 Ca -0.06 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1nku h LYS 51 Cb 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1nku h LYS 51 CO 0.10 0.48 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.12 1nku h LYS 52 N 0.75 0.27 -0.76 3.15 3.64 -0.49 -2.68 116.57 120.45 1nku h LYS 52 Ca 0.24 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1nku h LYS 52 Cb -0.01 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.70 1nku h LYS 52 CO -0.09 0.40 0.39 -0.09 -2.27 0.00 0.00 179.45 177.79 1nku h ARG 53 N 0.25 0.62 -0.18 1.90 2.43 0.41 1.92 114.38 121.73 1nku h ARG 53 Ca 0.05 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1nku h ARG 53 Cb 0.38 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1nku h ARG 53 CO 0.02 0.41 -0.17 1.49 -1.51 0.00 0.00 179.97 180.21 1nku h GLU 54 N 0.64 0.43 -0.53 0.20 4.57 -1.35 -2.32 114.58 116.22 1nku h GLU 54 Ca 0.38 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1nku h GLU 54 Cb 0.43 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1nku h GLU 54 CO -0.29 0.79 0.00 -0.97 -1.18 0.00 0.00 179.01 177.36 1nku h ASN 55 N 0.09 0.86 -0.78 1.04 -0.73 -1.18 -2.59 115.58 112.30 1nku h ASN 55 Ca 0.03 -0.22 0.05 0.00 1.87 0.00 0.00 56.30 58.03 1nku h ASN 55 Cb 0.71 -0.23 -0.05 0.00 0.27 0.00 0.00 38.32 39.01 1nku h ASN 55 CO 0.04 0.92 0.48 0.22 -0.37 0.00 0.00 177.43 178.72 1nku h TYR 56 N 0.83 0.88 -0.93 0.67 5.03 0.31 -1.08 116.97 122.69 1nku h TYR 56 Ca 0.16 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.54 1nku h TYR 56 Cb 0.49 -0.28 -0.06 0.00 1.55 0.00 0.00 36.73 38.42 1nku h TYR 56 CO 0.03 0.46 0.60 -0.09 -1.32 0.00 0.00 178.16 177.84 1nku h ARG 57 N 0.89 1.09 0.00 1.82 2.43 -1.01 0.70 114.38 120.30 1nku h ARG 57 Ca 0.33 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1nku h ARG 57 Cb 0.12 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1nku h ARG 57 CO -0.15 0.72 -0.08 0.00 -1.51 0.00 0.00 179.97 178.96 1nku h ALA 58 N 1.40 1.15 0.05 2.80 0.00 -1.09 -0.01 119.26 123.56 1nku h ALA 58 Ca 0.38 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 58 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1nku h ALA 58 CO -0.14 0.10 -1.55 0.00 0.00 0.00 0.00 179.25 177.66 1nku n PHE 60 N -4.07 0.00 -0.35 0.00 3.72 -0.46 -4.60 117.46 111.69 1nku n PHE 60 Ca -0.32 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.09 1nku n PHE 60 Cb 0.83 -0.13 0.16 0.00 -0.94 0.00 0.00 39.48 39.40 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nku h HIS 61 N 0.00 1.19 -0.39 1.38 2.76 -1.12 0.18 115.15 119.16 1nku h HIS 61 Ca 0.00 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1nku h HIS 61 Cb 0.30 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1nku h HIS 61 CO 0.00 0.68 0.26 1.96 -1.30 0.00 0.00 177.93 179.53 1nku h GLN 62 N 1.22 0.42 -2.75 5.26 4.20 -1.81 -2.80 115.11 118.85 1nku h GLN 62 Ca 0.39 -0.03 -0.80 0.00 0.06 0.00 0.00 58.65 58.28 1nku h GLN 62 Cb 0.02 -0.10 -0.29 0.00 0.30 0.00 0.00 27.48 27.41 1nku h GLN 62 CO -0.12 0.28 0.74 1.19 -0.67 0.00 0.00 178.83 180.24 1nku n PHE 63 N -4.48 2.41 -0.81 2.96 3.72 0.64 -5.04 117.46 116.86 1nku n PHE 63 Ca 0.04 -2.67 -0.30 0.00 -0.05 0.00 0.00 57.45 54.47 1nku n PHE 63 Cb 0.13 -1.19 0.03 0.00 -0.94 0.00 0.00 39.48 37.51 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nku n ASP 64 N 1.03 -4.32 -0.34 4.37 8.00 -1.06 -3.71 116.55 120.53 1nku n ASP 64 Ca 0.30 0.11 -0.00 0.00 0.71 0.00 0.00 54.79 55.91 1nku n ASP 64 Cb 0.32 -0.56 0.06 0.00 -0.02 0.00 0.00 41.12 40.92 1nku n ASP 64 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1nku h PRO 65 N -0.81 -0.03 -0.96 -0.24 0.11 -1.90 0.16 132.00 128.34 1nku h PRO 65 Ca -0.35 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1nku h PRO 65 Cb 1.07 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1nku h PRO 65 CO 0.18 -0.02 0.63 -0.24 -0.21 0.00 0.00 178.00 178.34 1nku h VAL 66 N -0.03 1.21 -0.69 3.15 3.04 -1.90 -1.20 116.25 119.82 1nku h VAL 66 Ca 0.35 -0.43 -0.03 0.00 -1.01 0.00 0.00 66.70 65.58 1nku h VAL 66 Cb 0.61 -0.16 -0.03 0.00 -2.01 0.00 0.00 31.29 29.70 1nku h VAL 66 CO -0.92 0.23 0.32 0.11 -1.01 0.00 0.00 177.57 176.30 1nku h LYS 67 N 1.26 1.01 -0.06 4.17 1.57 -0.92 -2.29 116.57 121.31 1nku h LYS 67 Ca 0.36 -0.16 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 1nku h LYS 67 Cb -0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1nku h LYS 67 CO -0.10 0.80 -0.75 -0.39 -0.57 0.00 0.00 179.45 178.45 1nku h VAL 68 N 0.97 1.40 0.00 0.50 -1.51 -0.99 -2.15 116.25 114.48 1nku h VAL 68 Ca 0.24 -2.22 -0.01 0.00 -1.23 0.00 0.00 66.70 63.47 1nku h VAL 68 Cb 0.14 2.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1nku h VAL 68 CO -0.03 0.66 -0.07 0.00 -1.23 0.00 0.00 177.57 176.91 1nku h ALA 69 N 0.98 1.35 -0.26 5.19 0.00 -0.96 -1.74 119.26 123.83 1nku h ALA 69 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nku h ALA 69 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nku h ALA 69 CO 0.12 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1nku n ALA 70 N -2.28 2.96 -1.97 0.00 0.00 -0.89 -4.92 120.51 113.43 1nku n ALA 70 Ca -0.02 -2.27 -0.27 0.00 0.00 0.00 0.00 53.44 50.88 1nku n ALA 70 Cb 0.17 -0.70 0.16 0.00 0.00 0.00 0.00 19.45 19.08 1nku n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nku s MET 71 N -2.76 1.05 0.18 0.00 0.23 -0.65 -5.03 119.30 112.31 1nku s MET 71 Ca 0.41 -0.82 0.07 0.00 -1.03 0.00 0.00 55.69 54.33 1nku s MET 71 Cb 0.33 -2.08 -0.04 0.00 -1.53 0.00 0.00 34.83 31.51 1nku s MET 71 CO 0.09 -2.01 0.01 -0.65 -2.03 0.00 0.00 175.02 170.43 1nku s GLN 72 N -5.55 2.45 0.46 3.16 -0.21 -1.26 -5.00 119.66 113.72 1nku s GLN 72 Ca 0.71 -1.09 0.14 0.00 0.02 0.00 0.00 55.36 55.14 1nku s GLN 72 Cb -0.04 -2.38 1.10 0.00 1.00 0.00 0.00 33.01 32.69 1nku s GLN 72 CO 0.49 0.46 2.04 0.93 -2.12 0.00 0.00 175.29 177.09 1nku h GLU 73 N 2.65 0.28 -0.58 2.91 5.08 -1.99 0.80 114.58 123.73 1nku h GLU 73 Ca -0.47 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1nku h GLU 73 Cb 1.20 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1nku h GLU 73 CO 0.59 0.19 0.39 0.93 -1.00 0.00 0.00 179.01 180.10 1nku h GLU 74 N 0.29 0.77 -0.72 2.33 5.08 -2.01 -0.78 114.58 119.54 1nku h GLU 74 Ca 0.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1nku h GLU 74 Cb 0.32 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1nku h GLU 74 CO -0.04 0.51 0.35 -0.44 -1.00 0.00 0.00 179.01 178.39 1nku h ASP 75 N 0.79 0.93 -0.76 1.42 3.32 -1.23 -2.23 116.42 118.65 1nku h ASP 75 Ca 0.21 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1nku h ASP 75 Cb -0.09 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 1nku h ASP 75 CO -0.05 0.78 0.51 0.58 -1.72 0.00 0.00 179.24 179.34 1nku h VAL 76 N 1.02 1.20 -0.43 -1.35 2.07 -1.07 -1.59 116.25 116.10 1nku h VAL 76 Ca 0.25 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1nku h VAL 76 Cb 0.09 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1nku h VAL 76 CO -0.03 0.19 0.13 -0.33 0.02 0.00 0.00 177.57 177.54 1nku h GLU 77 N 1.04 0.63 -0.59 1.57 5.08 -1.17 -2.03 114.58 119.11 1nku h GLU 77 Ca 0.28 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1nku h GLU 77 Cb -0.12 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 1nku h GLU 77 CO -0.06 0.56 0.36 -0.09 -1.00 0.00 0.00 179.01 178.79 1nku h ARG 78 N 0.62 0.70 -0.17 2.33 2.43 -0.89 -1.62 114.38 117.78 1nku h ARG 78 Ca 0.15 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1nku h ARG 78 Cb 0.20 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1nku h ARG 78 CO -0.01 0.46 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.52 1nku h LEU 79 N 0.72 0.35 -1.36 3.80 3.38 -1.17 -2.53 115.31 118.50 1nku h LEU 79 Ca 0.24 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.19 1nku h LEU 79 Cb 0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1nku h LEU 79 CO -0.10 0.66 0.53 0.58 0.09 0.00 0.00 178.44 180.20 1nku h VAL 80 N 0.30 0.91 0.16 1.22 2.07 -0.61 -2.70 116.25 117.60 1nku h VAL 80 Ca 0.04 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1nku h VAL 80 Cb 0.72 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1nku h VAL 80 CO 0.05 0.13 -0.08 1.56 0.02 0.00 0.00 177.57 179.26 1nku h GLN 81 N 0.70 -0.20 -5.25 1.57 4.20 -1.22 -3.44 115.11 111.47 1nku h GLN 81 Ca 0.38 0.01 -0.61 0.00 0.06 0.00 0.00 58.65 58.50 1nku h GLN 81 Cb 0.53 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.23 1nku h GLN 81 CO -0.15 0.07 -0.45 -0.51 -0.67 0.00 0.00 178.83 177.12 1nku s ASP 82 N -5.43 6.23 0.00 1.46 1.01 -1.00 -4.95 116.67 113.99 1nku s ASP 82 Ca -0.08 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.43 1nku s ASP 82 Cb 0.00 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1nku s ASP 82 CO 0.27 0.10 0.00 0.00 0.21 0.00 0.00 175.17 175.75 1nku n ALA 83 N 3.89 0.00 -0.01 5.23 0.00 -1.24 -4.37 120.51 124.01 1nku n ALA 83 Ca -0.14 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.53 1nku n ALA 83 Cb 0.52 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.68 1nku n ALA 83 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nku h GLY 84 N 0.00 0.00 0.00 0.00 0.00 -1.92 -3.40 103.07 97.75 1nku h GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nku h GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1nku n ILE 85 N -3.84 0.00 -2.96 2.60 -5.35 -1.26 -4.89 119.36 103.65 1nku n ILE 85 Ca 0.12 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.23 1nku n ILE 85 Cb 0.79 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.63 1nku n ILE 85 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1nku s ILE 86 N 0.00 4.40 -0.33 7.28 1.01 -1.26 -5.04 121.20 127.27 1nku s ILE 86 Ca 0.00 1.55 -0.10 0.00 0.00 0.00 0.00 60.65 62.10 1nku s ILE 86 Cb 0.00 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 1nku s ILE 86 CO 0.00 0.23 0.17 -0.13 0.00 0.00 0.00 174.94 175.21 1nku s ARG 87 N -1.88 3.24 -0.30 2.79 0.52 -1.26 -4.99 118.95 117.07 1nku s ARG 87 Ca 0.45 -0.79 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 1nku s ARG 87 Cb -0.18 -3.61 0.18 0.00 0.52 0.00 0.00 34.95 31.86 1nku s ARG 87 CO 0.23 -0.48 1.16 -1.58 0.02 0.00 0.00 175.30 174.65 1nku s HIS 88 N 1.61 -0.15 0.50 -0.53 2.46 -1.26 -5.01 115.29 112.90 1nku s HIS 88 Ca 0.04 0.10 0.25 0.00 0.47 0.00 0.00 55.06 55.92 1nku s HIS 88 Cb -0.17 0.03 1.33 0.00 -0.13 0.00 0.00 32.58 33.64 1nku s HIS 88 CO 0.06 -0.09 1.91 0.07 -2.47 0.00 0.00 174.74 174.23 1nku h ARG 89 N 7.22 0.12 -0.19 2.88 0.11 -1.94 -0.33 114.38 122.26 1nku h ARG 89 Ca -0.11 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 1nku h ARG 89 Cb 1.17 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 1nku h ARG 89 CO -0.16 0.08 0.08 0.78 0.10 0.00 0.00 179.97 180.85 1nku h GLY 90 N 0.13 0.31 1.00 0.08 0.00 -2.00 -0.96 103.07 101.63 1nku h GLY 90 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1nku h GLY 90 CO -0.05 0.16 0.37 0.50 0.00 0.00 0.00 176.54 177.51 1nku h LYS 91 N 0.17 0.86 -0.67 4.80 1.57 -1.47 -2.09 116.57 119.73 1nku h LYS 91 Ca 0.07 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1nku h LYS 91 Cb 0.16 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1nku h LYS 91 CO -0.01 0.63 0.32 0.82 -0.57 0.00 0.00 179.45 180.65 1nku h ILE 92 N 0.86 1.22 -0.95 1.86 2.04 -1.23 -1.72 117.51 119.58 1nku h ILE 92 Ca 0.22 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.56 1nku h ILE 92 Cb 0.00 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1nku h ILE 92 CO -0.04 0.26 0.61 -0.61 0.00 0.00 0.00 178.15 178.37 1nku h GLN 93 N 0.95 0.96 -0.52 2.37 4.15 -0.48 0.02 115.11 122.56 1nku h GLN 93 Ca 0.23 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.53 1nku h GLN 93 Cb 0.10 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1nku h GLN 93 CO -0.03 0.63 0.03 0.00 -1.93 0.00 0.00 178.83 177.54 1nku h ALA 94 N 1.53 1.09 -0.38 3.38 0.00 -1.08 -2.81 119.26 120.98 1nku h ALA 94 Ca 0.44 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1nku h ALA 94 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1nku h ALA 94 CO -0.20 0.58 0.19 0.82 0.00 0.00 0.00 179.25 180.65 1nku h ILE 95 N 0.80 0.98 -0.81 0.00 2.04 -0.77 -1.26 117.51 118.48 1nku h ILE 95 Ca 0.16 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1nku h ILE 95 Cb 0.43 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1nku h ILE 95 CO 0.02 0.07 0.51 0.40 0.00 0.00 0.00 178.15 179.15 1nku h ILE 96 N 0.39 1.10 -0.36 -0.67 2.04 -1.24 -1.04 117.51 117.73 1nku h ILE 96 Ca 0.16 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1nku h ILE 96 Cb 0.07 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1nku h ILE 96 CO -0.11 0.18 0.11 1.23 0.00 0.00 0.00 178.15 179.55 1nku h GLY 97 N 0.98 0.56 1.01 5.37 0.00 -1.10 -2.43 103.07 107.46 1nku h GLY 97 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1nku h GLY 97 CO -0.13 0.26 0.48 -0.57 0.00 0.00 0.00 176.54 176.58 1nku h ASN 98 N 0.52 0.87 -0.26 0.19 -0.73 -0.07 0.82 115.58 116.93 1nku h ASN 98 Ca 0.12 -0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.20 1nku h ASN 98 Cb 0.17 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 1nku h ASN 98 CO -0.01 0.65 -0.03 0.00 -0.37 0.00 0.00 177.43 177.67 1nku h ALA 99 N 1.26 0.35 -0.68 1.57 0.00 -1.27 0.46 119.26 120.95 1nku h ALA 99 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 99 Cb -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1nku h ALA 99 CO -0.06 0.12 0.44 -0.09 0.00 0.00 0.00 179.25 179.67 1nku h ARG 100 N 0.24 0.90 -0.12 0.00 2.43 -1.13 -1.15 114.38 115.55 1nku h ARG 100 Ca 0.07 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1nku h ARG 100 Cb 0.48 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1nku h ARG 100 CO 0.02 0.60 -0.45 0.00 -1.51 0.00 0.00 179.97 178.63 1nku h ALA 101 N 1.24 1.00 -0.68 2.80 0.00 -0.66 -2.82 119.26 120.14 1nku h ALA 101 Ca 0.25 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nku h ALA 101 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1nku h ALA 101 CO -0.05 0.63 0.44 -0.92 0.00 0.00 0.00 179.25 179.35 1nku h TYR 102 N 0.25 0.82 -0.41 0.00 3.20 0.11 -1.93 116.97 119.01 1nku h TYR 102 Ca 0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1nku h TYR 102 Cb 0.90 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1nku h TYR 102 CO 0.02 0.49 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.83 1nku h LEU 103 N 0.87 0.73 -0.50 2.82 3.38 -1.11 -1.26 115.31 120.25 1nku h LEU 103 Ca 0.26 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1nku h LEU 103 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1nku h LEU 103 CO -0.08 0.88 0.30 -0.61 0.09 0.00 0.00 178.44 179.03 1nku h GLN 104 N 0.67 0.59 -0.21 1.13 5.75 -1.12 1.05 115.11 122.96 1nku h GLN 104 Ca 0.11 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1nku h GLN 104 Cb 0.61 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 1nku h GLN 104 CO 0.04 0.39 -0.22 1.98 -2.65 0.00 0.00 178.83 178.37 1nku h MET 105 N 0.61 0.53 0.00 1.69 4.05 -1.27 -2.90 114.93 117.64 1nku h MET 105 Ca 0.20 -0.28 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 1nku h MET 105 Cb -0.00 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1nku h MET 105 CO -0.08 0.86 -0.23 1.49 0.23 0.00 0.00 176.91 179.18 1nku h GLU 106 N 0.21 0.00 -0.87 0.39 4.81 -0.85 -2.53 114.58 115.74 1nku h GLU 106 Ca 0.03 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.45 1nku h GLU 106 Cb 0.77 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 1nku h GLU 106 CO 0.05 0.23 0.58 0.37 -0.73 0.00 0.00 179.01 179.51 1nku h GLN 107 N 0.00 0.43 -0.02 1.92 4.15 0.14 1.20 115.11 122.92 1nku h GLN 107 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1nku h GLN 107 Cb 0.47 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1nku h GLN 107 CO 0.03 0.28 0.00 0.09 -1.93 0.00 0.00 178.83 177.30 1nku n ASN 108 N -4.51 0.99 -1.42 -0.69 5.03 -0.96 -4.90 115.26 108.81 1nku n ASN 108 Ca 0.18 -1.36 -0.10 0.00 0.87 0.00 0.00 54.58 54.17 1nku n ASN 108 Cb 0.64 -0.01 0.01 0.00 -1.02 0.00 0.00 39.78 39.40 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nku n GLY 109 N 1.10 0.10 2.84 7.41 0.00 0.41 -4.99 105.19 112.07 1nku n GLY 109 Ca 0.20 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1nku n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nku s GLU 110 N -4.94 1.97 0.51 1.61 0.41 -1.21 -5.04 118.70 112.02 1nku s GLU 110 Ca 0.11 -2.78 -0.23 0.00 -0.41 0.00 0.00 54.97 51.66 1nku s GLU 110 Cb -0.05 -3.03 -0.07 0.00 -1.78 0.00 0.00 34.13 29.20 1nku s GLU 110 CO 0.14 -1.22 1.28 -2.30 -0.49 0.00 0.00 175.26 172.66 1nku n PRO 111 N 2.67 1.69 -0.35 0.39 -0.02 -1.26 -4.53 135.00 133.59 1nku n PRO 111 Ca 0.14 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1nku n PRO 111 Cb 0.35 -2.45 0.17 0.00 -0.02 0.00 0.00 33.50 31.55 1nku n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nku h PHE 112 N 1.57 1.14 -0.26 6.00 -1.00 -1.95 0.32 116.94 122.75 1nku h PHE 112 Ca -0.49 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.33 1nku h PHE 112 Cb 1.31 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.48 1nku h PHE 112 CO 0.45 0.58 0.14 0.00 -1.61 0.00 0.00 178.31 177.87 1nku h ALA 113 N 1.45 0.32 -0.29 2.45 0.00 -1.90 0.86 119.26 122.15 1nku h ALA 113 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1nku h ALA 113 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nku h ALA 113 CO -0.18 -0.25 -0.26 0.22 0.00 0.00 0.00 179.25 178.78 1nku h ASP 114 N 0.29 0.73 -0.47 0.00 3.58 -1.72 -2.72 116.42 116.10 1nku h ASP 114 Ca 0.11 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 1nku h ASP 114 Cb 0.02 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 1nku h ASP 114 CO -0.06 1.04 0.21 0.15 -2.88 0.00 0.00 179.24 177.70 1nku h PHE 115 N 0.43 0.70 -0.44 0.28 3.57 -0.02 -2.83 116.94 118.63 1nku h PHE 115 Ca 0.05 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1nku h PHE 115 Cb 0.82 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1nku h PHE 115 CO 0.07 0.57 0.28 0.28 -2.23 0.00 0.00 178.31 177.28 1nku h VAL 116 N 0.62 1.09 -0.93 1.41 2.07 0.77 -2.00 116.25 119.29 1nku h VAL 116 Ca 0.16 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1nku h VAL 116 Cb 0.15 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1nku h VAL 116 CO -0.02 0.10 0.60 -0.50 0.02 0.00 0.00 177.57 177.77 1nku h TRP 117 N 0.57 1.03 -0.69 1.57 4.06 -1.30 -0.73 115.95 120.46 1nku h TRP 117 Ca 0.17 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.14 1nku h TRP 117 Cb -0.04 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 27.75 1nku h TRP 117 CO -0.05 0.49 0.43 0.77 -3.56 0.00 0.00 178.44 176.51 1nku h SER 118 N 0.97 0.82 0.12 -3.49 0.02 -1.13 0.88 113.55 111.74 1nku h SER 118 Ca 0.42 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1nku h SER 118 Cb 0.35 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1nku h SER 118 CO -0.18 0.62 -0.11 -0.26 -1.14 0.00 0.00 176.83 175.76 1nku h PHE 119 N 0.95 0.00 -0.58 3.45 -1.00 -0.89 -1.35 116.94 117.52 1nku h PHE 119 Ca 0.25 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.92 1nku h PHE 119 Cb -0.06 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.43 1nku h PHE 119 CO 0.00 0.11 0.12 1.33 -1.61 0.00 0.00 178.31 178.26 1nku n VAL 120 N -4.34 2.75 -2.62 -0.55 0.24 -0.64 -4.89 118.33 108.28 1nku n VAL 120 Ca -0.03 -1.69 -0.20 0.00 -2.04 0.00 0.00 64.34 60.39 1nku n VAL 120 Cb 0.18 -0.31 0.01 0.00 -1.47 0.00 0.00 33.84 32.25 1nku n VAL 120 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nku n ASN 121 N -0.05 -5.66 -0.25 -1.34 5.15 -0.51 -1.48 115.26 111.12 1nku n ASN 121 Ca 0.33 -0.12 -0.02 0.00 -0.60 0.00 0.00 54.58 54.16 1nku n ASN 121 Cb 1.22 -4.60 -0.01 0.00 -0.53 0.00 0.00 39.78 35.86 1nku n ASN 121 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1nku n HIS 122 N -4.19 -0.07 -4.52 1.20 8.25 0.30 -4.89 115.22 111.29 1nku n HIS 122 Ca -0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.95 1nku n HIS 122 Cb 0.65 -1.60 -0.12 0.00 1.12 0.00 0.00 29.99 30.04 1nku n HIS 122 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1nku s GLN 123 N -1.54 3.27 0.54 -0.41 -0.21 -0.55 -5.05 119.66 115.71 1nku s GLN 123 Ca 0.00 -0.54 -0.19 0.00 0.02 0.00 0.00 55.36 54.65 1nku s GLN 123 Cb 0.00 -2.76 -0.06 0.00 1.00 0.00 0.00 33.01 31.19 1nku s GLN 123 CO 0.00 0.43 1.10 -1.25 -2.12 0.00 0.00 175.29 173.45 1nku s PRO 124 N -0.15 3.44 0.07 2.91 0.04 -1.26 -4.85 135.00 135.19 1nku s PRO 124 Ca 0.02 1.51 0.06 0.00 0.04 0.00 0.00 61.00 62.63 1nku s PRO 124 Cb -0.13 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1nku s PRO 124 CO 0.03 -0.76 -0.09 -0.65 0.04 0.00 0.00 177.00 175.56 1nku s GLN 125 N -3.36 2.25 0.06 4.56 -0.21 -1.07 -5.06 119.66 116.84 1nku s GLN 125 Ca 0.70 -0.93 0.07 0.00 0.02 0.00 0.00 55.36 55.22 1nku s GLN 125 Cb -0.21 -2.35 -0.03 0.00 1.00 0.00 0.00 33.01 31.41 1nku s GLN 125 CO 0.26 0.54 -0.20 1.41 -2.12 0.00 0.00 175.29 175.18 1nku s MET 126 N -1.93 1.22 0.07 2.91 1.75 -1.26 -1.40 119.30 120.66 1nku s MET 126 Ca 0.20 -0.99 0.05 0.00 -1.25 0.00 0.00 55.69 53.70 1nku s MET 126 Cb -0.11 -1.37 -0.03 0.00 2.84 0.00 0.00 34.83 36.16 1nku s MET 126 CO 0.12 0.34 -0.14 -0.08 -0.65 0.00 0.00 175.02 174.61 1nku s THR 127 N -0.94 1.08 -0.41 10.11 -1.32 -0.98 -4.88 115.64 118.29 1nku s THR 127 Ca 0.06 -1.31 0.11 0.00 -1.21 0.00 0.00 61.69 59.34 1nku s THR 127 Cb -0.09 -1.06 0.40 0.00 -1.51 0.00 0.00 72.50 70.25 1nku s THR 127 CO 0.03 -0.24 0.95 0.00 -2.21 0.00 0.00 174.62 173.14 1nku n GLN 128 N 1.26 2.18 -2.00 7.08 10.64 -1.26 -4.76 117.38 130.53 1nku n GLN 128 Ca -0.21 -3.95 -0.42 0.00 -1.83 0.00 0.00 57.00 50.59 1nku n GLN 128 Cb 0.54 -1.82 -0.03 0.00 -0.86 0.00 0.00 30.24 28.07 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1nku s ALA 129 N -3.17 3.73 0.24 2.61 0.00 -1.26 -4.78 121.76 119.13 1nku s ALA 129 Ca 0.40 1.31 -0.05 0.00 0.00 0.00 0.00 51.96 53.62 1nku s ALA 129 Cb 0.39 -3.60 0.26 0.00 0.00 0.00 0.00 23.12 20.17 1nku s ALA 129 CO -0.09 -0.73 1.78 1.15 0.00 0.00 0.00 175.76 177.87 1nku h THR 130 N 4.07 1.25 -3.78 0.00 2.02 -1.93 -3.27 112.91 111.26 1nku h THR 130 Ca -0.43 -0.87 -0.40 0.00 0.77 0.00 0.00 66.41 65.49 1nku h THR 130 Cb 1.21 0.55 -0.14 0.00 -1.74 0.00 0.00 68.15 68.02 1nku h THR 130 CO 0.90 0.33 -0.58 0.28 0.37 0.00 0.00 175.52 176.82 1nku s THR 131 N -5.31 0.45 0.37 3.16 -1.32 -1.26 -4.62 115.64 107.11 1nku s THR 131 Ca -0.11 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.41 1nku s THR 131 Cb 0.15 -2.56 0.27 0.00 -1.51 0.00 0.00 72.50 68.85 1nku s THR 131 CO 0.82 0.00 2.02 -0.07 -2.21 0.00 0.00 174.62 175.19 1nku h LEU 132 N 2.25 0.63 -1.17 9.08 3.38 -1.87 -2.03 115.31 125.58 1nku h LEU 132 Ca -0.36 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1nku h LEU 132 Cb 1.25 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1nku h LEU 132 CO 0.56 0.45 0.55 0.28 0.09 0.00 0.00 178.44 180.37 1nku h SER 133 N 0.74 0.96 0.54 -0.43 0.02 -1.98 -1.16 113.55 112.26 1nku h SER 133 Ca 0.21 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1nku h SER 133 Cb -0.05 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 1nku h SER 133 CO -0.05 0.70 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.99 1nku h GLU 134 N 1.14 0.00 -6.27 3.45 5.08 -1.74 -3.42 114.58 112.82 1nku h GLU 134 Ca 0.31 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.12 1nku h GLU 134 Cb -0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1nku h GLU 134 CO -0.07 0.03 1.12 0.42 -1.00 0.00 0.00 179.01 179.51 1nku s ILE 135 N -3.93 3.53 0.23 3.13 -1.09 -0.44 -4.89 121.20 117.73 1nku s ILE 135 Ca -0.02 0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.73 1nku s ILE 135 Cb 0.11 -3.43 -0.09 0.00 -1.58 0.00 0.00 42.46 37.48 1nku s ILE 135 CO 0.51 -0.08 1.02 -2.16 -1.23 0.00 0.00 174.94 172.99 1nku s PRO 136 N 4.22 4.73 0.00 2.79 0.04 -1.26 -4.94 135.00 140.57 1nku s PRO 136 Ca 0.75 1.62 0.20 0.00 0.04 0.00 0.00 61.00 63.61 1nku s PRO 136 Cb -0.33 -3.26 0.18 0.00 0.04 0.00 0.00 34.50 31.12 1nku s PRO 136 CO 0.31 0.31 1.14 -2.37 0.04 0.00 0.00 177.00 176.43 1nku n THR 137 N 1.70 0.05 -3.68 1.26 5.66 -1.26 -4.76 114.28 113.25 1nku n THR 137 Ca -0.00 -0.53 -0.30 0.00 -3.05 0.00 0.00 64.05 60.17 1nku n THR 137 Cb 0.46 1.36 -0.14 0.00 -1.55 0.00 0.00 70.33 70.46 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1nku s SER 138 N -1.60 3.73 0.12 1.09 0.15 -1.26 -4.84 113.70 111.09 1nku s SER 138 Ca 0.24 -2.08 0.04 0.00 0.70 0.00 0.00 55.95 54.85 1nku s SER 138 Cb 0.17 -0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 63.58 1nku s SER 138 CO 0.25 -0.35 0.10 0.42 1.20 0.00 0.00 173.24 174.86 1nku s THR 139 N 1.08 4.51 0.33 6.45 -4.23 -1.26 -4.99 115.64 117.53 1nku s THR 139 Ca 0.14 -0.90 0.11 0.00 -1.18 0.00 0.00 61.69 59.86 1nku s THR 139 Cb -0.21 -3.23 0.32 0.00 1.34 0.00 0.00 72.50 70.73 1nku s THR 139 CO -0.12 0.02 1.73 -0.65 -0.54 0.00 0.00 174.62 175.06 1nku h PRO 140 N 2.91 0.52 -0.22 3.99 0.11 -2.00 0.13 132.00 137.45 1nku h PRO 140 Ca -0.47 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 1nku h PRO 140 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nku h PRO 140 CO 0.65 0.34 -0.60 0.00 -0.21 0.00 0.00 178.00 178.18 1nku h ALA 141 N 1.73 0.53 -0.74 -0.75 0.00 -1.94 -3.04 119.26 115.06 1nku h ALA 141 Ca 0.65 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1nku h ALA 141 Cb 1.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1nku h ALA 141 CO -0.47 0.69 0.35 0.66 0.00 0.00 0.00 179.25 180.48 1nku h SER 142 N 0.54 0.96 -0.27 0.00 4.64 -1.15 0.29 113.55 118.54 1nku h SER 142 Ca -0.00 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1nku h SER 142 Cb 1.18 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1nku h SER 142 CO 0.12 0.81 0.09 0.44 -0.87 0.00 0.00 176.83 177.42 1nku h ASP 143 N 1.05 0.40 0.45 4.97 3.32 -1.31 -2.46 116.42 122.84 1nku h ASP 143 Ca 0.25 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1nku h ASP 143 Cb 0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1nku h ASP 143 CO -0.03 0.50 -0.49 0.00 -1.72 0.00 0.00 179.24 177.49 1nku h ALA 144 N 0.92 1.15 -0.13 3.45 0.00 -1.37 -2.91 119.26 120.37 1nku h ALA 144 Ca 0.09 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1nku h ALA 144 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1nku h ALA 144 CO -0.00 0.62 0.03 1.25 0.00 0.00 0.00 179.25 181.15 1nku h LEU 145 N 0.04 0.03 -1.10 0.00 7.12 0.00 -0.98 115.31 120.42 1nku h LEU 145 Ca -0.00 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.97 1nku h LEU 145 Cb 0.89 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 1nku h LEU 145 CO 0.07 0.04 0.00 0.77 -0.13 0.00 0.00 178.44 179.19 1nku h SER 146 N 0.09 0.60 -0.54 1.25 4.64 -1.37 -2.33 113.55 115.89 1nku h SER 146 Ca 0.06 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1nku h SER 146 Cb 0.04 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1nku h SER 146 CO -0.07 0.67 0.21 0.50 -0.87 0.00 0.00 176.83 177.28 1nku h LYS 147 N 0.61 0.86 0.16 4.77 3.64 -1.17 0.11 116.57 125.55 1nku h LYS 147 Ca 0.13 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1nku h LYS 147 Cb 0.38 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1nku h LYS 147 CO 0.01 0.72 -0.08 0.00 -2.27 0.00 0.00 179.45 177.84 1nku h ALA 148 N 1.39 -0.22 -0.25 5.00 0.00 -0.65 -1.87 119.26 122.66 1nku h ALA 148 Ca 0.20 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 148 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1nku h ALA 148 CO -0.01 -0.48 -0.21 -0.07 0.00 0.00 0.00 179.25 178.47 1nku h LEU 149 N -0.51 0.46 -0.90 0.00 4.07 -1.41 -2.60 115.31 114.42 1nku h LEU 149 Ca -0.02 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 57.82 1nku h LEU 149 Cb 0.39 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 1nku h LEU 149 CO 0.04 0.68 0.59 0.50 -1.08 0.00 0.00 178.44 179.17 1nku h LYS 150 N 0.42 1.12 -0.83 1.13 3.64 -0.64 -1.19 116.57 120.23 1nku h LYS 150 Ca 0.07 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nku h LYS 150 Cb 0.61 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1nku h LYS 150 CO 0.04 0.74 0.49 -0.22 -2.27 0.00 0.00 179.45 178.23 1nku h LYS 151 N 1.16 1.13 0.00 1.90 3.64 -0.95 0.15 116.57 123.60 1nku h LYS 151 Ca 0.35 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1nku h LYS 151 Cb -0.04 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 1nku h LYS 151 CO -0.11 0.80 0.00 0.00 -2.27 0.00 0.00 179.45 177.88 1nku h ARG 152 N 1.15 0.00 0.00 1.90 2.47 -1.10 -3.45 114.38 115.34 1nku h ARG 152 Ca 0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1nku h ARG 152 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1nku h ARG 152 CO -0.05 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.89 1nku n GLY 153 N -0.63 1.00 3.77 0.04 0.00 0.04 -4.90 105.19 104.51 1nku n GLY 153 Ca -0.02 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1nku n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nku s PHE 154 N -2.00 2.83 0.27 1.61 0.40 -0.97 -5.01 117.98 115.11 1nku s PHE 154 Ca 0.00 1.47 0.06 0.00 -0.60 0.00 0.00 56.93 57.86 1nku s PHE 154 Cb 0.00 -3.56 -0.03 0.00 0.51 0.00 0.00 43.02 39.94 1nku s PHE 154 CO 0.00 -1.87 0.31 0.15 0.70 0.00 0.00 175.22 174.51 1nku s LYS 155 N -2.42 3.13 -1.20 0.44 1.02 -1.26 -4.59 119.74 114.86 1nku s LYS 155 Ca 0.60 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 1nku s LYS 155 Cb -0.35 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 1nku s LYS 155 CO 0.43 0.32 0.87 1.19 -0.92 0.00 0.00 175.35 177.25 1nku n PHE 156 N -1.36 -2.14 -1.26 3.18 3.72 -1.26 -4.91 117.46 113.43 1nku n PHE 156 Ca -0.06 0.86 0.06 0.00 -0.05 0.00 0.00 57.45 58.25 1nku n PHE 156 Cb 0.58 -4.55 0.19 0.00 -0.94 0.00 0.00 39.48 34.76 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1nku n VAL 157 N -3.99 2.18 -0.96 -4.37 0.24 -1.26 -4.60 118.33 105.57 1nku n VAL 157 Ca -0.23 -2.53 -0.35 0.00 -2.04 0.00 0.00 64.34 59.19 1nku n VAL 157 Cb 0.66 -0.26 0.06 0.00 -1.47 0.00 0.00 33.84 32.83 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nku n GLY 158 N -1.12 -3.72 0.38 7.63 0.00 -1.26 -4.38 105.19 102.72 1nku n GLY 158 Ca 0.21 -0.74 0.20 0.00 0.00 0.00 0.00 46.02 45.69 1nku n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku h THR 159 N -1.10 0.73 -0.50 2.61 1.03 -1.97 0.12 112.91 113.83 1nku h THR 159 Ca -0.44 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 65.87 1nku h THR 159 Cb 1.30 0.74 -0.02 0.00 -1.07 0.00 0.00 68.15 69.10 1nku h THR 159 CO 0.28 0.00 -0.07 0.71 -0.01 0.00 0.00 175.52 176.43 1nku h THR 160 N 0.00 1.26 -0.17 0.00 1.35 -1.88 -0.99 112.91 112.48 1nku h THR 160 Ca 0.24 -1.16 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 1nku h THR 160 Cb 0.98 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1nku h THR 160 CO -0.00 0.41 -0.03 0.40 -0.25 0.00 0.00 175.52 176.05 1nku h ILE 161 N 0.81 1.28 -0.96 6.82 5.03 -1.04 -1.83 117.51 127.61 1nku h ILE 161 Ca 0.14 -0.95 0.01 0.00 -0.12 0.00 0.00 64.86 63.93 1nku h ILE 161 Cb 0.58 1.57 -0.05 0.00 -3.03 0.00 0.00 36.82 35.89 1nku h ILE 161 CO 0.04 0.28 0.63 0.00 -0.68 0.00 0.00 178.15 178.42 1nku h TYR 163 N 1.31 1.00 -0.42 0.00 3.20 -1.01 -1.74 116.97 119.31 1nku h TYR 163 Ca 0.35 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 1nku h TYR 163 Cb -0.14 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.81 1nku h TYR 163 CO -0.00 0.77 0.11 0.66 -1.64 0.00 0.00 178.16 178.05 1nku h SER 164 N 0.95 0.57 -0.45 -2.11 4.64 -0.59 -1.45 113.55 115.10 1nku h SER 164 Ca 0.23 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1nku h SER 164 Cb 0.17 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1nku h SER 164 CO -0.02 0.57 0.20 0.15 -0.87 0.00 0.00 176.83 176.86 1nku h PHE 165 N 0.61 0.67 -0.53 4.77 3.57 -0.41 -1.54 116.94 124.07 1nku h PHE 165 Ca 0.14 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1nku h PHE 165 Cb 0.22 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1nku h PHE 165 CO 0.01 0.55 0.01 0.52 -2.23 0.00 0.00 178.31 177.17 1nku h MET 166 N 0.59 0.90 -0.25 1.11 2.86 -0.75 0.22 114.93 119.62 1nku h MET 166 Ca 0.15 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1nku h MET 166 Cb 0.15 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1nku h MET 166 CO -0.02 0.89 0.12 0.37 1.06 0.00 0.00 176.91 179.33 1nku h GLN 167 N 0.84 0.36 -0.40 1.72 5.75 -0.91 0.11 115.11 122.58 1nku h GLN 167 Ca 0.16 -0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.45 1nku h GLN 167 Cb 0.48 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1nku h GLN 167 CO 0.02 0.36 -0.37 0.00 -2.65 0.00 0.00 178.83 176.20 1nku h ALA 168 N 0.98 0.58 -0.53 3.38 0.00 -1.12 -3.05 119.26 119.50 1nku h ALA 168 Ca 0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1nku h ALA 168 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1nku h ALA 168 CO -0.01 0.68 -0.00 0.00 0.00 0.00 0.00 179.25 179.92 1nku n GLY 170 N -0.56 0.78 0.35 0.00 0.00 0.38 -0.29 105.19 105.85 1nku n GLY 170 Ca 0.03 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1nku n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nku h LEU 171 N 0.00 0.19 -8.78 0.99 3.38 -1.80 -3.31 115.31 105.98 1nku h LEU 171 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1nku h LEU 171 Cb 0.00 -0.04 -0.25 0.00 0.09 0.00 0.00 40.66 40.46 1nku h LEU 171 CO 0.00 0.12 -0.78 0.68 0.09 0.00 0.00 178.44 178.54 1nku s VAL 172 N -5.22 2.95 -0.48 1.22 -7.23 -1.26 -2.60 120.40 107.78 1nku s VAL 172 Ca -0.06 -0.74 -0.27 0.00 -1.81 0.00 0.00 61.98 59.10 1nku s VAL 172 Cb 0.19 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.99 1nku s VAL 172 CO 0.73 0.57 1.01 0.20 -0.31 0.00 0.00 175.10 177.30 1nku s ASN 173 N -0.37 6.53 0.37 4.85 0.01 -0.49 -4.92 114.94 120.92 1nku s ASN 173 Ca 0.04 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1nku s ASN 173 Cb -0.12 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1nku s ASN 173 CO 0.02 -1.15 0.01 0.47 -1.51 0.00 0.00 177.10 174.94 1nku n ASP 174 N 7.47 2.99 0.00 -1.22 8.00 -1.26 -2.32 116.55 130.21 1nku n ASP 174 Ca 0.08 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1nku n ASP 174 Cb 0.49 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1nku n ASP 174 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1nku n HIS 175 N -0.93 0.00 -3.91 1.24 8.25 -1.26 -4.99 115.22 113.63 1nku n HIS 175 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 1nku n HIS 175 Cb 0.46 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 1nku n HIS 175 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nku s VAL 176 N 0.00 0.13 0.38 1.59 1.01 -1.26 -4.75 120.40 117.50 1nku s VAL 176 Ca 0.00 -1.06 0.13 0.00 0.00 0.00 0.00 61.98 61.06 1nku s VAL 176 Cb 0.00 -0.92 0.35 0.00 0.00 0.00 0.00 36.38 35.81 1nku s VAL 176 CO 0.00 -0.58 1.85 0.58 0.00 0.00 0.00 175.10 176.95 1nku h VAL 177 N 3.57 0.73 -0.51 2.92 2.07 -1.81 -1.22 116.25 122.00 1nku h VAL 177 Ca -0.32 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1nku h VAL 177 Cb 1.19 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1nku h VAL 177 CO 0.50 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1nku n GLY 178 N -1.47 3.05 2.72 2.17 0.00 -1.26 -4.17 105.19 106.24 1nku n GLY 178 Ca 0.19 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku s TYR 182 N -4.45 3.25 0.00 0.00 6.14 0.65 -5.02 117.35 117.92 1nku s TYR 182 Ca -0.03 -0.84 0.00 0.00 0.64 0.00 0.00 57.07 56.84 1nku s TYR 182 Cb 0.14 -2.75 0.00 0.00 0.42 0.00 0.00 41.96 39.77 1nku s TYR 182 CO 0.47 -0.68 0.00 -0.35 0.64 0.00 0.00 175.55 175.63 1nku n PRO 183 N 5.12 0.00 0.00 4.97 -0.04 -1.23 -3.65 135.00 140.17 1nku n PRO 183 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1nku n PRO 183 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1nku n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nku n GLY 184 N 4.23 1.83 0.32 0.55 0.00 -1.26 -4.54 105.19 106.33 1nku n GLY 184 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1nku n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nku n ASN 185 N 0.00 0.96 -3.76 1.61 2.85 -1.26 -4.35 115.26 111.31 1nku n ASN 185 Ca 0.00 -1.78 -0.28 0.00 -0.11 0.00 0.00 54.58 52.41 1nku n ASN 185 Cb 0.00 -0.09 -0.12 0.00 1.24 0.00 0.00 39.78 40.81 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1nku s LYS 186 N -1.82 1.94 0.00 1.20 1.02 -1.26 -5.24 119.74 115.58 1nku s LYS 186 Ca 0.22 -2.88 0.00 0.00 0.02 0.00 0.00 55.97 53.33 1nku s LYS 186 Cb 0.11 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1nku s LYS 186 CO 0.17 -1.29 0.24 -2.30 -0.92 0.00 0.00 175.35 171.25