#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 0.39 0.25 3.17 2.56 -1.26 -5.03 118.70 118.78 1nku s GLU 2 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 54.97 54.76 1nku s GLU 2 Cb 0.00 0.16 -0.05 0.00 2.00 0.00 0.00 34.13 36.24 1nku s GLU 2 CO 0.00 -0.09 -0.15 0.50 -0.56 0.00 0.00 175.26 174.96 1nku s ARG 3 N -1.12 1.83 0.45 4.30 6.06 -1.26 -2.25 118.95 126.97 1nku s ARG 3 Ca -0.12 -1.58 -0.19 0.00 -2.50 0.00 0.00 55.73 51.33 1nku s ARG 3 Cb -0.07 -1.92 -0.15 0.00 0.06 0.00 0.00 34.95 32.87 1nku s ARG 3 CO 0.01 0.36 -0.02 0.00 -2.50 0.00 0.00 175.30 173.15 1nku n GLY 5 N 2.42 -1.22 0.26 0.00 0.00 -1.26 -4.08 105.19 101.30 1nku n GLY 5 Ca 0.09 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.23 -2.95 1.61 5.08 -1.94 -3.41 115.95 114.58 1nku h TRP 6 Ca -0.13 -0.01 -0.53 0.00 1.08 0.00 0.00 58.89 59.30 1nku h TRP 6 Cb 1.40 -0.07 0.02 0.00 -3.00 0.00 0.00 29.16 27.51 1nku h TRP 6 CO 0.00 0.27 0.77 0.14 -1.28 0.00 0.00 178.44 178.34 1nku s VAL 7 N -4.94 3.28 -0.34 0.12 -7.23 -1.26 -4.86 120.40 105.17 1nku s VAL 7 Ca -0.06 0.88 0.04 0.00 -1.81 0.00 0.00 61.98 61.03 1nku s VAL 7 Cb 0.16 -3.57 0.19 0.00 0.56 0.00 0.00 36.38 33.73 1nku s VAL 7 CO 0.72 0.05 1.19 -1.54 -0.31 0.00 0.00 175.10 175.21 1nku n SER 8 N 4.27 -1.37 0.00 4.85 3.41 -1.26 -5.02 113.62 118.50 1nku n SER 8 Ca 0.12 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 1nku n SER 8 Cb 0.42 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.47 1nku n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nku n GLN 9 N -0.24 0.00 -3.45 4.33 1.13 -1.26 -5.13 117.38 112.76 1nku n GLN 9 Ca -0.16 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.58 1nku n GLN 9 Cb 0.71 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 31.01 1nku n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1nku s ASP 10 N 1.28 6.57 0.64 1.08 1.01 -1.26 -4.95 116.67 121.03 1nku s ASP 10 Ca 0.00 0.83 0.39 0.00 0.71 0.00 0.00 52.55 54.48 1nku s ASP 10 Cb 0.00 -2.19 2.12 0.00 1.01 0.00 0.00 42.92 43.87 1nku s ASP 10 CO 0.00 -0.07 2.19 1.55 0.21 0.00 0.00 175.17 179.05 1nku h PRO 11 N 2.45 0.00 -0.40 8.23 0.13 -2.01 -1.60 132.00 138.79 1nku h PRO 11 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1nku h PRO 11 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1nku h PRO 11 CO 0.69 0.00 0.10 1.25 -0.23 0.00 0.00 178.00 179.81 1nku h LEU 12 N 0.00 0.54 -0.04 1.56 6.46 -1.99 -1.23 115.31 120.61 1nku h LEU 12 Ca 0.00 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1nku h LEU 12 Cb 0.17 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 1nku h LEU 12 CO 0.00 0.54 -0.08 1.88 -0.62 0.00 0.00 178.44 180.17 1nku h TYR 13 N 0.58 -0.19 -0.24 1.25 0.05 -1.68 -0.49 116.97 116.24 1nku h TYR 13 Ca 0.14 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 1nku h TYR 13 Cb 0.22 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1nku h TYR 13 CO 0.01 -0.12 -0.23 0.82 -1.05 0.00 0.00 178.16 177.59 1nku h ILE 14 N -0.12 1.26 -0.35 -2.88 2.04 -1.63 -1.03 117.51 114.80 1nku h ILE 14 Ca 0.05 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1nku h ILE 14 Cb 0.18 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1nku h ILE 14 CO -0.11 0.38 0.19 0.00 0.00 0.00 0.00 178.15 178.61 1nku h ALA 15 N 1.35 0.45 -0.36 1.87 0.00 -0.56 -1.50 119.26 120.50 1nku h ALA 15 Ca 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1nku h ALA 15 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1nku h ALA 15 CO 0.04 -0.01 -0.19 -0.92 0.00 0.00 0.00 179.25 178.17 1nku h TYR 16 N 0.44 0.77 -0.47 0.00 3.20 -0.91 0.67 116.97 120.67 1nku h TYR 16 Ca 0.12 -0.16 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1nku h TYR 16 Cb 0.07 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 1nku h TYR 16 CO -0.02 0.82 0.20 1.25 -1.64 0.00 0.00 178.16 178.77 1nku h HIS 17 N 0.61 0.37 0.11 -3.82 2.76 -0.57 -0.00 115.15 114.60 1nku h HIS 17 Ca 0.09 0.02 -0.29 0.00 -2.20 0.00 0.00 60.37 58.00 1nku h HIS 17 Cb 0.66 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1nku h HIS 17 CO 0.03 0.16 -1.51 -0.44 -1.30 0.00 0.00 177.93 174.87 1nku h ASP 18 N 0.41 0.35 0.22 3.26 3.32 -1.09 -3.34 116.42 119.54 1nku h ASP 18 Ca 0.22 -0.84 -0.00 0.00 0.02 0.00 0.00 57.03 56.43 1nku h ASP 18 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1nku h ASP 18 CO -0.19 1.65 -0.15 0.78 -1.72 0.00 0.00 179.24 179.61 1nku h ASN 19 N -0.31 -0.39 -1.25 6.45 2.35 0.39 -3.43 115.58 119.40 1nku h ASN 19 Ca -0.33 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1nku h ASN 19 Cb 1.76 0.12 -0.23 0.00 0.05 0.00 0.00 38.32 40.02 1nku h ASN 19 CO 0.04 -0.24 -0.33 -1.61 -1.65 0.00 0.00 177.43 173.63 1nku s GLU 20 N -6.13 0.51 -0.31 0.81 2.02 -0.02 -5.05 118.70 110.53 1nku s GLU 20 Ca -0.15 0.86 -0.09 0.00 0.02 0.00 0.00 54.97 55.61 1nku s GLU 20 Cb 0.06 0.26 0.19 0.00 0.10 0.00 0.00 34.13 34.74 1nku s GLU 20 CO 0.65 -0.64 1.01 -0.46 0.02 0.00 0.00 175.26 175.84 1nku s TRP 21 N 2.77 -0.54 0.00 1.61 -0.00 -1.21 -4.46 118.94 117.11 1nku s TRP 21 Ca 0.18 0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.52 1nku s TRP 21 Cb -0.15 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.42 1nku s TRP 21 CO -0.20 -0.33 0.00 0.41 -0.00 0.00 0.00 176.95 176.83 1nku n GLY 22 N 4.65 0.50 3.75 5.86 0.00 -0.30 -4.93 105.19 114.71 1nku n GLY 22 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1nku n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nku s VAL 23 N -2.18 3.37 0.04 1.61 1.01 -1.25 -4.43 120.40 118.57 1nku s VAL 23 Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1nku s VAL 23 Cb 0.00 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1nku s VAL 23 CO 0.00 0.22 1.71 -2.16 0.00 0.00 0.00 175.10 174.87 1nku s PRO 24 N -0.63 4.18 -0.06 2.72 0.04 -1.26 -3.48 135.00 136.51 1nku s PRO 24 Ca 0.52 2.36 0.06 0.00 0.04 0.00 0.00 61.00 63.97 1nku s PRO 24 Cb -0.34 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.42 1nku s PRO 24 CO 0.40 -0.80 -0.24 -1.21 0.04 0.00 0.00 177.00 175.19 1nku s GLU 25 N 3.23 2.59 0.00 4.56 2.02 0.34 -4.98 118.70 126.46 1nku s GLU 25 Ca 0.76 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1nku s GLU 25 Cb -0.39 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1nku s GLU 25 CO 0.33 0.38 0.53 0.25 0.02 0.00 0.00 175.26 176.77 1nku n THR 26 N 2.96 0.24 -2.58 3.63 -2.24 -1.26 -4.93 114.28 110.09 1nku n THR 26 Ca -0.17 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 1nku n THR 26 Cb 0.52 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.24 7.12 0.23 3.42 1.01 -1.26 -4.92 116.67 122.03 1nku s ASP 27 Ca 0.00 1.60 -0.07 0.00 0.71 0.00 0.00 52.55 54.79 1nku s ASP 27 Cb 0.00 -2.55 0.21 0.00 1.01 0.00 0.00 42.92 41.59 1nku s ASP 27 CO 0.00 -0.58 1.87 0.28 0.21 0.00 0.00 175.17 176.95 1nku h SER 28 N 7.43 1.09 -0.26 0.27 0.02 -1.97 -1.77 113.55 118.35 1nku h SER 28 Ca -0.29 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 1nku h SER 28 Cb 1.13 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1nku h SER 28 CO 0.90 0.84 -0.00 0.11 -1.14 0.00 0.00 176.83 177.54 1nku h LYS 29 N 1.24 0.46 -0.28 3.45 1.57 -1.99 -0.77 116.57 120.25 1nku h LYS 29 Ca 0.32 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1nku h LYS 29 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1nku h LYS 29 CO -0.06 0.63 0.13 -0.22 -0.57 0.00 0.00 179.45 179.36 1nku h LYS 30 N 0.24 0.41 -0.63 3.15 3.64 -1.92 -1.23 116.57 120.22 1nku h LYS 30 Ca 0.07 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1nku h LYS 30 Cb 0.42 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1nku h LYS 30 CO 0.01 0.41 0.21 -0.07 -2.27 0.00 0.00 179.45 177.74 1nku h LEU 31 N 0.32 0.89 -0.15 5.20 4.07 -1.31 -0.79 115.31 123.54 1nku h LEU 31 Ca 0.10 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1nku h LEU 31 Cb 0.14 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1nku h LEU 31 CO -0.01 0.83 0.08 0.15 -1.08 0.00 0.00 178.44 178.40 1nku h PHE 32 N 0.93 0.21 -0.13 1.13 3.57 -0.75 -2.40 116.94 119.50 1nku h PHE 32 Ca 0.21 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1nku h PHE 32 Cb 0.25 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1nku h PHE 32 CO 0.02 0.22 -0.20 0.93 -2.23 0.00 0.00 178.31 177.04 1nku h GLU 33 N 0.14 0.22 -0.71 1.11 5.08 -0.95 -2.67 114.58 116.81 1nku h GLU 33 Ca 0.05 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1nku h GLU 33 Cb 0.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1nku h GLU 33 CO -0.01 0.42 0.45 1.98 -1.00 0.00 0.00 179.01 180.85 1nku h MET 34 N 0.21 0.85 -0.34 2.33 4.05 -0.65 -0.82 114.93 120.57 1nku h MET 34 Ca 0.04 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1nku h MET 34 Cb 0.48 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1nku h MET 34 CO 0.03 0.56 0.04 0.82 0.23 0.00 0.00 176.91 178.60 1nku h ILE 35 N 0.88 1.24 -0.48 1.77 1.08 -1.18 -1.61 117.51 119.21 1nku h ILE 35 Ca 0.28 -0.86 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1nku h ILE 35 Cb 0.01 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 1nku h ILE 35 CO -0.10 0.29 0.23 0.00 -0.69 0.00 0.00 178.15 177.87 1nku h LEU 37 N 0.63 0.85 -1.17 0.00 -0.00 -1.10 -2.96 115.31 111.56 1nku h LEU 37 Ca 0.16 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.88 57.65 1nku h LEU 37 Cb 0.13 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 1nku h LEU 37 CO -0.02 0.98 -0.04 -0.33 -0.00 0.00 0.00 178.44 179.02 1nku h GLU 38 N 0.70 0.52 -0.90 1.13 5.08 -1.15 -2.34 114.58 117.61 1nku h GLU 38 Ca 0.13 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1nku h GLU 38 Cb 0.57 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1nku h GLU 38 CO 0.03 0.58 0.58 0.78 -1.00 0.00 0.00 179.01 179.98 1nku h GLY 39 N 0.87 1.28 1.60 -3.84 0.00 -1.18 0.14 103.07 101.94 1nku h GLY 39 Ca 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1nku h GLY 39 CO 0.02 0.13 0.07 1.46 0.00 0.00 0.00 176.54 178.22 1nku h GLN 40 N 0.79 0.51 0.00 4.80 4.20 -1.45 -1.48 115.11 122.48 1nku h GLN 40 Ca 0.44 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.07 1nku h GLN 40 Cb 0.59 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1nku h GLN 40 CO -0.20 0.48 -0.00 -0.56 -0.67 0.00 0.00 178.83 177.88 1nku h GLN 41 N 0.50 0.00 -5.99 1.46 3.07 -0.74 -3.41 115.11 110.00 1nku h GLN 41 Ca 0.12 0.00 -0.75 0.00 0.09 0.00 0.00 58.65 58.10 1nku h GLN 41 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.74 1nku h GLN 41 CO -0.00 0.00 1.34 0.00 0.09 0.00 0.00 178.83 180.26 1nku n ALA 42 N -2.08 0.36 0.00 0.06 0.00 -0.56 0.33 120.51 118.62 1nku n ALA 42 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1nku n ALA 42 Cb 0.13 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 7.34 2.77 3.67 0.00 0.00 -1.26 -5.00 105.19 112.71 1nku n GLY 43 Ca 0.53 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 3.42 0.57 0.99 1.43 1.02 -5.10 118.68 121.01 1nku s LEU 44 Ca 0.00 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 1nku s LEU 44 Cb 0.00 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1nku s LEU 44 CO 0.00 0.21 1.10 -0.55 0.23 0.00 0.00 176.35 177.34 1nku s SER 45 N -2.05 5.67 0.51 2.29 0.15 -1.26 -4.51 113.70 114.50 1nku s SER 45 Ca 0.23 2.06 0.22 0.00 0.70 0.00 0.00 55.95 59.16 1nku s SER 45 Cb -0.12 -2.56 1.31 0.00 -1.71 0.00 0.00 66.02 62.94 1nku s SER 45 CO 0.15 -1.25 2.02 4.11 1.20 0.00 0.00 173.24 179.47 1nku h TRP 46 N 0.87 0.08 -0.72 3.44 0.09 -1.98 -1.46 115.95 116.28 1nku h TRP 46 Ca -0.49 0.00 0.16 0.00 0.09 0.00 0.00 58.89 58.65 1nku h TRP 46 Cb 1.25 -0.02 -0.11 0.00 0.08 0.00 0.00 29.16 30.35 1nku h TRP 46 CO 0.54 0.03 0.13 0.97 0.09 0.00 0.00 178.44 180.20 1nku h ILE 47 N 0.07 0.50 -0.59 0.12 -0.00 -2.00 0.45 117.51 116.06 1nku h ILE 47 Ca 0.22 -0.08 -0.10 0.00 -0.00 0.00 0.00 64.86 64.90 1nku h ILE 47 Cb 0.78 0.25 -0.02 0.00 -0.00 0.00 0.00 36.82 37.83 1nku h ILE 47 CO -0.02 0.04 -0.03 0.74 -0.00 0.00 0.00 178.15 178.88 1nku h THR 48 N 0.23 1.27 -0.45 2.19 2.02 -1.63 -3.04 112.91 113.50 1nku h THR 48 Ca 0.40 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1nku h THR 48 Cb 0.68 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1nku h THR 48 CO -0.53 0.43 0.10 0.58 0.37 0.00 0.00 175.52 176.48 1nku h VAL 49 N 0.96 1.24 -0.37 3.16 2.07 -0.46 -1.87 116.25 120.98 1nku h VAL 49 Ca 0.16 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.91 1nku h VAL 49 Cb 0.59 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1nku h VAL 49 CO 0.04 0.29 0.07 -0.07 0.02 0.00 0.00 177.57 177.92 1nku h LEU 50 N 0.59 -0.00 -0.56 2.57 3.38 -0.21 1.26 115.31 122.35 1nku h LEU 50 Ca 0.14 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1nku h LEU 50 Cb 0.33 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1nku h LEU 50 CO 0.00 0.04 0.34 0.11 0.09 0.00 0.00 178.44 179.02 1nku h LYS 51 N 0.19 0.67 -0.47 1.13 1.57 -1.42 -1.31 116.57 116.93 1nku h LYS 51 Ca 0.17 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1nku h LYS 51 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1nku h LYS 51 CO -0.23 0.44 0.10 -0.22 -0.57 0.00 0.00 179.45 178.97 1nku h LYS 52 N 0.69 0.71 -0.80 3.15 3.64 -0.26 -2.65 116.57 121.05 1nku h LYS 52 Ca 0.22 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1nku h LYS 52 Cb -0.00 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.62 1nku h LYS 52 CO -0.08 0.66 0.39 -0.09 -2.27 0.00 0.00 179.45 178.05 1nku h ARG 53 N 0.69 0.56 -0.19 1.90 2.43 0.27 1.42 114.38 121.48 1nku h ARG 53 Ca 0.15 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1nku h ARG 53 Cb 0.27 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1nku h ARG 53 CO -0.00 0.37 -0.36 0.93 -1.51 0.00 0.00 179.97 179.41 1nku h GLU 54 N 0.58 0.57 -0.47 0.20 5.08 -1.36 -2.68 114.58 116.50 1nku h GLU 54 Ca 0.43 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1nku h GLU 54 Cb 0.58 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1nku h GLU 54 CO -0.35 0.97 -0.14 -0.91 -1.00 0.00 0.00 179.01 177.59 1nku h ASN 55 N 0.23 0.88 -0.25 1.42 2.35 -1.03 -2.70 115.58 116.48 1nku h ASN 55 Ca 0.01 -0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 1nku h ASN 55 Cb 0.95 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1nku h ASN 55 CO 0.08 1.02 0.03 0.22 -1.65 0.00 0.00 177.43 177.13 1nku h TYR 56 N 0.78 0.05 -0.35 1.19 3.20 0.19 0.17 116.97 122.20 1nku h TYR 56 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1nku h TYR 56 Cb 0.66 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1nku h TYR 56 CO 0.04 0.00 0.23 0.00 -1.64 0.00 0.00 178.16 176.79 1nku h ARG 57 N 0.12 0.42 -0.53 1.82 3.08 -1.32 2.26 114.38 120.23 1nku h ARG 57 Ca 0.12 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.25 1nku h ARG 57 Cb 0.13 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 1nku h ARG 57 CO -0.17 0.28 -0.03 0.00 -1.07 0.00 0.00 179.97 178.98 1nku h ALA 58 N 1.79 0.47 0.00 0.04 0.00 -0.63 2.98 119.26 123.91 1nku h ALA 58 Ca 0.13 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1nku h ALA 58 Cb 0.02 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1nku h ALA 58 CO -0.03 -0.40 -1.61 0.00 0.00 0.00 0.00 179.25 177.21 1nku n PHE 60 N -2.63 0.65 -0.34 0.00 3.72 0.75 -4.66 117.46 114.95 1nku n PHE 60 Ca -0.09 -0.73 0.04 0.00 -0.05 0.00 0.00 57.45 56.62 1nku n PHE 60 Cb 0.73 -0.18 0.21 0.00 -0.94 0.00 0.00 39.48 39.30 1nku n PHE 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1nku h HIS 61 N 1.64 1.12 -0.28 1.38 3.86 0.52 0.32 115.15 123.72 1nku h HIS 61 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1nku h HIS 61 Cb 1.10 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1nku h HIS 61 CO 0.34 0.58 0.00 1.04 0.86 0.00 0.00 177.93 180.74 1nku n GLN 62 N -4.50 1.76 -0.23 2.45 6.02 -1.26 -4.48 117.38 117.13 1nku n GLN 62 Ca 0.15 -1.16 -0.01 0.00 -0.01 0.00 0.00 57.00 55.97 1nku n GLN 62 Cb 0.20 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 1nku n GLN 62 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1nku n PHE 63 N 0.42 0.00 -1.38 1.08 -1.74 0.10 -4.77 117.46 111.17 1nku n PHE 63 Ca 0.13 -0.43 -0.40 0.00 -0.56 0.00 0.00 57.45 56.19 1nku n PHE 63 Cb 0.30 -0.45 0.01 0.00 1.52 0.00 0.00 39.48 40.86 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1nku n ASP 64 N 2.00 -1.98 -0.24 5.98 8.00 -1.26 -4.16 116.55 124.89 1nku n ASP 64 Ca 0.03 0.80 -0.03 0.00 0.71 0.00 0.00 54.79 56.30 1nku n ASP 64 Cb 0.23 -1.01 0.03 0.00 -0.02 0.00 0.00 41.12 40.34 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 0.39 -0.10 -0.34 -0.24 0.11 -1.98 0.62 132.00 130.46 1nku h PRO 65 Ca -0.41 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 1nku h PRO 65 Cb 1.42 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.54 1nku h PRO 65 CO 0.47 -0.07 0.02 0.28 -0.21 0.00 0.00 178.00 178.50 1nku h VAL 66 N -0.10 1.25 -0.75 3.15 2.07 -1.97 -1.28 116.25 118.62 1nku h VAL 66 Ca 0.28 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1nku h VAL 66 Cb 0.56 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1nku h VAL 66 CO -0.74 0.30 0.29 0.11 0.02 0.00 0.00 177.57 177.55 1nku h LYS 67 N 0.40 1.13 -0.37 1.57 1.57 -1.52 -0.59 116.57 118.75 1nku h LYS 67 Ca 0.10 -0.21 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 1nku h LYS 67 Cb 0.41 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1nku h LYS 67 CO 0.01 0.93 -0.41 -0.24 -0.57 0.00 0.00 179.45 179.18 1nku h VAL 68 N 1.08 1.27 -0.22 0.50 3.04 0.32 -1.48 116.25 120.76 1nku h VAL 68 Ca 0.25 -1.58 -0.10 0.00 -1.01 0.00 0.00 66.70 64.26 1nku h VAL 68 Cb 0.23 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1nku h VAL 68 CO -0.02 0.53 -0.30 0.00 -1.01 0.00 0.00 177.57 176.77 1nku h ALA 69 N 0.76 1.08 0.00 3.17 0.00 -1.07 -0.63 119.26 122.57 1nku h ALA 69 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nku h ALA 69 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1nku h ALA 69 CO 0.10 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1nku n ALA 70 N -2.49 2.19 -1.48 0.00 0.00 -0.25 -4.84 120.51 113.65 1nku n ALA 70 Ca -0.01 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 1nku n ALA 70 Cb 0.43 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.54 1nku n ALA 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1nku n MET 71 N -1.36 0.61 -4.37 0.00 1.56 -0.25 -5.01 117.12 108.31 1nku n MET 71 Ca 0.10 0.25 -0.25 0.00 -0.27 0.00 0.00 57.70 57.53 1nku n MET 71 Cb 0.22 -1.97 -0.09 0.00 2.15 0.00 0.00 33.22 33.53 1nku n MET 71 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 1nku s GLN 72 N -2.65 2.03 0.47 2.12 -2.07 -1.26 -5.02 119.66 113.28 1nku s GLN 72 Ca 0.72 -1.76 0.12 0.00 -1.82 0.00 0.00 55.36 52.62 1nku s GLN 72 Cb -0.40 -1.90 1.09 0.00 -1.09 0.00 0.00 33.01 30.71 1nku s GLN 72 CO 0.51 0.16 2.10 0.93 -1.32 0.00 0.00 175.29 177.67 1nku h GLU 73 N 1.87 0.25 -0.87 9.60 4.39 -2.01 -1.40 114.58 126.40 1nku h GLU 73 Ca -0.43 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.35 1nku h GLU 73 Cb 1.25 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 1nku h GLU 73 CO 0.67 0.16 0.56 1.49 -1.16 0.00 0.00 179.01 180.73 1nku h GLU 74 N 0.25 0.85 -0.79 2.33 4.81 -2.01 0.58 114.58 120.61 1nku h GLU 74 Ca 0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1nku h GLU 74 Cb 0.00 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1nku h GLU 74 CO -0.02 0.56 0.43 -0.44 -0.73 0.00 0.00 179.01 178.82 1nku h ASP 75 N 0.88 0.98 -0.80 1.04 3.32 -1.66 -2.16 116.42 118.03 1nku h ASP 75 Ca 0.40 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 1nku h ASP 75 Cb 0.37 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1nku h ASP 75 CO -0.16 0.79 0.36 0.58 -1.72 0.00 0.00 179.24 179.09 1nku h VAL 76 N 1.11 1.26 -0.79 -1.35 2.07 -0.91 -1.64 116.25 115.99 1nku h VAL 76 Ca 0.28 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1nku h VAL 76 Cb 0.02 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 1nku h VAL 76 CO -0.05 0.32 0.51 -0.33 0.02 0.00 0.00 177.57 178.05 1nku h GLU 77 N 1.16 1.05 -0.36 1.57 5.08 -0.88 0.22 114.58 122.42 1nku h GLU 77 Ca 0.28 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1nku h GLU 77 Cb 0.16 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1nku h GLU 77 CO -0.03 0.71 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.46 1nku h ARG 78 N 1.08 0.73 0.00 2.33 2.43 -1.24 -2.98 114.38 116.73 1nku h ARG 78 Ca 0.29 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1nku h ARG 78 Cb -0.10 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1nku h ARG 78 CO -0.06 0.91 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.93 1nku h LEU 79 N 0.52 0.00 -1.47 3.80 3.38 -0.88 -2.84 115.31 117.82 1nku h LEU 79 Ca 0.08 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.29 1nku h LEU 79 Cb 0.67 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1nku h LEU 79 CO 0.05 0.31 0.64 0.58 0.09 0.00 0.00 178.44 180.11 1nku h VAL 80 N 0.00 0.60 -1.00 1.22 2.07 -0.42 1.24 116.25 119.96 1nku h VAL 80 Ca -0.00 -0.13 -0.68 0.00 0.82 0.00 0.00 66.70 66.71 1nku h VAL 80 Cb 0.76 0.18 -0.30 0.00 -1.52 0.00 0.00 31.29 30.41 1nku h VAL 80 CO 0.04 0.07 0.81 1.67 0.02 0.00 0.00 177.57 180.18 1nku n GLN 81 N -4.54 2.73 -0.62 1.57 7.27 -1.07 -4.78 117.38 117.94 1nku n GLN 81 Ca 0.22 -3.33 -0.30 0.00 0.07 0.00 0.00 57.00 53.66 1nku n GLN 81 Cb 0.81 -2.29 0.18 0.00 2.41 0.00 0.00 30.24 31.35 1nku n GLN 81 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1nku n ASP 82 N -0.91 -2.52 -0.27 1.69 2.03 0.43 -4.78 116.55 112.22 1nku n ASP 82 Ca 0.62 -0.21 0.24 0.00 0.52 0.00 0.00 54.79 55.97 1nku n ASP 82 Cb 0.67 -0.94 0.58 0.00 -0.72 0.00 0.00 41.12 40.71 1nku n ASP 82 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nku h ALA 83 N -2.26 2.46 0.00 -1.67 0.00 -1.94 -3.42 119.26 112.43 1nku h ALA 83 Ca -0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nku h ALA 83 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nku h ALA 83 CO 0.35 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 179.22 1nku n GLY 84 N -1.57 0.00 0.16 0.00 0.00 -1.26 -5.15 105.19 97.37 1nku n GLY 84 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 1nku n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nku n ILE 85 N 0.00 0.00 -2.01 -0.61 -5.35 -1.26 -4.79 119.36 105.34 1nku n ILE 85 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 1nku n ILE 85 Cb 0.00 -0.04 -0.02 0.00 -1.74 0.00 0.00 39.64 37.84 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 -0.78 2.58 -0.18 7.28 1.01 -1.26 -4.98 121.20 124.87 1nku s ILE 86 Ca 0.02 0.53 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 1nku s ILE 86 Cb -0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1nku s ILE 86 CO 0.02 0.10 0.05 0.00 0.00 0.00 0.00 174.94 175.11 1nku s ARG 87 N -0.96 3.92 0.00 2.79 1.70 -1.26 -5.01 118.95 120.12 1nku s ARG 87 Ca 0.56 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 1nku s ARG 87 Cb -0.42 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 30.78 1nku s ARG 87 CO 0.48 0.24 0.00 0.72 -1.08 0.00 0.00 175.30 175.67 1nku n HIS 88 N 3.61 0.00 -0.39 5.89 8.25 -1.26 -5.00 115.22 126.32 1nku n HIS 88 Ca -0.17 0.00 0.32 0.00 -0.26 0.00 0.00 57.72 57.61 1nku n HIS 88 Cb 0.52 0.00 0.62 0.00 1.12 0.00 0.00 29.99 32.25 1nku n HIS 88 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1nku h ARG 89 N 0.00 0.18 -0.46 -0.41 0.11 -1.94 0.47 114.38 112.33 1nku h ARG 89 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1nku h ARG 89 Cb 0.00 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 1nku h ARG 89 CO 0.00 0.12 0.24 0.78 0.10 0.00 0.00 179.97 181.22 1nku h GLY 90 N 0.19 0.69 0.96 0.08 0.00 -1.99 -1.56 103.07 101.43 1nku h GLY 90 Ca 0.69 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1nku h GLY 90 CO -0.27 0.31 0.17 1.70 0.00 0.00 0.00 176.54 178.45 1nku h LYS 91 N 0.60 0.43 -0.74 4.80 3.64 -0.46 -1.41 116.57 123.42 1nku h LYS 91 Ca 0.16 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1nku h LYS 91 Cb 0.07 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1nku h LYS 91 CO -0.02 0.36 0.47 0.82 -2.27 0.00 0.00 179.45 178.81 1nku h ILE 92 N 0.38 1.11 -0.36 2.00 2.04 -1.26 -1.27 117.51 120.14 1nku h ILE 92 Ca 0.11 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1nku h ILE 92 Cb 0.06 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1nku h ILE 92 CO -0.02 0.17 0.07 -0.61 0.00 0.00 0.00 178.15 177.76 1nku h GLN 93 N 0.92 0.54 -0.41 2.37 4.15 -0.90 -2.62 115.11 119.15 1nku h GLN 93 Ca 0.30 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.65 1nku h GLN 93 Cb 0.01 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1nku h GLN 93 CO -0.11 0.51 0.21 0.00 -1.93 0.00 0.00 178.83 177.51 1nku h ALA 94 N 1.55 0.51 -0.25 3.38 0.00 -0.13 0.10 119.26 124.43 1nku h ALA 94 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1nku h ALA 94 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1nku h ALA 94 CO -0.00 -0.15 0.14 0.82 0.00 0.00 0.00 179.25 180.06 1nku h ILE 95 N 0.42 1.03 -0.87 0.00 2.04 -1.28 -0.42 117.51 118.42 1nku h ILE 95 Ca 0.18 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1nku h ILE 95 Cb 0.08 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1nku h ILE 95 CO -0.12 0.05 0.56 0.40 0.00 0.00 0.00 178.15 179.04 1nku h ILE 96 N 0.30 1.13 -0.48 -0.67 2.04 -1.19 -2.52 117.51 116.12 1nku h ILE 96 Ca 0.10 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1nku h ILE 96 Cb -0.00 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1nku h ILE 96 CO -0.05 0.20 0.05 1.23 0.00 0.00 0.00 178.15 179.58 1nku h GLY 97 N 1.08 0.87 0.80 5.37 0.00 -0.15 -2.59 103.07 108.47 1nku h GLY 97 Ca 0.35 -0.61 0.06 0.00 0.00 0.00 0.00 47.33 47.13 1nku h GLY 97 CO -0.12 0.56 0.64 3.43 0.00 0.00 0.00 176.54 181.05 1nku h ASN 98 N 0.67 1.03 -0.41 0.19 -0.26 -0.67 -0.68 115.58 115.46 1nku h ASN 98 Ca 0.14 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.78 1nku h ASN 98 Cb 0.44 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1nku h ASN 98 CO 0.02 0.67 -0.15 0.00 -1.06 0.00 0.00 177.43 176.91 1nku h ALA 99 N 1.46 0.57 -0.88 -0.83 0.00 -1.34 0.37 119.26 118.61 1nku h ALA 99 Ca 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nku h ALA 99 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1nku h ALA 99 CO -0.15 0.49 0.55 0.00 0.00 0.00 0.00 179.25 180.13 1nku h ARG 100 N 0.64 1.18 -0.16 0.00 3.08 -0.96 0.86 114.38 119.02 1nku h ARG 100 Ca 0.10 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1nku h ARG 100 Cb 0.69 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1nku h ARG 100 CO 0.05 0.81 -0.74 0.00 -1.07 0.00 0.00 179.97 179.02 1nku h ALA 101 N 1.30 0.38 -0.62 0.04 0.00 -0.92 -2.69 119.26 116.75 1nku h ALA 101 Ca 0.32 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nku h ALA 101 Cb -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1nku h ALA 101 CO -0.06 0.70 0.37 -0.92 0.00 0.00 0.00 179.25 179.33 1nku h TYR 102 N 0.52 0.82 -0.47 0.00 5.03 0.36 -1.99 116.97 121.24 1nku h TYR 102 Ca -0.04 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.20 1nku h TYR 102 Cb 1.36 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.35 1nku h TYR 102 CO 0.08 0.56 0.04 -0.07 -1.32 0.00 0.00 178.16 177.45 1nku h LEU 103 N 0.83 0.77 -0.99 2.82 -0.00 -0.84 -2.63 115.31 115.27 1nku h LEU 103 Ca 0.22 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1nku h LEU 103 Cb -0.02 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.39 1nku h LEU 103 CO -0.04 0.86 0.61 -0.61 -0.00 0.00 0.00 178.44 179.26 1nku h GLN 104 N 0.65 1.30 -0.79 1.13 4.15 -1.20 -1.95 115.11 118.40 1nku h GLN 104 Ca 0.14 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1nku h GLN 104 Cb 0.44 -0.28 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 1nku h GLN 104 CO 0.02 0.88 0.37 1.98 -1.93 0.00 0.00 178.83 180.15 1nku h MET 105 N 1.33 1.13 0.00 1.69 4.05 -1.15 -1.89 114.93 120.09 1nku h MET 105 Ca 0.35 -0.16 -0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1nku h MET 105 Cb -0.10 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.48 1nku h MET 105 CO -0.07 0.87 -0.22 1.49 0.23 0.00 0.00 176.91 179.22 1nku h GLU 106 N 1.12 0.00 -0.73 0.39 4.57 -1.00 -2.28 114.58 116.64 1nku h GLU 106 Ca 0.27 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.63 1nku h GLU 106 Cb 0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1nku h GLU 106 CO -0.03 0.22 0.51 1.96 -1.18 0.00 0.00 179.01 180.48 1nku h GLN 107 N 0.00 0.19 -0.01 1.92 4.20 -0.94 1.21 115.11 121.68 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1nku h GLN 107 Cb 0.40 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1nku h GLN 107 CO 0.03 0.12 -0.05 0.09 -0.67 0.00 0.00 178.83 178.35 1nku n ASN 108 N -4.41 0.61 -1.26 1.46 5.03 -0.86 -4.90 115.26 110.94 1nku n ASN 108 Ca 0.14 -0.94 -0.09 0.00 0.87 0.00 0.00 54.58 54.57 1nku n ASN 108 Cb 0.67 -0.03 0.01 0.00 -1.02 0.00 0.00 39.78 39.41 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 1.17 0.13 3.19 7.41 0.00 0.42 -5.00 105.19 112.51 1nku n GLY 109 Ca 0.18 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.82 2.32 0.21 1.61 8.01 -1.24 -5.05 118.70 119.74 1nku s GLU 110 Ca 0.09 -1.64 -0.32 0.00 0.01 0.00 0.00 54.97 53.11 1nku s GLU 110 Cb -0.04 -3.66 -0.14 0.00 -4.31 0.00 0.00 34.13 25.98 1nku s GLU 110 CO 0.11 -1.01 1.35 -2.30 0.01 0.00 0.00 175.26 173.42 1nku n PRO 111 N 4.75 1.78 -0.19 0.39 -0.02 -1.26 -4.56 135.00 135.89 1nku n PRO 111 Ca -0.07 0.63 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1nku n PRO 111 Cb 0.42 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 4.10 0.80 -0.19 6.00 3.57 -1.96 -2.01 116.94 127.25 1nku h PHE 112 Ca -0.45 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1nku h PHE 112 Cb 1.29 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1nku h PHE 112 CO 0.56 0.63 0.08 0.00 -2.23 0.00 0.00 178.31 177.35 1nku h ALA 113 N 1.09 0.25 -0.44 2.41 0.00 -1.90 -2.53 119.26 118.14 1nku h ALA 113 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nku h ALA 113 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1nku h ALA 113 CO -0.02 -0.16 0.26 -0.44 0.00 0.00 0.00 179.25 178.88 1nku h ASP 114 N 0.16 0.52 -0.31 0.00 3.32 -1.91 -2.03 116.42 116.17 1nku h ASP 114 Ca 0.06 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1nku h ASP 114 Cb 0.17 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1nku h ASP 114 CO -0.01 0.41 0.10 0.15 -1.72 0.00 0.00 179.24 178.17 1nku h PHE 115 N 0.60 0.18 -0.22 4.55 3.57 -0.94 0.74 116.94 125.41 1nku h PHE 115 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1nku h PHE 115 Cb -0.01 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1nku h PHE 115 CO 0.00 0.08 0.06 0.28 -2.23 0.00 0.00 178.31 176.50 1nku h VAL 116 N 0.23 1.20 -0.34 1.41 2.07 -1.19 -2.54 116.25 117.10 1nku h VAL 116 Ca 0.14 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1nku h VAL 116 Cb 0.11 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1nku h VAL 116 CO -0.15 0.21 0.09 -0.50 0.02 0.00 0.00 177.57 177.24 1nku h TRP 117 N 0.18 0.49 -0.70 1.57 4.06 -0.90 -2.09 115.95 118.56 1nku h TRP 117 Ca 0.07 -0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.02 1nku h TRP 117 Cb 0.26 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.23 1nku h TRP 117 CO 0.01 0.43 0.47 0.66 -3.56 0.00 0.00 178.44 176.44 1nku h SER 118 N 0.48 0.77 0.07 -3.49 4.64 0.90 0.23 113.55 117.15 1nku h SER 118 Ca 0.12 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 1nku h SER 118 Cb 0.18 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1nku h SER 118 CO -0.00 0.54 -0.34 -0.26 -0.87 0.00 0.00 176.83 175.89 1nku h PHE 119 N 0.90 0.44 -0.47 4.77 0.04 -1.17 -2.55 116.94 118.90 1nku h PHE 119 Ca 0.27 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1nku h PHE 119 Cb -0.01 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1nku h PHE 119 CO -0.00 0.68 0.00 1.55 -0.60 0.00 0.00 178.31 179.94 1nku n VAL 120 N -4.07 1.64 -3.69 -0.55 3.14 -0.62 -4.89 118.33 109.29 1nku n VAL 120 Ca -0.01 -0.94 -0.27 0.00 -2.96 0.00 0.00 64.34 60.16 1nku n VAL 120 Cb 0.45 -0.12 0.05 0.00 -1.06 0.00 0.00 33.84 33.16 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1nku n ASN 121 N 0.67 -5.50 -2.76 6.55 5.03 -0.62 -1.01 115.26 117.62 1nku n ASN 121 Ca 0.20 -0.62 -0.10 0.00 0.87 0.00 0.00 54.58 54.93 1nku n ASN 121 Cb 0.80 -4.37 -0.01 0.00 -1.02 0.00 0.00 39.78 35.18 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1nku n HIS 122 N -4.76 -1.74 -4.00 3.10 -0.00 0.71 -4.87 115.22 103.67 1nku n HIS 122 Ca 0.01 0.12 -0.31 0.00 0.46 0.00 0.00 57.72 58.00 1nku n HIS 122 Cb 0.55 -1.81 -0.15 0.00 -0.12 0.00 0.00 29.99 28.46 1nku n HIS 122 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1nku s GLN 123 N -5.32 1.60 0.39 1.57 0.74 -0.18 -5.10 119.66 113.36 1nku s GLN 123 Ca 0.12 -2.01 -0.24 0.00 0.05 0.00 0.00 55.36 53.27 1nku s GLN 123 Cb -0.07 -3.25 -0.12 0.00 1.10 0.00 0.00 33.01 30.67 1nku s GLN 123 CO 0.15 -0.98 0.81 -2.30 -0.55 0.00 0.00 175.29 172.42 1nku n PRO 124 N 4.06 0.97 -4.64 1.67 -0.02 -1.26 -4.95 135.00 130.84 1nku n PRO 124 Ca 0.04 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.53 1nku n PRO 124 Cb 0.40 -1.75 -0.12 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.72 2.85 0.10 -0.52 -1.52 0.27 -5.03 119.66 114.10 1nku s GLN 125 Ca 0.63 -0.57 0.04 0.00 -1.95 0.00 0.00 55.36 53.51 1nku s GLN 125 Cb -0.62 -2.61 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 1nku s GLN 125 CO 0.58 0.59 -0.10 0.00 -0.25 0.00 0.00 175.29 176.11 1nku s MET 126 N -0.62 0.88 0.10 2.91 0.23 -1.26 -1.91 119.30 119.63 1nku s MET 126 Ca 0.09 -1.21 0.07 0.00 -1.03 0.00 0.00 55.69 53.61 1nku s MET 126 Cb -0.12 -0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 32.63 1nku s MET 126 CO 0.02 0.07 -0.09 -0.08 -2.03 0.00 0.00 175.02 172.91 1nku s THR 127 N -2.66 3.41 -0.41 3.16 -1.32 -1.09 -4.88 115.64 111.85 1nku s THR 127 Ca 0.08 -1.25 0.10 0.00 -1.21 0.00 0.00 61.69 59.41 1nku s THR 127 Cb -0.01 -2.59 0.41 0.00 -1.51 0.00 0.00 72.50 68.80 1nku s THR 127 CO -0.00 0.12 0.98 0.00 -2.21 0.00 0.00 174.62 173.51 1nku n GLN 128 N 0.71 2.29 -2.59 7.08 6.02 -1.26 -4.94 117.38 124.68 1nku n GLN 128 Ca -0.13 -3.98 -0.14 0.00 -0.01 0.00 0.00 57.00 52.74 1nku n GLN 128 Cb 0.52 -1.83 0.02 0.00 1.02 0.00 0.00 30.24 29.97 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nku n ALA 129 N -0.20 0.62 -0.04 -1.58 0.00 -1.26 -5.05 120.51 113.00 1nku n ALA 129 Ca 0.26 -1.31 0.02 0.00 0.00 0.00 0.00 53.44 52.40 1nku n ALA 129 Cb 0.68 0.46 -0.12 0.00 0.00 0.00 0.00 19.45 20.46 1nku n ALA 129 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nku n THR 130 N -1.50 0.44 -4.22 0.00 -1.04 -1.26 -3.94 114.28 102.76 1nku n THR 130 Ca 0.04 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.05 61.43 1nku n THR 130 Cb 0.37 -0.18 -0.10 0.00 -1.82 0.00 0.00 70.33 68.60 1nku n THR 130 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1nku s THR 131 N -2.81 0.56 0.36 12.58 -1.32 -1.26 -4.60 115.64 119.16 1nku s THR 131 Ca -0.07 -1.97 0.11 0.00 -1.21 0.00 0.00 61.69 58.56 1nku s THR 131 Cb 0.08 -2.11 0.09 0.00 -1.51 0.00 0.00 72.50 69.05 1nku s THR 131 CO 0.65 -0.47 1.82 -0.07 -2.21 0.00 0.00 174.62 174.34 1nku h LEU 132 N 2.72 0.06 -1.02 9.08 4.07 -1.94 -2.89 115.31 125.39 1nku h LEU 132 Ca -0.36 -0.02 0.12 0.00 0.08 0.00 0.00 57.88 57.70 1nku h LEU 132 Cb 1.20 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.84 1nku h LEU 132 CO 0.62 0.41 0.63 0.28 -1.08 0.00 0.00 178.44 179.30 1nku h SER 133 N 0.05 0.92 0.02 -0.43 0.02 -1.99 0.14 113.55 112.28 1nku h SER 133 Ca 0.00 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1nku h SER 133 Cb 0.65 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1nku h SER 133 CO 0.05 0.48 -0.15 -0.33 -1.14 0.00 0.00 176.83 175.74 1nku h GLU 134 N 0.98 0.27 -6.28 3.45 4.39 -1.93 -3.41 114.58 112.05 1nku h GLU 134 Ca 0.50 -0.07 -0.55 0.00 0.34 0.00 0.00 59.36 59.58 1nku h GLU 134 Cb 0.50 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1nku h GLU 134 CO -0.26 0.42 1.02 0.42 -1.16 0.00 0.00 179.01 179.45 1nku s ILE 135 N -4.68 3.65 0.27 3.13 1.09 0.49 -4.97 121.20 120.17 1nku s ILE 135 Ca -0.06 0.85 -0.30 0.00 -1.10 0.00 0.00 60.65 60.05 1nku s ILE 135 Cb 0.15 -3.55 -0.09 0.00 -1.06 0.00 0.00 42.46 37.91 1nku s ILE 135 CO 0.74 -0.06 1.05 -2.16 -0.10 0.00 0.00 174.94 174.41 1nku s PRO 136 N 3.63 4.71 0.00 2.79 0.04 -1.26 -4.94 135.00 139.97 1nku s PRO 136 Ca 0.70 1.70 0.27 0.00 0.04 0.00 0.00 61.00 63.70 1nku s PRO 136 Cb -0.32 -3.22 0.91 0.00 0.04 0.00 0.00 34.50 31.91 1nku s PRO 136 CO 0.27 0.32 1.66 -2.37 0.04 0.00 0.00 177.00 176.92 1nku n THR 137 N 1.29 0.03 -3.57 1.26 5.66 -1.26 -4.50 114.28 113.18 1nku n THR 137 Ca -0.01 -0.30 -0.28 0.00 -3.05 0.00 0.00 64.05 60.41 1nku n THR 137 Cb 0.45 0.62 -0.11 0.00 -1.55 0.00 0.00 70.33 69.75 1nku n THR 137 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1nku s SER 138 N -1.96 2.66 0.50 1.09 0.01 -1.26 -4.88 113.70 109.86 1nku s SER 138 Ca 0.36 -3.24 -0.06 0.00 1.31 0.00 0.00 55.95 54.32 1nku s SER 138 Cb 0.21 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.56 1nku s SER 138 CO 0.32 -0.16 0.81 0.42 0.41 0.00 0.00 173.24 175.05 1nku s THR 139 N -0.34 4.88 0.35 1.44 -4.23 -1.26 -4.88 115.64 111.58 1nku s THR 139 Ca 0.29 0.27 0.11 0.00 -1.18 0.00 0.00 61.69 61.19 1nku s THR 139 Cb -0.02 -3.86 0.34 0.00 1.34 0.00 0.00 72.50 70.30 1nku s THR 139 CO -0.17 -0.88 1.77 -0.65 -0.54 0.00 0.00 174.62 174.15 1nku h PRO 140 N 0.16 0.57 -0.18 3.99 0.11 -2.00 -0.64 132.00 134.01 1nku h PRO 140 Ca -0.47 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 1nku h PRO 140 Cb 1.20 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.19 1nku h PRO 140 CO 0.62 0.38 -0.65 0.00 -0.21 0.00 0.00 178.00 178.14 1nku h ALA 141 N 1.65 0.32 -0.74 -0.75 0.00 -1.92 -2.99 119.26 114.83 1nku h ALA 141 Ca 0.59 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 141 Cb 1.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1nku h ALA 141 CO -0.36 0.61 0.48 0.77 0.00 0.00 0.00 179.25 180.75 1nku h SER 142 N 0.48 0.86 -0.37 0.00 0.02 -1.51 0.67 113.55 113.70 1nku h SER 142 Ca -0.03 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1nku h SER 142 Cb 1.27 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1nku h SER 142 CO 0.14 0.63 0.19 -0.78 -1.14 0.00 0.00 176.83 175.87 1nku h ASP 143 N 1.01 0.46 0.03 3.07 3.58 -1.39 -2.28 116.42 120.90 1nku h ASP 143 Ca 0.27 -0.10 -0.21 0.00 0.42 0.00 0.00 57.03 57.41 1nku h ASP 143 Cb -0.10 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1nku h ASP 143 CO -0.06 0.43 -0.75 0.00 -2.88 0.00 0.00 179.24 175.98 1nku h ALA 144 N 1.05 0.44 -0.25 -0.78 0.00 -1.31 -2.91 119.26 115.50 1nku h ALA 144 Ca 0.13 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1nku h ALA 144 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1nku h ALA 144 CO -0.02 0.72 0.01 1.25 0.00 0.00 0.00 179.25 181.21 1nku h LEU 145 N 0.43 -0.07 -0.93 0.00 5.85 0.54 0.16 115.31 121.27 1nku h LEU 145 Ca -0.04 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1nku h LEU 145 Cb 1.36 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1nku h LEU 145 CO 0.14 -0.01 0.07 0.77 -0.34 0.00 0.00 178.44 179.08 1nku h SER 146 N 0.09 0.81 -0.69 1.25 4.64 -1.46 -1.29 113.55 116.89 1nku h SER 146 Ca 0.12 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1nku h SER 146 Cb 0.14 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1nku h SER 146 CO -0.19 0.83 0.17 0.50 -0.87 0.00 0.00 176.83 177.27 1nku h LYS 147 N 0.81 1.11 0.02 4.77 3.64 -1.12 0.30 116.57 126.09 1nku h LYS 147 Ca 0.17 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1nku h LYS 147 Cb 0.39 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1nku h LYS 147 CO 0.01 0.98 -0.01 0.00 -2.27 0.00 0.00 179.45 178.16 1nku h ALA 148 N 1.12 -0.02 -0.47 5.00 0.00 -0.27 -2.37 119.26 122.25 1nku h ALA 148 Ca 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 148 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nku h ALA 148 CO 0.00 -0.31 0.04 -0.07 0.00 0.00 0.00 179.25 178.91 1nku h LEU 149 N -0.43 0.72 -1.18 0.00 3.38 -1.17 -2.23 115.31 114.39 1nku h LEU 149 Ca -0.00 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1nku h LEU 149 Cb 0.42 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1nku h LEU 149 CO 0.00 0.76 0.57 0.50 0.09 0.00 0.00 178.44 180.36 1nku h LYS 150 N 0.72 1.02 -0.79 1.13 3.64 -0.31 -1.18 116.57 120.79 1nku h LYS 150 Ca 0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1nku h LYS 150 Cb 0.38 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1nku h LYS 150 CO 0.01 0.68 0.46 -0.22 -2.27 0.00 0.00 179.45 178.11 1nku h LYS 151 N 1.05 1.07 0.00 1.90 3.64 -0.85 -0.59 116.57 122.79 1nku h LYS 151 Ca 0.35 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1nku h LYS 151 Cb 0.06 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1nku h LYS 151 CO -0.11 0.76 -0.01 0.00 -2.27 0.00 0.00 179.45 177.82 1nku h ARG 152 N 1.09 0.00 -0.04 1.90 2.47 -1.14 -3.45 114.38 115.21 1nku h ARG 152 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 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 0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.90 1nku n GLY 153 N -0.67 1.52 3.75 0.04 0.00 -0.23 -4.93 105.19 104.67 1nku n GLY 153 Ca -0.02 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.04 3.69 0.36 1.61 0.40 -1.20 -4.93 117.98 115.88 1nku s PHE 154 Ca 0.00 1.30 -0.00 0.00 -0.60 0.00 0.00 56.93 57.62 1nku s PHE 154 Cb 0.00 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.80 1nku s PHE 154 CO 0.00 0.31 0.57 0.15 0.70 0.00 0.00 175.22 176.95 1nku s LYS 155 N -0.09 3.49 -1.34 0.44 1.02 -1.26 -4.29 119.74 117.72 1nku s LYS 155 Ca 0.34 -0.27 -0.06 0.00 0.02 0.00 0.00 55.97 55.99 1nku s LYS 155 Cb -0.19 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 1nku s LYS 155 CO 0.19 0.12 1.02 1.19 -0.92 0.00 0.00 175.35 176.95 1nku n PHE 156 N -1.81 -2.44 -1.28 3.18 3.72 -1.26 -4.88 117.46 112.69 1nku n PHE 156 Ca -0.04 0.95 0.05 0.00 -0.05 0.00 0.00 57.45 58.36 1nku n PHE 156 Cb 0.56 -4.75 0.19 0.00 -0.94 0.00 0.00 39.48 34.54 1nku n PHE 156 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1nku n VAL 157 N -4.60 2.20 -0.87 -4.37 3.14 -1.26 -4.33 118.33 108.24 1nku n VAL 157 Ca -0.11 -2.55 -0.34 0.00 -2.96 0.00 0.00 64.34 58.37 1nku n VAL 157 Cb 0.60 -0.26 0.09 0.00 -1.06 0.00 0.00 33.84 33.21 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nku n GLY 158 N -1.11 -3.09 0.39 7.55 0.00 -1.26 -4.47 105.19 103.20 1nku n GLY 158 Ca 0.22 -0.75 0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.36 0.76 -0.68 2.61 2.02 -1.96 0.53 112.91 114.84 1nku h THR 159 Ca -0.44 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 1nku h THR 159 Cb 1.30 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1nku h THR 159 CO 0.30 0.05 0.18 0.71 0.37 0.00 0.00 175.52 177.13 1nku h THR 160 N 0.29 1.26 -0.56 3.16 1.35 -1.91 -1.11 112.91 115.39 1nku h THR 160 Ca 0.35 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 65.21 1nku h THR 160 Cb 0.95 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1nku h THR 160 CO -0.09 0.35 0.03 0.40 -0.25 0.00 0.00 175.52 175.97 1nku h ILE 161 N 1.00 1.25 -0.47 6.82 5.03 -1.18 -1.99 117.51 127.97 1nku h ILE 161 Ca 0.21 -1.04 -0.08 0.00 -0.12 0.00 0.00 64.86 63.84 1nku h ILE 161 Cb 0.34 0.79 -0.02 0.00 -3.03 0.00 0.00 36.82 34.90 1nku h ILE 161 CO -0.00 0.38 -0.00 0.00 -0.68 0.00 0.00 178.15 177.84 1nku h TYR 163 N 0.69 1.03 -0.88 0.00 3.20 -0.93 -1.54 116.97 118.53 1nku h TYR 163 Ca 0.13 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1nku h TYR 163 Cb 0.51 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 1nku h TYR 163 CO 0.04 0.68 0.58 1.03 -1.64 0.00 0.00 178.16 178.85 1nku h SER 164 N 1.07 0.98 -0.66 -2.11 0.87 -1.12 -1.70 113.55 110.88 1nku h SER 164 Ca 0.28 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1nku h SER 164 Cb -0.06 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 1nku h SER 164 CO -0.05 0.69 0.39 0.15 -0.53 0.00 0.00 176.83 177.48 1nku h PHE 165 N 1.14 0.88 -0.77 2.24 3.57 -0.85 -2.16 116.94 121.00 1nku h PHE 165 Ca 0.34 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1nku h PHE 165 Cb -0.05 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.36 1nku h PHE 165 CO -0.00 0.60 0.39 0.52 -2.23 0.00 0.00 178.31 177.59 1nku h MET 166 N 0.90 1.08 -0.56 1.11 2.86 -0.78 0.30 114.93 119.84 1nku h MET 166 Ca 0.24 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1nku h MET 166 Cb -0.01 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1nku h MET 166 CO -0.04 0.82 0.17 1.96 1.06 0.00 0.00 176.91 180.88 1nku h GLN 167 N 1.08 0.88 0.00 1.72 4.20 -0.80 -2.10 115.11 120.09 1nku h GLN 167 Ca 0.27 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1nku h GLN 167 Cb 0.07 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1nku h GLN 167 CO -0.04 0.80 -0.05 0.00 -0.67 0.00 0.00 178.83 178.87 1nku h ALA 168 N 1.04 0.01 -0.74 3.87 0.00 -1.06 -0.80 119.26 121.58 1nku h ALA 168 Ca 0.18 -0.47 0.18 0.00 0.00 0.00 0.00 54.91 54.80 1nku h ALA 168 Cb 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1nku h ALA 168 CO -0.00 0.03 0.51 0.00 0.00 0.00 0.00 179.25 179.78 1nku n GLY 170 N -1.59 0.44 0.33 0.00 0.00 -0.83 -0.51 105.19 103.04 1nku n GLY 170 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 -8.42 0.99 4.07 -1.83 -3.39 115.31 107.32 1nku h LEU 171 Ca 0.00 -0.01 -0.67 0.00 0.08 0.00 0.00 57.88 57.28 1nku h LEU 171 Cb 0.00 -0.14 -0.30 0.00 1.08 0.00 0.00 40.66 41.30 1nku h LEU 171 CO 0.00 0.41 -0.82 -0.69 -1.08 0.00 0.00 178.44 176.26 1nku s VAL 172 N -5.60 2.54 -0.45 1.22 1.01 -0.97 0.97 120.40 119.12 1nku s VAL 172 Ca -0.09 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1nku s VAL 172 Cb 0.18 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.62 1nku s VAL 172 CO 0.75 0.53 0.31 0.20 0.00 0.00 0.00 175.10 176.90 1nku s ASN 173 N 0.53 5.72 -0.50 3.32 0.01 -0.80 -4.29 114.94 118.92 1nku s ASN 173 Ca -0.11 -1.66 0.04 0.00 -0.71 0.00 0.00 52.86 50.41 1nku s ASN 173 Cb -0.16 -2.02 0.13 0.00 0.41 0.00 0.00 41.25 39.61 1nku s ASN 173 CO 0.04 -0.62 0.24 1.51 -1.51 0.00 0.00 177.10 176.77 1nku s ASP 174 N 2.42 4.44 0.00 -1.22 1.47 -1.26 -2.65 116.67 119.86 1nku s ASP 174 Ca 0.04 -2.88 0.00 0.00 1.18 0.00 0.00 52.55 50.89 1nku s ASP 174 Cb -0.25 -1.65 0.00 0.00 -0.34 0.00 0.00 42.92 40.68 1nku s ASP 174 CO 0.01 -0.26 0.00 1.41 0.68 0.00 0.00 175.17 177.01 1nku n HIS 175 N 3.29 0.00 0.00 2.11 8.25 -1.26 -5.09 115.22 122.52 1nku n HIS 175 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1nku n HIS 175 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1nku n HIS 175 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1nku n VAL 176 N 0.00 0.00 -0.32 1.59 0.31 -1.26 -4.69 118.33 113.96 1nku n VAL 176 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1nku n VAL 176 Cb 0.00 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.11 1nku n VAL 176 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1nku h VAL 177 N 0.81 0.97 0.00 2.52 2.07 -1.81 0.25 116.25 121.06 1nku h VAL 177 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1nku h VAL 177 Cb 0.00 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1nku h VAL 177 CO 0.00 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1nku n GLY 178 N -1.33 -0.54 3.37 2.17 0.00 -1.26 -4.53 105.19 103.05 1nku n GLY 178 Ca 0.15 -0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.46 -0.09 0.00 5.04 -0.91 -4.94 117.35 119.90 1nku s TYR 182 Ca 0.00 -3.29 0.01 0.00 -2.44 0.00 0.00 57.07 51.34 1nku s TYR 182 Cb 0.00 -2.74 0.11 0.00 0.35 0.00 0.00 41.96 39.68 1nku s TYR 182 CO 0.00 -0.60 1.31 -0.35 -1.34 0.00 0.00 175.55 174.56 1nku n PRO 183 N 2.32 1.24 -1.40 4.97 -0.04 -1.26 -4.69 135.00 136.12 1nku n PRO 183 Ca 0.15 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1nku n PRO 183 Cb 0.34 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.35 0.53 3.35 0.55 0.00 -1.26 -3.66 105.19 105.05 1nku n GLY 184 Ca 0.11 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 1.75 -4.83 -3.68 1.61 5.15 -1.26 -4.96 115.26 109.04 1nku n ASN 185 Ca 0.00 -0.51 -0.28 0.00 -0.60 0.00 0.00 54.58 53.19 1nku n ASN 185 Cb 0.26 -4.66 -0.11 0.00 -0.53 0.00 0.00 39.78 34.75 1nku n ASN 185 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1nku s LYS 186 N -5.92 1.77 0.00 1.20 2.47 -1.24 -5.24 119.74 112.79 1nku s LYS 186 Ca 0.38 -2.79 0.00 0.00 -1.56 0.00 0.00 55.97 52.00 1nku s LYS 186 Cb -0.17 -2.53 0.01 0.00 -1.46 0.00 0.00 37.83 33.68 1nku s LYS 186 CO 0.66 -1.33 0.51 -2.30 0.16 0.00 0.00 175.35 173.05