#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 4.43 0.11 3.17 -1.05 -1.26 -5.05 118.70 119.05 1nku s GLU 2 Ca 0.00 1.54 0.04 0.00 -0.15 0.00 0.00 54.97 56.40 1nku s GLU 2 Cb 0.00 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 30.84 1nku s GLU 2 CO 0.00 0.09 -0.10 0.50 0.95 0.00 0.00 175.26 176.70 1nku s ARG 3 N -2.04 0.90 -0.12 -4.83 3.52 -1.26 -4.71 118.95 110.41 1nku s ARG 3 Ca 0.51 -1.25 -0.32 0.00 -0.13 0.00 0.00 55.73 54.54 1nku s ARG 3 Cb -0.24 -0.53 -0.15 0.00 -1.56 0.00 0.00 34.95 32.47 1nku s ARG 3 CO 0.30 0.07 0.95 0.00 -0.81 0.00 0.00 175.30 175.81 1nku h GLY 5 N 2.78 0.07 -0.43 0.00 0.00 -1.98 -2.42 103.07 101.10 1nku h GLY 5 Ca -0.37 -0.04 0.35 0.00 0.00 0.00 0.00 47.33 47.27 1nku h GLY 5 CO 0.58 0.04 0.87 1.49 0.00 0.00 0.00 176.54 179.51 1nku h TRP 6 N 0.06 0.04 -3.23 5.60 4.06 -1.91 -3.40 115.95 117.18 1nku h TRP 6 Ca 0.01 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.40 1nku h TRP 6 Cb 0.31 -0.01 0.10 0.00 -1.00 0.00 0.00 29.16 28.56 1nku h TRP 6 CO 0.00 0.00 0.60 0.28 -3.56 0.00 0.00 178.44 175.76 1nku n VAL 7 N -4.20 1.65 -4.11 1.49 0.31 -0.91 -4.99 118.33 107.57 1nku n VAL 7 Ca 0.26 -0.41 -0.06 0.00 -0.01 0.00 0.00 64.34 64.12 1nku n VAL 7 Cb 1.26 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 1nku n VAL 7 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nku n SER 8 N 1.21 0.50 -3.30 4.52 2.88 -1.26 -4.99 113.62 113.17 1nku n SER 8 Ca 0.06 -1.58 -0.26 0.00 -1.33 0.00 0.00 58.87 55.76 1nku n SER 8 Cb 0.35 0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 64.11 1nku n SER 8 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nku n GLN 9 N -0.21 0.54 -3.16 -1.46 7.27 -1.26 -4.46 117.38 114.65 1nku n GLN 9 Ca -0.00 -1.03 -0.01 0.00 0.07 0.00 0.00 57.00 56.03 1nku n GLN 9 Cb 0.16 -2.39 -0.01 0.00 2.41 0.00 0.00 30.24 30.41 1nku n GLN 9 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nku s ASP 10 N 5.47 -1.40 0.58 1.69 1.01 -1.26 -5.01 116.67 117.75 1nku s ASP 10 Ca 0.39 -0.95 0.29 0.00 0.71 0.00 0.00 52.55 52.99 1nku s ASP 10 Cb 0.09 1.89 1.47 0.00 1.01 0.00 0.00 42.92 47.39 1nku s ASP 10 CO 0.14 -0.16 1.91 -0.65 0.21 0.00 0.00 175.17 176.62 1nku h PRO 11 N 6.73 0.00 -0.58 8.23 0.11 -2.02 0.39 132.00 144.85 1nku h PRO 11 Ca 0.05 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1nku h PRO 11 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1nku h PRO 11 CO 0.09 0.00 0.20 1.25 -0.21 0.00 0.00 178.00 179.33 1nku h LEU 12 N 0.00 0.79 -0.45 2.35 5.85 -1.95 -2.64 115.31 119.26 1nku h LEU 12 Ca 0.25 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1nku h LEU 12 Cb 1.23 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1nku h LEU 12 CO -0.00 0.73 0.23 0.22 -0.34 0.00 0.00 178.44 179.28 1nku h TYR 13 N 0.84 0.63 -0.94 1.25 3.20 -1.29 -2.47 116.97 118.19 1nku h TYR 13 Ca 0.19 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.09 1nku h TYR 13 Cb 0.21 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 1nku h TYR 13 CO 0.01 0.49 0.61 0.82 -1.64 0.00 0.00 178.16 178.46 1nku h ILE 14 N 0.59 1.11 -0.73 1.81 2.04 -1.53 0.30 117.51 121.10 1nku h ILE 14 Ca 0.16 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1nku h ILE 14 Cb 0.08 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 1nku h ILE 14 CO -0.02 0.20 0.43 0.00 0.00 0.00 0.00 178.15 178.76 1nku h ALA 15 N 1.48 0.93 -0.45 1.87 0.00 -1.26 -1.34 119.26 120.48 1nku h ALA 15 Ca 0.39 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1nku h ALA 15 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1nku h ALA 15 CO -0.14 0.41 -0.16 -0.92 0.00 0.00 0.00 179.25 178.44 1nku h TYR 16 N 1.00 0.98 -0.10 0.00 3.20 -0.75 0.35 116.97 121.65 1nku h TYR 16 Ca 0.26 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1nku h TYR 16 Cb -0.01 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1nku h TYR 16 CO -0.01 0.97 -0.04 1.25 -1.64 0.00 0.00 178.16 178.69 1nku h HIS 17 N 0.77 -0.09 -0.14 -3.82 2.76 0.37 -1.13 115.15 113.86 1nku h HIS 17 Ca 0.12 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.11 1nku h HIS 17 Cb 0.69 0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.72 1nku h HIS 17 CO 0.04 -0.07 -0.64 -0.44 -1.30 0.00 0.00 177.93 175.53 1nku h ASP 18 N -0.02 0.81 -0.59 3.26 3.32 -1.18 -3.28 116.42 118.73 1nku h ASP 18 Ca 0.05 -0.63 0.04 0.00 0.02 0.00 0.00 57.03 56.52 1nku h ASP 18 Cb 0.11 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1nku h ASP 18 CO -0.12 1.30 0.34 -1.13 -1.72 0.00 0.00 179.24 177.91 1nku h ASN 19 N 0.37 0.52 0.00 6.45 -1.24 -0.76 -3.47 115.58 117.45 1nku h ASN 19 Ca -0.04 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1nku h ASN 19 Cb 1.27 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1nku h ASN 19 CO 0.13 0.36 0.00 -0.62 -1.29 0.00 0.00 177.43 176.01 1nku n GLU 20 N -4.79 0.00 -2.58 6.67 1.02 -0.44 -5.06 120.64 115.46 1nku n GLU 20 Ca 0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1nku n GLU 20 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.52 1nku n GLU 20 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1nku n TRP 21 N 0.00 -3.21 0.00 -0.32 -0.00 -1.25 -4.42 117.44 108.24 1nku n TRP 21 Ca 0.00 1.88 0.00 0.00 -0.00 0.00 0.00 57.50 59.38 1nku n TRP 21 Cb 0.00 -3.01 0.00 0.00 -0.00 0.00 0.00 31.31 28.30 1nku n TRP 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1nku n GLY 22 N 1.96 0.20 3.73 5.87 0.00 -1.18 -4.93 105.19 110.83 1nku n GLY 22 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1nku n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nku s VAL 23 N -2.00 5.23 0.15 1.61 0.11 -1.26 -4.74 120.40 119.49 1nku s VAL 23 Ca 0.00 0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 59.51 1nku s VAL 23 Cb 0.00 -3.73 -0.11 0.00 -1.53 0.00 0.00 36.38 31.01 1nku s VAL 23 CO 0.00 0.37 1.74 -2.16 -3.33 0.00 0.00 175.10 171.72 1nku s PRO 24 N 0.43 4.15 -0.10 1.54 0.04 -1.25 -3.76 135.00 136.04 1nku s PRO 24 Ca 0.22 2.54 0.02 0.00 0.04 0.00 0.00 61.00 63.82 1nku s PRO 24 Cb -0.14 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1nku s PRO 24 CO 0.08 -0.77 -0.15 -1.21 0.04 0.00 0.00 177.00 174.99 1nku s GLU 25 N 1.96 3.07 0.00 4.56 2.02 -0.06 -4.97 118.70 125.29 1nku s GLU 25 Ca 0.77 -0.72 0.13 0.00 0.02 0.00 0.00 54.97 55.17 1nku s GLU 25 Cb -0.46 -2.50 0.22 0.00 0.10 0.00 0.00 34.13 31.48 1nku s GLU 25 CO 0.34 0.33 1.09 0.25 0.02 0.00 0.00 175.26 177.28 1nku n THR 26 N 3.17 0.40 -2.67 3.63 -2.24 -1.26 -4.93 114.28 110.38 1nku n THR 26 Ca -0.18 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.47 1nku n THR 26 Cb 0.53 0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -1.08 6.88 0.44 3.42 1.01 -1.26 -4.86 116.67 121.22 1nku s ASP 27 Ca 0.21 0.97 0.11 0.00 0.71 0.00 0.00 52.55 54.54 1nku s ASP 27 Cb 0.13 -2.53 0.97 0.00 1.01 0.00 0.00 42.92 42.50 1nku s ASP 27 CO 0.18 -0.88 2.05 0.77 0.21 0.00 0.00 175.17 177.50 1nku h SER 28 N 8.17 0.25 -0.82 0.27 4.64 -1.97 -2.07 113.55 122.02 1nku h SER 28 Ca -0.21 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1nku h SER 28 Cb 1.06 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1nku h SER 28 CO 1.03 0.24 0.47 0.11 -0.87 0.00 0.00 176.83 177.81 1nku h LYS 29 N 0.29 1.13 0.14 4.77 1.79 -1.98 0.34 116.57 123.06 1nku h LYS 29 Ca 0.07 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1nku h LYS 29 Cb 0.08 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1nku h LYS 29 CO -0.01 0.82 -0.07 0.87 -1.08 0.00 0.00 179.45 179.98 1nku h LYS 30 N 1.13 -0.19 -0.73 3.15 1.57 -1.79 0.11 116.57 119.83 1nku h LYS 30 Ca 0.29 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1nku h LYS 30 Cb -0.00 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1nku h LYS 30 CO -0.05 0.14 0.25 -0.07 -0.57 0.00 0.00 179.45 179.15 1nku h LEU 31 N -0.53 1.03 0.24 2.94 4.07 -1.37 0.16 115.31 121.85 1nku h LEU 31 Ca -0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 1nku h LEU 31 Cb 0.41 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1nku h LEU 31 CO 0.03 0.94 -0.12 0.15 -1.08 0.00 0.00 178.44 178.37 1nku h PHE 32 N 1.07 -0.30 -0.18 1.13 3.57 -0.27 -2.44 116.94 119.53 1nku h PHE 32 Ca 0.24 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1nku h PHE 32 Cb 0.27 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1nku h PHE 32 CO 0.02 -0.05 -0.24 1.49 -2.23 0.00 0.00 178.31 177.30 1nku h GLU 33 N -0.52 0.33 -0.55 1.11 4.81 -0.86 -2.88 114.58 116.02 1nku h GLU 33 Ca -0.03 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1nku h GLU 33 Cb 0.39 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1nku h GLU 33 CO 0.05 0.56 0.29 1.98 -0.73 0.00 0.00 179.01 181.16 1nku h MET 34 N 0.29 0.77 -0.20 1.92 4.05 -0.55 -0.98 114.93 120.23 1nku h MET 34 Ca 0.05 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1nku h MET 34 Cb 0.60 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1nku h MET 34 CO 0.04 0.61 -0.02 0.82 0.23 0.00 0.00 176.91 178.59 1nku h ILE 35 N 0.74 1.27 -0.22 1.77 1.08 -1.29 0.02 117.51 120.89 1nku h ILE 35 Ca 0.19 -0.95 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1nku h ILE 35 Cb 0.06 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1nku h ILE 35 CO -0.03 0.29 0.10 0.00 -0.69 0.00 0.00 178.15 177.82 1nku h LEU 37 N 0.22 0.81 -1.44 0.00 5.85 -1.18 -3.06 115.31 116.50 1nku h LEU 37 Ca 0.07 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 1nku h LEU 37 Cb 0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1nku h LEU 37 CO -0.01 1.02 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.50 1nku h GLU 38 N 0.60 0.00 -0.94 1.25 4.39 -0.90 -2.96 114.58 116.03 1nku h GLU 38 Ca 0.09 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.00 1nku h GLU 38 Cb 0.70 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.23 1nku h GLU 38 CO 0.05 0.28 0.49 0.78 -1.16 0.00 0.00 179.01 179.45 1nku h GLY 39 N 0.89 1.67 1.97 -3.84 0.00 -1.16 0.57 103.07 103.17 1nku h GLY 39 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1nku h GLY 39 CO 0.04 -0.20 -0.32 1.46 0.00 0.00 0.00 176.54 177.52 1nku h GLN 40 N 0.54 0.03 -0.75 4.80 1.08 -1.67 -2.75 115.11 116.40 1nku h GLN 40 Ca 0.58 -0.01 0.22 0.00 -1.45 0.00 0.00 58.65 57.98 1nku h GLN 40 Cb 1.04 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 1nku h GLN 40 CO -0.47 0.35 0.82 -0.56 -0.95 0.00 0.00 178.83 178.02 1nku h GLN 41 N 0.03 0.00 -6.06 1.46 3.07 0.04 -3.40 115.11 110.25 1nku h GLN 41 Ca 0.00 0.00 -0.80 0.00 0.09 0.00 0.00 58.65 57.94 1nku h GLN 41 Cb 0.58 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.17 1nku h GLN 41 CO 0.04 0.00 0.47 0.00 0.09 0.00 0.00 178.83 179.44 1nku n ALA 42 N -2.32 -1.93 0.00 0.06 0.00 -1.04 0.32 120.51 115.61 1nku n ALA 42 Ca 0.16 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1nku n ALA 42 Cb 1.08 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 2.98 2.46 3.80 0.00 0.00 -1.26 -4.95 105.19 108.21 1nku n GLY 43 Ca 0.25 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1nku n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nku s LEU 44 N 0.00 3.80 0.33 0.99 1.43 0.97 -5.10 118.68 121.10 1nku s LEU 44 Ca 0.00 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.76 1nku s LEU 44 Cb 0.00 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 1nku s LEU 44 CO 0.00 0.05 0.81 -0.55 0.23 0.00 0.00 176.35 176.88 1nku s SER 45 N -3.25 6.93 0.59 2.29 0.15 -1.26 -4.69 113.70 114.46 1nku s SER 45 Ca 0.31 1.46 0.30 0.00 0.70 0.00 0.00 55.95 58.72 1nku s SER 45 Cb -0.10 -2.44 1.76 0.00 -1.71 0.00 0.00 66.02 63.54 1nku s SER 45 CO 0.24 -0.18 2.18 4.11 1.20 0.00 0.00 173.24 180.79 1nku h TRP 46 N 2.51 0.00 -0.89 3.44 0.09 -1.98 -1.74 115.95 117.38 1nku h TRP 46 Ca -0.48 0.00 0.07 0.00 0.09 0.00 0.00 58.89 58.57 1nku h TRP 46 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 30.36 1nku h TRP 46 CO 0.62 0.00 0.55 0.97 0.09 0.00 0.00 178.44 180.67 1nku h ILE 47 N 0.00 1.02 -0.30 0.12 -0.00 -2.00 -0.69 117.51 115.65 1nku h ILE 47 Ca 0.04 -0.34 -0.10 0.00 -0.00 0.00 0.00 64.86 64.47 1nku h ILE 47 Cb 0.24 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 37.00 1nku h ILE 47 CO -0.00 0.18 -0.22 0.74 -0.00 0.00 0.00 178.15 178.85 1nku h THR 48 N 0.98 1.26 -0.63 2.19 2.02 -1.70 -2.93 112.91 114.10 1nku h THR 48 Ca 0.40 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1nku h THR 48 Cb 0.23 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1nku h THR 48 CO -0.19 0.41 0.42 0.58 0.37 0.00 0.00 175.52 177.10 1nku h VAL 49 N 0.51 1.16 -0.30 3.16 2.07 -1.16 -2.75 116.25 118.94 1nku h VAL 49 Ca 0.08 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.36 1nku h VAL 49 Cb 0.66 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1nku h VAL 49 CO 0.05 0.16 -0.09 -0.07 0.02 0.00 0.00 177.57 177.63 1nku h LEU 50 N 0.86 -0.33 -0.43 2.57 3.38 -1.27 1.12 115.31 121.20 1nku h LEU 50 Ca 0.23 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1nku h LEU 50 Cb -0.09 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1nku h LEU 50 CO -0.05 -0.12 0.25 0.11 0.09 0.00 0.00 178.44 178.72 1nku h LYS 51 N -0.03 0.60 -0.10 1.13 1.57 -1.63 -1.56 116.57 116.54 1nku h LYS 51 Ca 0.15 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1nku h LYS 51 Cb 0.25 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1nku h LYS 51 CO -0.32 0.46 -0.16 0.87 -0.57 0.00 0.00 179.45 179.72 1nku h LYS 52 N 0.57 0.16 -0.80 3.15 6.56 -1.06 -2.26 116.57 122.89 1nku h LYS 52 Ca 0.15 -0.04 0.10 0.00 -1.06 0.00 0.00 60.65 59.81 1nku h LYS 52 Cb 0.02 -0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 31.59 1nku h LYS 52 CO -0.03 0.33 0.44 -0.09 -2.06 0.00 0.00 179.45 178.04 1nku h ARG 53 N 0.15 0.71 -0.47 3.15 2.43 0.23 1.14 114.38 121.71 1nku h ARG 53 Ca 0.03 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1nku h ARG 53 Cb 0.38 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1nku h ARG 53 CO 0.02 0.47 0.16 1.49 -1.51 0.00 0.00 179.97 180.60 1nku h GLU 54 N 0.73 0.72 -0.52 0.20 4.81 -1.26 -1.68 114.58 117.58 1nku h GLU 54 Ca 0.39 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1nku h GLU 54 Cb 0.39 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1nku h GLU 54 CO -0.26 0.68 0.06 -0.91 -0.73 0.00 0.00 179.01 177.84 1nku h ASN 55 N 0.62 0.79 -0.60 1.04 -0.26 -0.84 -2.67 115.58 113.66 1nku h ASN 55 Ca 0.15 -0.17 0.02 0.00 -0.56 0.00 0.00 56.30 55.74 1nku h ASN 55 Cb 0.25 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.26 1nku h ASN 55 CO -0.01 0.82 0.38 0.22 -1.06 0.00 0.00 177.43 177.79 1nku h TYR 56 N 0.79 0.72 -0.74 1.19 3.20 0.18 -1.75 116.97 120.56 1nku h TYR 56 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1nku h TYR 56 Cb 0.39 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1nku h TYR 56 CO 0.02 0.43 0.49 0.00 -1.64 0.00 0.00 178.16 177.46 1nku h ARG 57 N 0.76 0.97 -0.79 1.82 3.08 -0.99 0.40 114.38 119.64 1nku h ARG 57 Ca 0.23 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1nku h ARG 57 Cb -0.02 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 1nku h ARG 57 CO -0.08 0.64 0.47 0.00 -1.07 0.00 0.00 179.97 179.93 1nku h ALA 58 N 1.54 1.34 0.00 0.04 0.00 -1.14 0.83 119.26 121.87 1nku h ALA 58 Ca 0.27 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 58 Cb -0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 1nku h ALA 58 CO -0.06 0.56 -1.60 0.00 0.00 0.00 0.00 179.25 178.15 1nku n PHE 60 N -2.74 0.00 -0.29 0.00 3.72 0.13 -4.38 117.46 113.91 1nku n PHE 60 Ca -0.11 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.28 1nku n PHE 60 Cb 0.80 -0.54 0.11 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.92 -0.54 1.38 2.76 0.58 -0.99 115.15 119.26 1nku h HIS 61 Ca -0.28 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.88 1nku h HIS 61 Cb 1.58 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 30.21 1nku h HIS 61 CO 0.00 0.50 0.16 0.37 -1.30 0.00 0.00 177.93 177.66 1nku h GLN 62 N 0.94 0.80 -2.61 5.26 4.15 -1.78 -3.12 115.11 118.76 1nku h GLN 62 Ca 0.33 -0.15 -0.81 0.00 0.77 0.00 0.00 58.65 58.80 1nku h GLN 62 Cb 0.09 -0.13 -0.27 0.00 0.21 0.00 0.00 27.48 27.38 1nku h GLN 62 CO -0.14 0.70 0.98 1.19 -1.93 0.00 0.00 178.83 179.64 1nku n PHE 63 N -4.30 2.50 -0.94 3.99 3.01 -0.38 -5.01 117.46 116.33 1nku n PHE 63 Ca 0.04 -2.57 -0.35 0.00 1.01 0.00 0.00 57.45 55.58 1nku n PHE 63 Cb 0.20 -1.26 0.03 0.00 -0.01 0.00 0.00 39.48 38.45 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nku n ASP 64 N 0.73 -4.55 -0.33 4.37 8.00 -1.18 -3.51 116.55 120.08 1nku n ASP 64 Ca 0.37 0.10 0.27 0.00 0.71 0.00 0.00 54.79 56.25 1nku n ASP 64 Cb 0.30 -0.62 0.52 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.94 0.19 -0.69 -0.24 0.11 -1.92 0.41 132.00 128.91 1nku h PRO 65 Ca -0.39 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 1nku h PRO 65 Cb 1.26 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1nku h PRO 65 CO 0.21 0.13 0.21 0.28 -0.21 0.00 0.00 178.00 178.62 1nku h VAL 66 N 0.20 1.25 -0.15 3.15 2.07 -1.99 -2.54 116.25 118.24 1nku h VAL 66 Ca 0.78 -0.88 -0.21 0.00 0.82 0.00 0.00 66.70 67.21 1nku h VAL 66 Cb 1.92 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1nku h VAL 66 CO -0.66 0.34 -0.75 0.11 0.02 0.00 0.00 177.57 176.64 1nku h LYS 67 N 1.03 0.70 -0.28 1.57 6.56 -0.42 -2.62 116.57 123.12 1nku h LYS 67 Ca 0.23 -0.56 -0.04 0.00 -1.06 0.00 0.00 60.65 59.21 1nku h LYS 67 Cb 0.30 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1nku h LYS 67 CO -0.01 1.18 0.01 -0.39 -2.06 0.00 0.00 179.45 178.18 1nku h VAL 68 N 0.49 1.25 -0.18 0.50 -1.51 -1.22 -0.49 116.25 115.08 1nku h VAL 68 Ca -0.04 -0.90 -0.05 0.00 -1.23 0.00 0.00 66.70 64.48 1nku h VAL 68 Cb 1.36 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1nku h VAL 68 CO 0.15 0.29 -0.12 0.00 -1.23 0.00 0.00 177.57 176.66 1nku h ALA 69 N 0.83 1.47 -0.54 5.19 0.00 -1.54 -0.43 119.26 124.24 1nku h ALA 69 Ca 0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1nku h ALA 69 Cb 0.41 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1nku h ALA 69 CO 0.01 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.80 1nku n ALA 70 N -2.49 3.98 -1.80 0.00 0.00 -0.99 -4.86 120.51 114.36 1nku n ALA 70 Ca -0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 53.44 51.41 1nku n ALA 70 Cb 0.27 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1nku n ALA 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1nku s MET 71 N -2.37 3.85 0.19 0.00 1.75 -0.17 -4.97 119.30 117.58 1nku s MET 71 Ca 0.42 1.33 0.06 0.00 -1.25 0.00 0.00 55.69 56.25 1nku s MET 71 Cb 0.33 -2.10 -0.04 0.00 2.84 0.00 0.00 34.83 35.86 1nku s MET 71 CO 0.11 -0.39 0.11 -0.65 -0.65 0.00 0.00 175.02 173.55 1nku s GLN 72 N -3.23 2.75 0.47 4.11 -0.21 -1.26 -4.99 119.66 117.29 1nku s GLN 72 Ca 0.67 -1.01 0.14 0.00 0.02 0.00 0.00 55.36 55.18 1nku s GLN 72 Cb -0.16 -2.53 1.11 0.00 1.00 0.00 0.00 33.01 32.44 1nku s GLN 72 CO 0.19 0.45 2.06 0.93 -2.12 0.00 0.00 175.29 176.80 1nku h GLU 73 N 2.24 0.25 -0.96 2.91 3.07 -2.01 -0.52 114.58 119.55 1nku h GLU 73 Ca -0.47 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.38 1nku h GLU 73 Cb 1.21 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 29.02 1nku h GLU 73 CO 0.61 0.17 0.64 1.49 -1.40 0.00 0.00 179.01 180.52 1nku h GLU 74 N 0.26 1.26 -0.96 2.33 4.81 -2.01 -1.69 114.58 118.58 1nku h GLU 74 Ca 0.15 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1nku h GLU 74 Cb 0.27 -0.29 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1nku h GLU 74 CO -0.03 0.84 0.64 -0.44 -0.73 0.00 0.00 179.01 179.28 1nku h ASP 75 N 1.30 1.08 -0.52 1.04 3.32 -1.48 -1.22 116.42 119.94 1nku h ASP 75 Ca 0.36 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1nku h ASP 75 Cb -0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.12 1nku h ASP 75 CO -0.08 0.76 0.19 0.58 -1.72 0.00 0.00 179.24 178.98 1nku h VAL 76 N 1.26 1.22 -0.76 -1.35 2.07 -1.25 -2.57 116.25 114.87 1nku h VAL 76 Ca 0.37 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1nku h VAL 76 Cb -0.08 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1nku h VAL 76 CO -0.09 0.28 0.49 -0.08 0.02 0.00 0.00 177.57 178.18 1nku h GLU 77 N 0.82 0.95 -0.52 1.57 4.81 -0.87 0.27 114.58 121.61 1nku h GLU 77 Ca 0.19 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1nku h GLU 77 Cb 0.22 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1nku h GLU 77 CO -0.01 0.63 0.04 0.00 -0.73 0.00 0.00 179.01 178.94 1nku h ARG 78 N 0.98 0.88 -0.23 1.92 3.08 -1.26 -2.84 114.38 116.92 1nku h ARG 78 Ca 0.29 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1nku h ARG 78 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1nku h ARG 78 CO -0.09 0.89 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.33 1nku h LEU 79 N 0.76 0.47 -1.27 3.04 3.38 -1.20 -2.64 115.31 117.84 1nku h LEU 79 Ca 0.15 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1nku h LEU 79 Cb 0.47 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1nku h LEU 79 CO 0.02 0.76 0.54 0.58 0.09 0.00 0.00 178.44 180.42 1nku h VAL 80 N 0.40 1.01 0.08 1.22 2.07 -0.71 -2.18 116.25 118.14 1nku h VAL 80 Ca 0.05 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1nku h VAL 80 Cb 0.74 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1nku h VAL 80 CO 0.06 0.16 -0.04 1.56 0.02 0.00 0.00 177.57 179.32 1nku h GLN 81 N 0.85 -0.11 -4.73 1.57 4.20 -1.36 -3.40 115.11 112.14 1nku h GLN 81 Ca 0.36 0.01 -0.67 0.00 0.06 0.00 0.00 58.65 58.41 1nku h GLN 81 Cb 0.31 0.02 -0.19 0.00 0.30 0.00 0.00 27.48 27.92 1nku h GLN 81 CO -0.14 0.28 -0.49 0.16 -0.67 0.00 0.00 178.83 177.98 1nku s ASP 82 N -5.48 6.01 0.00 1.46 -4.77 -0.82 -4.96 116.67 108.12 1nku s ASP 82 Ca -0.15 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 48.69 1nku s ASP 82 Cb 0.02 -2.13 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 1nku s ASP 82 CO 0.63 -0.22 0.00 0.00 0.70 0.00 0.00 175.17 176.28 1nku n ALA 83 N 5.09 1.21 -1.02 2.11 0.00 -1.24 -4.59 120.51 122.08 1nku n ALA 83 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1nku n ALA 83 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 1nku n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 84 N 4.08 0.30 3.51 0.00 0.00 -1.26 -4.95 105.19 106.88 1nku n GLY 84 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1nku n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nku s ILE 85 N -1.53 0.93 0.00 -0.61 -4.36 -1.26 -4.90 121.20 109.47 1nku s ILE 85 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1nku s ILE 85 Cb 0.00 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.18 1nku s ILE 85 CO 0.00 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.18 1nku n ILE 86 N -0.85 0.00 -1.46 8.37 0.13 -1.26 -4.81 119.36 119.48 1nku n ILE 86 Ca -0.06 0.00 -0.37 0.00 -1.10 0.00 0.00 62.75 61.22 1nku n ILE 86 Cb 0.66 0.00 0.06 0.00 -0.84 0.00 0.00 39.64 39.51 1nku n ILE 86 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1nku n ARG 87 N 0.00 0.57 -2.32 9.51 1.74 -1.26 -5.01 116.66 119.89 1nku n ARG 87 Ca 0.00 0.23 -0.03 0.00 -0.77 0.00 0.00 57.85 57.28 1nku n ARG 87 Cb 0.00 -1.94 -0.01 0.00 -1.02 0.00 0.00 32.46 29.49 1nku n ARG 87 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1nku n HIS 88 N -1.98 -0.01 0.00 -1.55 1.44 -1.26 -4.57 115.22 107.29 1nku n HIS 88 Ca 0.12 -0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 1nku n HIS 88 Cb 0.48 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1nku n HIS 88 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1nku n ARG 89 N -0.12 0.00 -0.09 -1.40 0.63 -1.26 -2.57 116.66 111.86 1nku n ARG 89 Ca -0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1nku n ARG 89 Cb 0.08 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.98 1nku n ARG 89 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1nku h GLY 90 N 0.00 0.42 0.86 5.14 0.00 -2.00 0.10 103.07 107.60 1nku h GLY 90 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1nku h GLY 90 CO 0.00 0.15 0.06 1.70 0.00 0.00 0.00 176.54 178.44 1nku h LYS 91 N 0.40 0.25 -0.52 4.80 3.64 -1.74 -2.55 116.57 120.85 1nku h LYS 91 Ca 0.11 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1nku h LYS 91 Cb -0.04 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 1nku h LYS 91 CO -0.03 0.36 0.25 0.82 -2.27 0.00 0.00 179.45 178.58 1nku h ILE 92 N 0.10 0.94 -0.55 2.00 2.04 -1.69 -1.01 117.51 119.33 1nku h ILE 92 Ca 0.05 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1nku h ILE 92 Cb 0.21 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1nku h ILE 92 CO -0.00 0.09 0.37 1.56 0.00 0.00 0.00 178.15 180.16 1nku h GLN 93 N 0.49 0.68 -0.54 2.37 4.20 -0.86 -1.41 115.11 120.04 1nku h GLN 93 Ca 0.23 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1nku h GLN 93 Cb 0.16 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1nku h GLN 93 CO -0.17 0.45 0.07 0.00 -0.67 0.00 0.00 178.83 178.50 1nku h ALA 94 N 1.67 1.10 -0.44 3.87 0.00 -0.77 -2.68 119.26 122.00 1nku h ALA 94 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 94 Cb -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1nku h ALA 94 CO -0.05 0.59 0.22 0.82 0.00 0.00 0.00 179.25 180.82 1nku h ILE 95 N 0.83 1.18 -0.49 0.00 1.08 -0.71 -0.26 117.51 119.14 1nku h ILE 95 Ca 0.17 -0.50 0.04 0.00 -0.39 0.00 0.00 64.86 64.18 1nku h ILE 95 Cb 0.40 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1nku h ILE 95 CO 0.01 0.19 0.26 0.40 -0.69 0.00 0.00 178.15 178.32 1nku h ILE 96 N 0.57 0.99 -0.46 -0.67 2.04 -1.22 -1.89 117.51 116.86 1nku h ILE 96 Ca 0.15 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 1nku h ILE 96 Cb 0.11 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1nku h ILE 96 CO -0.02 0.09 -0.24 1.23 0.00 0.00 0.00 178.15 179.22 1nku h GLY 97 N 0.51 1.06 1.02 5.37 0.00 -1.21 -2.74 103.07 107.09 1nku h GLY 97 Ca 0.21 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1nku h GLY 97 CO -0.13 0.88 0.56 3.43 0.00 0.00 0.00 176.54 181.27 1nku h ASN 98 N 0.83 1.10 -0.38 0.19 2.35 -0.64 -2.09 115.58 116.93 1nku h ASN 98 Ca 0.10 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1nku h ASN 98 Cb 0.82 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1nku h ASN 98 CO 0.07 0.84 -0.12 0.00 -1.65 0.00 0.00 177.43 176.57 1nku h ALA 99 N 1.31 0.94 -0.68 -0.83 0.00 -1.29 0.73 119.26 119.43 1nku h ALA 99 Ca 0.33 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 99 Cb -0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1nku h ALA 99 CO -0.06 0.62 0.42 -0.09 0.00 0.00 0.00 179.25 180.13 1nku h ARG 100 N 0.75 0.78 -0.03 0.00 2.43 -1.08 0.51 114.38 117.75 1nku h ARG 100 Ca 0.12 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 1nku h ARG 100 Cb 0.62 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1nku h ARG 100 CO 0.04 0.52 -0.66 0.00 -1.51 0.00 0.00 179.97 178.36 1nku h ALA 101 N 1.31 0.11 -0.29 2.80 0.00 -1.19 -2.59 119.26 119.41 1nku h ALA 101 Ca 0.28 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nku h ALA 101 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nku h ALA 101 CO -0.12 0.42 0.17 -0.92 0.00 0.00 0.00 179.25 178.79 1nku h TYR 102 N 0.04 0.39 -0.78 0.00 5.03 -0.50 -0.95 116.97 120.19 1nku h TYR 102 Ca -0.07 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 1nku h TYR 102 Cb 1.34 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.46 1nku h TYR 102 CO 0.13 0.30 0.39 1.25 -1.32 0.00 0.00 178.16 178.91 1nku h LEU 103 N 0.36 1.01 -0.91 2.82 5.85 -0.06 -1.61 115.31 122.77 1nku h LEU 103 Ca 0.10 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1nku h LEU 103 Cb 0.03 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1nku h LEU 103 CO -0.02 0.84 0.52 -0.61 -0.34 0.00 0.00 178.44 178.84 1nku h GLN 104 N 1.09 1.26 -0.55 1.25 4.15 -1.06 0.56 115.11 121.81 1nku h GLN 104 Ca 0.27 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1nku h GLN 104 Cb 0.09 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1nku h GLN 104 CO -0.04 0.90 0.24 1.98 -1.93 0.00 0.00 178.83 179.98 1nku h MET 105 N 1.27 0.81 -0.04 1.69 4.05 -0.50 -2.11 114.93 120.10 1nku h MET 105 Ca 0.32 -0.14 -0.08 0.00 -0.28 0.00 0.00 59.70 59.53 1nku h MET 105 Cb -0.01 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 1nku h MET 105 CO -0.06 0.69 -0.36 1.49 0.23 0.00 0.00 176.91 178.90 1nku h GLU 106 N 0.74 0.07 -0.56 0.39 4.57 -0.73 -2.35 114.58 116.71 1nku h GLU 106 Ca 0.18 -0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.50 1nku h GLU 106 Cb 0.17 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1nku h GLU 106 CO -0.02 0.43 0.47 0.37 -1.18 0.00 0.00 179.01 179.08 1nku h GLN 107 N 0.06 0.00 0.00 1.92 5.75 -0.18 1.27 115.11 123.93 1nku h GLN 107 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1nku h GLN 107 Cb 0.67 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1nku h GLN 107 CO 0.05 0.00 0.00 -0.97 -2.65 0.00 0.00 178.83 175.26 1nku h ASN 108 N 0.00 0.00 0.00 -0.69 -0.73 -1.42 -3.46 115.58 109.28 1nku h ASN 108 Ca 0.27 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.44 1nku h ASN 108 Cb 1.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 1nku h ASN 108 CO -0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 1nku n GLY 109 N 0.70 0.78 3.35 1.57 0.00 0.44 -5.04 105.19 107.00 1nku n GLY 109 Ca 0.04 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.58 2.80 0.16 1.61 8.01 -1.26 -5.05 118.70 124.40 1nku s GLU 110 Ca 0.00 -1.26 -0.34 0.00 0.01 0.00 0.00 54.97 53.38 1nku s GLU 110 Cb 0.00 -3.87 -0.16 0.00 -4.31 0.00 0.00 34.13 25.79 1nku s GLU 110 CO 0.00 -0.87 1.20 -2.30 0.01 0.00 0.00 175.26 173.30 1nku n PRO 111 N 5.04 1.17 -0.19 0.39 -0.02 -1.26 -4.47 135.00 135.66 1nku n PRO 111 Ca -0.11 0.42 -0.07 0.00 -2.02 0.00 0.00 63.50 61.71 1nku n PRO 111 Cb 0.44 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1nku n PRO 111 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1nku h PHE 112 N 3.60 0.76 -0.56 6.00 3.04 -1.95 -2.73 116.94 125.10 1nku h PHE 112 Ca -0.44 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.47 1nku h PHE 112 Cb 1.34 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.58 1nku h PHE 112 CO 0.55 0.56 0.27 0.00 -2.02 0.00 0.00 178.31 177.67 1nku h ALA 113 N 1.14 0.73 -0.84 2.41 0.00 -1.89 -2.22 119.26 118.59 1nku h ALA 113 Ca 0.19 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1nku h ALA 113 Cb 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1nku h ALA 113 CO -0.03 0.29 0.55 -0.44 0.00 0.00 0.00 179.25 179.61 1nku h ASP 114 N 0.76 0.78 -0.52 0.00 3.32 -1.84 -0.68 116.42 118.25 1nku h ASP 114 Ca 0.19 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1nku h ASP 114 Cb 0.12 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1nku h ASP 114 CO -0.02 0.49 0.29 0.15 -1.72 0.00 0.00 179.24 178.42 1nku h PHE 115 N 0.88 0.53 -0.52 4.55 3.57 -1.11 0.83 116.94 125.67 1nku h PHE 115 Ca 0.37 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.90 1nku h PHE 115 Cb 0.30 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1nku h PHE 115 CO -0.00 0.28 0.34 0.28 -2.23 0.00 0.00 178.31 176.98 1nku h VAL 116 N 0.56 1.11 -0.14 1.41 2.07 -0.94 -1.22 116.25 119.10 1nku h VAL 116 Ca 0.22 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1nku h VAL 116 Cb 0.08 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1nku h VAL 116 CO -0.12 0.12 -0.07 -0.50 0.02 0.00 0.00 177.57 177.02 1nku h TRP 117 N 0.68 0.22 -0.50 1.57 4.06 -0.59 -2.17 115.95 119.22 1nku h TRP 117 Ca 0.20 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.13 1nku h TRP 117 Cb -0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 1nku h TRP 117 CO -0.05 0.29 0.30 0.66 -3.56 0.00 0.00 178.44 176.09 1nku h SER 118 N 0.21 0.59 -0.06 -3.49 4.64 0.39 0.25 113.55 116.08 1nku h SER 118 Ca 0.05 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1nku h SER 118 Cb 0.26 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1nku h SER 118 CO 0.01 0.45 -0.22 -0.26 -0.87 0.00 0.00 176.83 175.94 1nku h PHE 119 N 0.68 0.52 -0.56 4.77 0.04 -1.21 -2.27 116.94 118.91 1nku h PHE 119 Ca 0.18 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1nku h PHE 119 Cb -0.03 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1nku h PHE 119 CO 0.00 0.66 0.00 1.33 -0.60 0.00 0.00 178.31 179.70 1nku n VAL 120 N -4.14 1.71 -3.48 -0.55 0.24 -0.70 -4.90 118.33 106.50 1nku n VAL 120 Ca -0.00 -1.05 -0.25 0.00 -2.04 0.00 0.00 64.34 60.99 1nku n VAL 120 Cb 0.38 0.02 0.03 0.00 -1.47 0.00 0.00 33.84 32.80 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nku n ASN 121 N 0.91 -5.24 -3.75 -1.34 3.02 -0.41 -1.05 115.26 107.40 1nku n ASN 121 Ca 0.23 -0.51 -0.29 0.00 -0.03 0.00 0.00 54.58 53.98 1nku n ASN 121 Cb 0.84 -4.21 -0.01 0.00 -0.61 0.00 0.00 39.78 35.79 1nku n ASN 121 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1nku n HIS 122 N -4.53 -1.82 -3.81 3.10 8.25 0.76 -4.90 115.22 112.26 1nku n HIS 122 Ca -0.02 0.63 -0.30 0.00 -0.26 0.00 0.00 57.72 57.78 1nku n HIS 122 Cb 0.56 -2.99 -0.14 0.00 1.12 0.00 0.00 29.99 28.54 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 -6.42 1.46 0.55 -0.41 -0.21 -0.22 -5.11 119.66 109.31 1nku s GLN 123 Ca 0.56 -2.11 -0.19 0.00 0.02 0.00 0.00 55.36 53.64 1nku s GLN 123 Cb -0.30 -2.68 -0.08 0.00 1.00 0.00 0.00 33.01 30.96 1nku s GLN 123 CO 0.69 -1.11 0.73 -2.30 -2.12 0.00 0.00 175.29 171.18 1nku n PRO 124 N 3.58 0.74 -4.18 2.91 -0.02 -1.26 -4.96 135.00 131.80 1nku n PRO 124 Ca 0.06 0.28 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 1nku n PRO 124 Cb 0.35 -1.89 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 1nku n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nku s GLN 125 N -2.27 2.72 0.03 -0.52 -0.21 -0.30 -5.00 119.66 114.11 1nku s GLN 125 Ca 0.70 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 55.43 1nku s GLN 125 Cb -0.46 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 1nku s GLN 125 CO 0.52 0.58 -0.16 -1.64 -2.12 0.00 0.00 175.29 172.47 1nku s MET 126 N -1.98 1.11 0.08 2.91 -1.94 -1.26 -0.74 119.30 117.48 1nku s MET 126 Ca 0.24 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 1nku s MET 126 Cb -0.12 -1.15 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 1nku s MET 126 CO 0.15 0.29 -0.06 -0.08 -0.01 0.00 0.00 175.02 175.32 1nku s THR 127 N -0.75 0.54 -0.30 2.05 -1.32 -1.07 -4.92 115.64 109.87 1nku s THR 127 Ca 0.04 -1.83 0.18 0.00 -1.21 0.00 0.00 61.69 58.87 1nku s THR 127 Cb -0.08 -1.55 0.48 0.00 -1.51 0.00 0.00 72.50 69.84 1nku s THR 127 CO 0.01 -0.87 1.05 0.00 -2.21 0.00 0.00 174.62 172.59 1nku n GLN 128 N 0.12 1.74 -1.92 7.08 10.64 -1.26 -4.72 117.38 129.04 1nku n GLN 128 Ca -0.13 -3.52 -0.38 0.00 -1.83 0.00 0.00 57.00 51.14 1nku n GLN 128 Cb 0.60 -1.55 0.03 0.00 -0.86 0.00 0.00 30.24 28.46 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 -3.48 2.86 0.14 2.61 0.00 -1.26 -4.38 121.76 118.24 1nku s ALA 129 Ca 0.30 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 1nku s ALA 129 Cb 0.39 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1nku s ALA 129 CO -0.01 -1.16 1.50 1.15 0.00 0.00 0.00 175.76 177.24 1nku h THR 130 N 1.56 1.28 -4.46 0.00 2.02 -1.96 -3.01 112.91 108.34 1nku h THR 130 Ca -0.50 -1.43 -0.32 0.00 0.77 0.00 0.00 66.41 64.93 1nku h THR 130 Cb 1.28 1.29 -0.14 0.00 -1.74 0.00 0.00 68.15 68.84 1nku h THR 130 CO 0.58 0.48 -0.59 0.28 0.37 0.00 0.00 175.52 176.65 1nku s THR 131 N -4.55 0.11 0.40 3.16 -1.32 -1.26 -4.67 115.64 107.52 1nku s THR 131 Ca -0.12 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.44 1nku s THR 131 Cb 0.11 -2.52 0.23 0.00 -1.51 0.00 0.00 72.50 68.81 1nku s THR 131 CO 0.86 0.00 2.01 -0.07 -2.21 0.00 0.00 174.62 175.21 1nku h LEU 132 N 2.44 0.39 -0.90 9.08 3.38 -1.89 -2.51 115.31 125.30 1nku h LEU 132 Ca -0.34 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1nku h LEU 132 Cb 1.25 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1nku h LEU 132 CO 0.51 0.36 0.58 -1.28 0.09 0.00 0.00 178.44 178.69 1nku h SER 133 N 0.44 0.93 0.22 -0.43 0.87 -1.99 -0.89 113.55 112.70 1nku h SER 133 Ca 0.11 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1nku h SER 133 Cb 0.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1nku h SER 133 CO -0.01 0.61 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.34 1nku h GLU 134 N 1.08 0.02 -6.27 2.24 4.39 -1.86 -3.41 114.58 110.77 1nku h GLU 134 Ca 0.38 -0.01 -0.55 0.00 0.34 0.00 0.00 59.36 59.52 1nku h GLU 134 Cb 0.10 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1nku h GLU 134 CO -0.15 0.25 0.84 0.42 -1.16 0.00 0.00 179.01 179.21 1nku s ILE 135 N -4.52 4.06 0.24 3.13 1.01 -0.34 -5.00 121.20 119.78 1nku s ILE 135 Ca -0.04 1.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 1nku s ILE 135 Cb 0.15 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 1nku s ILE 135 CO 0.71 -0.05 1.01 -2.16 0.00 0.00 0.00 174.94 174.45 1nku s PRO 136 N 2.85 4.75 0.00 2.79 0.04 -1.26 -4.94 135.00 139.23 1nku s PRO 136 Ca 0.59 1.61 0.26 0.00 0.04 0.00 0.00 61.00 63.51 1nku s PRO 136 Cb -0.26 -3.26 0.67 0.00 0.04 0.00 0.00 34.50 31.69 1nku s PRO 136 CO 0.21 0.36 1.52 0.25 0.04 0.00 0.00 177.00 179.39 1nku n THR 137 N 1.55 0.00 -3.85 1.26 -2.24 -1.26 -4.65 114.28 105.09 1nku n THR 137 Ca -0.01 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1nku n THR 137 Cb 0.46 0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 69.40 1nku n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1nku s SER 138 N -2.10 4.17 0.11 3.42 0.01 -1.26 -4.76 113.70 113.28 1nku s SER 138 Ca 0.32 -2.37 0.02 0.00 1.31 0.00 0.00 55.95 55.23 1nku s SER 138 Cb 0.20 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.11 1nku s SER 138 CO 0.37 -0.32 0.21 0.42 0.41 0.00 0.00 173.24 174.32 1nku s THR 139 N 0.63 5.14 0.38 1.44 -4.23 -1.26 -4.99 115.64 112.75 1nku s THR 139 Ca 0.14 -0.63 0.15 0.00 -1.18 0.00 0.00 61.69 60.17 1nku s THR 139 Cb -0.22 -3.56 0.37 0.00 1.34 0.00 0.00 72.50 70.42 1nku s THR 139 CO -0.08 0.03 1.79 -0.65 -0.54 0.00 0.00 174.62 175.17 1nku h PRO 140 N 2.71 0.47 -0.20 3.99 0.11 -2.00 -0.98 132.00 136.10 1nku h PRO 140 Ca -0.47 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1nku h PRO 140 Cb 1.18 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.19 1nku h PRO 140 CO 0.70 0.31 -0.60 0.00 -0.21 0.00 0.00 178.00 178.20 1nku h ALA 141 N 1.63 0.35 -0.75 -0.75 0.00 -1.94 -2.64 119.26 115.15 1nku h ALA 141 Ca 0.57 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nku h ALA 141 Cb 1.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1nku h ALA 141 CO -0.29 0.60 0.37 0.66 0.00 0.00 0.00 179.25 180.59 1nku h SER 142 N 0.50 0.98 -0.42 0.00 4.64 -1.59 0.71 113.55 118.37 1nku h SER 142 Ca -0.02 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1nku h SER 142 Cb 1.22 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1nku h SER 142 CO 0.13 0.83 0.05 -0.78 -0.87 0.00 0.00 176.83 176.18 1nku h ASP 143 N 1.06 0.68 -0.50 4.97 3.58 -1.41 -2.35 116.42 122.45 1nku h ASP 143 Ca 0.26 -0.27 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 1nku h ASP 143 Cb 0.10 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1nku h ASP 143 CO -0.04 0.79 -0.14 0.00 -2.88 0.00 0.00 179.24 176.97 1nku h ALA 144 N 0.92 0.77 -0.35 -0.78 0.00 -1.16 -2.85 119.26 115.80 1nku h ALA 144 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1nku h ALA 144 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1nku h ALA 144 CO 0.01 0.67 0.21 1.25 0.00 0.00 0.00 179.25 181.39 1nku h LEU 145 N 0.88 0.43 -0.86 0.00 6.46 -0.72 -1.46 115.31 120.03 1nku h LEU 145 Ca 0.13 -0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1nku h LEU 145 Cb 0.71 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 1nku h LEU 145 CO 0.05 0.36 0.55 -1.28 -0.62 0.00 0.00 178.44 177.51 1nku h SER 146 N 0.46 0.91 -0.47 1.25 0.87 -1.35 -0.33 113.55 114.89 1nku h SER 146 Ca 0.13 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1nku h SER 146 Cb 0.01 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1nku h SER 146 CO -0.02 0.61 0.15 0.11 -0.53 0.00 0.00 176.83 177.15 1nku h LYS 147 N 1.06 0.78 0.10 2.24 1.57 -1.21 0.22 116.57 121.33 1nku h LYS 147 Ca 0.35 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1nku h LYS 147 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1nku h LYS 147 CO -0.13 0.69 -0.05 0.00 -0.57 0.00 0.00 179.45 179.39 1nku h ALA 148 N 1.41 -0.14 -0.36 3.86 0.00 -0.10 -2.51 119.26 121.43 1nku h ALA 148 Ca 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nku h ALA 148 Cb 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1nku h ALA 148 CO -0.01 -0.36 0.04 -0.07 0.00 0.00 0.00 179.25 178.85 1nku h LEU 149 N -0.58 0.50 -0.75 0.00 4.07 -0.99 -2.22 115.31 115.33 1nku h LEU 149 Ca -0.01 -0.08 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1nku h LEU 149 Cb 0.47 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 1nku h LEU 149 CO 0.02 0.55 0.47 0.50 -1.08 0.00 0.00 178.44 178.90 1nku h LYS 150 N 0.52 0.88 -0.37 1.13 3.64 -0.46 -0.62 116.57 121.29 1nku h LYS 150 Ca 0.12 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1nku h LYS 150 Cb 0.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1nku h LYS 150 CO 0.00 0.58 0.11 0.87 -2.27 0.00 0.00 179.45 178.75 1nku h LYS 151 N 0.91 0.53 0.00 1.90 1.57 -0.95 -0.40 116.57 120.13 1nku h LYS 151 Ca 0.31 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1nku h LYS 151 Cb 0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1nku h LYS 151 CO -0.12 0.48 -0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1nku h ARG 152 N 0.53 0.00 0.00 3.15 2.47 -0.88 -3.45 114.38 116.20 1nku h ARG 152 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1nku h ARG 152 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1nku h ARG 152 CO -0.01 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 1nku n GLY 153 N -0.67 1.50 3.79 0.04 0.00 -0.16 -4.88 105.19 104.80 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 3.73 0.29 1.61 0.40 -1.07 -4.89 117.98 116.04 1nku s PHE 154 Ca 0.00 1.19 0.07 0.00 -0.60 0.00 0.00 56.93 57.59 1nku s PHE 154 Cb 0.00 -2.53 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 1nku s PHE 154 CO 0.00 0.47 0.27 0.15 0.70 0.00 0.00 175.22 176.81 1nku s LYS 155 N -0.60 2.90 -0.82 0.44 1.02 -1.26 -4.58 119.74 116.84 1nku s LYS 155 Ca 0.29 -1.13 -0.00 0.00 0.02 0.00 0.00 55.97 55.15 1nku s LYS 155 Cb -0.18 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1nku s LYS 155 CO 0.17 0.24 0.68 1.19 -0.92 0.00 0.00 175.35 176.72 1nku n PHE 156 N -1.32 -1.51 -1.33 3.18 3.72 -1.26 -4.94 117.46 114.00 1nku n PHE 156 Ca -0.05 0.64 0.08 0.00 -0.05 0.00 0.00 57.45 58.07 1nku n PHE 156 Cb 0.59 -4.06 0.18 0.00 -0.94 0.00 0.00 39.48 35.24 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 -3.18 2.06 -1.27 -4.37 0.24 -1.26 -4.50 118.33 106.05 1nku n VAL 157 Ca -0.18 -2.74 -0.38 0.00 -2.04 0.00 0.00 64.34 59.00 1nku n VAL 157 Cb 0.61 -0.24 0.03 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.27 -2.80 0.40 7.63 0.00 -1.26 -4.40 105.19 103.48 1nku n GLY 158 Ca 0.18 -0.27 0.20 0.00 0.00 0.00 0.00 46.02 46.14 1nku n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nku h THR 159 N -0.10 0.71 -0.24 2.61 2.02 -1.97 0.06 112.91 116.01 1nku h THR 159 Ca -0.43 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1nku h THR 159 Cb 1.41 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1nku h THR 159 CO 0.41 0.02 -0.01 0.74 0.37 0.00 0.00 175.52 177.06 1nku h THR 160 N 0.14 1.26 -0.73 3.16 2.02 -1.88 -1.27 112.91 115.61 1nku h THR 160 Ca 0.33 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1nku h THR 160 Cb 1.11 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1nku h THR 160 CO -0.05 0.29 0.24 0.40 0.37 0.00 0.00 175.52 176.78 1nku h ILE 161 N 0.19 1.26 -0.38 3.11 2.04 -1.32 -1.71 117.51 120.69 1nku h ILE 161 Ca 0.07 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1nku h ILE 161 Cb 0.43 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1nku h ILE 161 CO 0.01 0.35 0.15 0.00 0.00 0.00 0.00 178.15 178.66 1nku h TYR 163 N 0.48 0.47 -0.88 0.00 3.20 -0.93 -0.01 116.97 119.30 1nku h TYR 163 Ca 0.13 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1nku h TYR 163 Cb 0.19 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1nku h TYR 163 CO -0.00 0.33 0.49 1.03 -1.64 0.00 0.00 178.16 178.37 1nku h SER 164 N 0.47 1.09 -0.66 -2.11 0.87 -1.09 -2.18 113.55 109.94 1nku h SER 164 Ca 0.13 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1nku h SER 164 Cb -0.01 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 1nku h SER 164 CO -0.02 0.87 0.34 0.15 -0.53 0.00 0.00 176.83 177.63 1nku h PHE 165 N 1.22 0.93 -0.77 2.24 3.57 -0.34 -2.30 116.94 121.48 1nku h PHE 165 Ca 0.31 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1nku h PHE 165 Cb 0.01 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 1nku h PHE 165 CO 0.01 0.68 0.46 0.52 -2.23 0.00 0.00 178.31 177.75 1nku h MET 166 N 0.90 1.05 -0.75 1.11 2.86 -0.44 0.15 114.93 119.81 1nku h MET 166 Ca 0.23 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1nku h MET 166 Cb 0.08 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1nku h MET 166 CO -0.03 0.74 0.48 1.96 1.06 0.00 0.00 176.91 181.12 1nku h GLN 167 N 1.07 1.00 -0.18 1.72 4.20 -0.85 -1.39 115.11 120.68 1nku h GLN 167 Ca 0.28 -0.07 -0.21 0.00 0.06 0.00 0.00 58.65 58.71 1nku h GLN 167 Cb -0.03 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.53 1nku h GLN 167 CO -0.05 0.68 -0.72 0.00 -0.67 0.00 0.00 178.83 178.07 1nku h ALA 168 N 1.26 0.39 -0.63 3.87 0.00 -1.12 -3.11 119.26 119.91 1nku h ALA 168 Ca 0.27 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nku h ALA 168 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1nku h ALA 168 CO -0.06 0.69 0.39 0.00 0.00 0.00 0.00 179.25 180.28 1nku n GLY 170 N -1.37 0.74 0.36 0.00 0.00 -0.56 -0.88 105.19 103.48 1nku n GLY 170 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 0.59 -8.57 0.99 3.38 -1.84 -3.34 115.31 106.52 1nku h LEU 171 Ca 0.00 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 1nku h LEU 171 Cb 0.00 -0.11 -0.23 0.00 0.09 0.00 0.00 40.66 40.41 1nku h LEU 171 CO 0.00 0.35 -0.82 0.68 0.09 0.00 0.00 178.44 178.74 1nku s VAL 172 N -5.61 1.56 -0.45 1.22 -7.23 -1.26 -1.15 120.40 107.48 1nku s VAL 172 Ca -0.09 -1.37 -0.11 0.00 -1.81 0.00 0.00 61.98 58.60 1nku s VAL 172 Cb 0.20 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.83 1nku s VAL 172 CO 0.77 -0.01 0.33 0.20 -0.31 0.00 0.00 175.10 176.08 1nku s ASN 173 N -1.63 5.79 -0.50 4.85 0.01 0.08 -4.76 114.94 118.78 1nku s ASN 173 Ca 0.05 -1.62 0.03 0.00 -0.71 0.00 0.00 52.86 50.61 1nku s ASN 173 Cb -0.09 -2.05 0.13 0.00 0.41 0.00 0.00 41.25 39.65 1nku s ASN 173 CO 0.03 -0.63 0.25 1.51 -1.51 0.00 0.00 177.10 176.75 1nku s ASP 174 N 2.49 4.48 0.00 -1.22 -4.77 -1.26 -2.58 116.67 113.81 1nku s ASP 174 Ca 0.04 -2.86 0.00 0.00 -3.30 0.00 0.00 52.55 46.42 1nku s ASP 174 Cb -0.25 -1.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.92 1nku s ASP 174 CO 0.02 -0.27 0.00 1.41 0.70 0.00 0.00 175.17 177.03 1nku n HIS 175 N 3.33 0.00 -3.65 2.11 8.25 -1.26 -5.06 115.22 118.94 1nku n HIS 175 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1nku n HIS 175 Cb 0.34 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 1nku n HIS 175 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nku s VAL 176 N 0.33 0.00 -0.26 1.59 0.11 -1.26 -4.73 120.40 116.18 1nku s VAL 176 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1nku s VAL 176 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1nku s VAL 176 CO 0.00 0.00 0.81 0.55 -3.33 0.00 0.00 175.10 173.13 1nku n VAL 177 N 2.60 0.69 -1.52 2.04 3.14 -1.14 0.61 118.33 124.76 1nku n VAL 177 Ca -0.15 0.57 -0.00 0.00 -2.96 0.00 0.00 64.34 61.80 1nku n VAL 177 Cb 0.57 -1.57 0.20 0.00 -1.06 0.00 0.00 33.84 31.98 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nku n GLY 178 N -1.22 5.01 3.78 7.55 0.00 -1.26 -4.38 105.19 114.67 1nku n GLY 178 Ca -0.00 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 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 -5.55 3.00 0.28 0.00 5.04 0.04 -4.95 117.35 115.20 1nku s TYR 182 Ca -0.13 -3.09 0.01 0.00 -2.44 0.00 0.00 57.07 51.42 1nku s TYR 182 Cb 0.15 -2.34 0.56 0.00 0.35 0.00 0.00 41.96 40.67 1nku s TYR 182 CO 0.82 -0.62 1.81 -1.35 -1.34 0.00 0.00 175.55 174.87 1nku h PRO 183 N 5.60 0.85 0.00 4.97 0.11 -1.47 -3.27 132.00 138.80 1nku h PRO 183 Ca 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1nku h PRO 183 Cb 0.80 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1nku h PRO 183 CO 0.64 0.56 0.00 0.41 -0.21 0.00 0.00 178.00 179.40 1nku n GLY 184 N -1.34 1.87 0.58 -0.55 0.00 -1.26 -4.33 105.19 100.17 1nku n GLY 184 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 1nku n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nku n ASN 185 N 0.00 -0.15 -3.32 1.61 0.23 -1.26 -5.03 115.26 107.34 1nku n ASN 185 Ca 0.00 -1.18 -0.23 0.00 -0.53 0.00 0.00 54.58 52.65 1nku n ASN 185 Cb 0.00 0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 37.66 1nku n ASN 185 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1nku s LYS 186 N 0.00 0.81 0.00 -3.83 2.20 -1.26 -5.25 119.74 112.40 1nku s LYS 186 Ca 0.00 -1.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.02 1nku s LYS 186 Cb 0.00 -1.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.24 1nku s LYS 186 CO -0.00 -1.31 0.29 -2.30 -0.36 0.00 0.00 175.35 171.67