#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 0.42 0.14 0.03 1.03 -1.26 -5.07 118.70 113.99 1nku s GLU 2 Ca 0.00 -0.72 0.09 0.00 0.03 0.00 0.00 54.97 54.37 1nku s GLU 2 Cb 0.00 0.15 -0.04 0.00 -0.80 0.00 0.00 34.13 33.44 1nku s GLU 2 CO 0.00 -0.08 -0.22 1.03 -1.33 0.00 0.00 175.26 174.66 1nku s ARG 3 N -2.04 1.29 0.00 -4.83 0.52 -1.26 -3.86 118.95 108.76 1nku s ARG 3 Ca -0.10 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 1nku s ARG 3 Cb -0.05 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 33.86 1nku s ARG 3 CO -0.03 0.35 0.00 0.00 0.02 0.00 0.00 175.30 175.64 1nku n GLY 5 N 0.00 1.07 1.70 0.00 0.00 -1.26 -4.63 105.19 102.07 1nku n GLY 5 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1nku n GLY 5 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1nku n TRP 6 N -0.48 -0.47 -1.71 1.61 4.27 -1.26 -4.72 117.44 114.69 1nku n TRP 6 Ca 0.00 0.00 -0.59 0.00 -3.89 0.00 0.00 57.50 53.02 1nku n TRP 6 Cb 0.00 -1.26 -0.08 0.00 -1.36 0.00 0.00 31.31 28.61 1nku n TRP 6 CO 0.00 0.00 0.00 1.33 -2.29 0.00 0.00 177.69 176.73 1nku n VAL 7 N -0.96 0.22 0.36 -1.67 0.24 -1.26 -4.85 118.33 110.41 1nku n VAL 7 Ca -0.03 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 1nku n VAL 7 Cb 0.14 -1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 31.41 1nku n VAL 7 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1nku h SER 8 N 6.50 -0.79 0.00 -1.34 0.87 -2.01 -3.45 113.55 113.33 1nku h SER 8 Ca -0.46 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.04 1nku h SER 8 Cb 1.33 0.20 -0.13 0.00 -0.44 0.00 0.00 62.40 63.37 1nku h SER 8 CO 0.95 -0.52 -0.07 1.67 -0.53 0.00 0.00 176.83 178.32 1nku n GLN 9 N -4.74 0.18 -3.67 2.24 7.27 -1.26 -5.15 117.38 112.25 1nku n GLN 9 Ca -0.12 -0.79 -0.12 0.00 0.07 0.00 0.00 57.00 56.05 1nku n GLN 9 Cb 0.37 -0.33 -0.08 0.00 2.41 0.00 0.00 30.24 32.60 1nku n GLN 9 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1nku s ASP 10 N -0.38 -0.65 0.33 1.69 2.15 -1.26 -5.04 116.67 113.50 1nku s ASP 10 Ca 0.26 1.19 0.09 0.00 0.43 0.00 0.00 52.55 54.52 1nku s ASP 10 Cb 0.21 1.16 0.56 0.00 -0.30 0.00 0.00 42.92 44.56 1nku s ASP 10 CO -0.10 -0.21 1.75 1.55 -0.17 0.00 0.00 175.17 177.99 1nku h PRO 11 N 5.76 0.15 -0.60 4.34 0.13 -2.01 -2.95 132.00 136.82 1nku h PRO 11 Ca -0.30 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1nku h PRO 11 Cb 1.18 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1nku h PRO 11 CO 0.16 0.52 0.20 -0.07 -0.23 0.00 0.00 178.00 178.58 1nku h LEU 12 N 0.12 0.83 -0.10 1.56 4.07 -1.98 0.58 115.31 120.40 1nku h LEU 12 Ca 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1nku h LEU 12 Cb 0.75 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 1nku h LEU 12 CO 0.06 0.77 0.02 0.22 -1.08 0.00 0.00 178.44 178.43 1nku h TYR 13 N 0.88 0.17 -0.23 1.13 5.03 -1.90 -0.87 116.97 121.18 1nku h TYR 13 Ca 0.20 -0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.31 1nku h TYR 13 Cb 0.23 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.46 1nku h TYR 13 CO 0.02 0.37 -0.57 0.82 -1.32 0.00 0.00 178.16 177.47 1nku h ILE 14 N -0.07 1.30 -0.34 1.81 2.04 -1.44 -0.62 117.51 120.19 1nku h ILE 14 Ca 0.03 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 1nku h ILE 14 Cb 0.29 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1nku h ILE 14 CO 0.00 0.57 0.18 0.00 0.00 0.00 0.00 178.15 178.90 1nku h ALA 15 N 0.82 0.44 -0.38 1.87 0.00 0.22 -1.89 119.26 120.34 1nku h ALA 15 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1nku h ALA 15 Cb 1.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1nku h ALA 15 CO 0.12 -0.02 -0.08 -0.92 0.00 0.00 0.00 179.25 178.35 1nku h TYR 16 N 0.42 0.69 0.19 0.00 3.20 -1.11 -1.13 116.97 119.23 1nku h TYR 16 Ca 0.12 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1nku h TYR 16 Cb 0.08 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1nku h TYR 16 CO -0.02 0.70 -0.21 1.25 -1.64 0.00 0.00 178.16 178.24 1nku h HIS 17 N 0.60 -0.55 -0.17 -3.82 2.76 -0.37 -0.04 115.15 113.55 1nku h HIS 17 Ca 0.11 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 1nku h HIS 17 Cb 0.49 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1nku h HIS 17 CO 0.02 -0.31 -0.30 -0.44 -1.30 0.00 0.00 177.93 175.60 1nku h ASP 18 N -0.44 0.56 -0.96 3.26 3.32 -1.28 -3.24 116.42 117.63 1nku h ASP 18 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 57.03 56.53 1nku h ASP 18 Cb 0.42 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1nku h ASP 18 CO -0.06 1.00 0.63 0.78 -1.72 0.00 0.00 179.24 179.87 1nku h ASN 19 N 0.15 1.08 0.00 6.45 2.35 -1.13 -3.47 115.58 121.01 1nku h ASN 19 Ca 0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1nku h ASN 19 Cb 0.89 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1nku h ASN 19 CO 0.07 0.77 0.00 -0.62 -1.65 0.00 0.00 177.43 176.00 1nku n GLU 20 N -4.44 0.00 -2.74 0.81 1.02 -0.04 -5.03 120.64 110.23 1nku n GLU 20 Ca 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.24 1nku n GLU 20 Cb 0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.45 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 -3.71 0.00 -0.32 -0.00 -1.24 -4.41 117.44 107.76 1nku n TRP 21 Ca 0.00 1.84 0.00 0.00 -0.00 0.00 0.00 57.50 59.34 1nku n TRP 21 Cb 0.00 -3.65 0.00 0.00 -0.00 0.00 0.00 31.31 27.66 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 1.14 0.40 3.76 5.87 0.00 -0.08 -4.95 105.19 111.34 1nku n GLY 22 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1nku n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nku s VAL 23 N -2.00 3.50 0.07 1.61 -7.23 -1.26 -4.36 120.40 110.73 1nku s VAL 23 Ca 0.00 1.48 -0.31 0.00 -1.81 0.00 0.00 61.98 61.34 1nku s VAL 23 Cb 0.00 -3.94 -0.08 0.00 0.56 0.00 0.00 36.38 32.91 1nku s VAL 23 CO 0.00 0.34 1.66 -2.16 -0.31 0.00 0.00 175.10 174.64 1nku s PRO 24 N -1.33 4.19 -0.09 4.82 0.04 -1.25 -3.13 135.00 138.25 1nku s PRO 24 Ca 0.45 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.88 1nku s PRO 24 Cb -0.32 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1nku s PRO 24 CO 0.41 -0.74 -0.22 -1.21 0.04 0.00 0.00 177.00 175.27 1nku s GLU 25 N 2.66 2.78 0.00 4.56 0.41 0.03 -4.96 118.70 124.18 1nku s GLU 25 Ca 0.74 -0.80 0.03 0.00 -0.41 0.00 0.00 54.97 54.53 1nku s GLU 25 Cb -0.40 -2.14 0.03 0.00 -1.78 0.00 0.00 34.13 29.84 1nku s GLU 25 CO 0.32 0.17 0.64 0.25 -0.49 0.00 0.00 175.26 176.15 1nku n THR 26 N 3.52 0.11 -2.65 3.63 -2.24 -1.26 -4.92 114.28 110.46 1nku n THR 26 Ca -0.19 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.60 1nku n THR 26 Cb 0.53 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.31 7.16 0.29 3.42 1.01 -1.26 -4.88 116.67 122.10 1nku s ASP 27 Ca 0.03 1.49 -0.02 0.00 0.71 0.00 0.00 52.55 54.77 1nku s ASP 27 Cb 0.02 -2.55 0.41 0.00 1.01 0.00 0.00 42.92 41.82 1nku s ASP 27 CO 0.03 -0.57 1.89 0.28 0.21 0.00 0.00 175.17 177.02 1nku h SER 28 N 7.32 0.87 0.40 0.27 0.02 -1.97 0.19 113.55 120.65 1nku h SER 28 Ca -0.26 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1nku h SER 28 Cb 1.11 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1nku h SER 28 CO 0.92 0.74 -0.19 0.11 -1.14 0.00 0.00 176.83 177.26 1nku h LYS 29 N 0.96 -0.52 -0.54 3.45 1.57 -1.98 0.92 116.57 120.43 1nku h LYS 29 Ca 0.24 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1nku h LYS 29 Cb 0.10 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1nku h LYS 29 CO -0.03 -0.33 0.03 0.87 -0.57 0.00 0.00 179.45 179.42 1nku h LYS 30 N -0.56 0.93 -0.42 3.15 1.57 -1.93 -0.86 116.57 118.46 1nku h LYS 30 Ca -0.06 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1nku h LYS 30 Cb 0.43 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1nku h LYS 30 CO 0.09 0.93 0.07 1.25 -0.57 0.00 0.00 179.45 181.22 1nku h LEU 31 N 0.81 0.66 -0.12 2.94 5.85 -0.44 -1.34 115.31 123.69 1nku h LEU 31 Ca 0.16 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1nku h LEU 31 Cb 0.49 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1nku h LEU 31 CO 0.02 0.75 0.03 0.15 -0.34 0.00 0.00 178.44 179.06 1nku h PHE 32 N 0.55 0.20 -0.06 1.25 3.57 0.10 -2.62 116.94 119.93 1nku h PHE 32 Ca 0.13 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1nku h PHE 32 Cb 0.37 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1nku h PHE 32 CO 0.03 0.35 -0.06 1.05 -2.23 0.00 0.00 178.31 177.44 1nku h GLU 33 N -0.01 0.09 -0.75 1.11 -0.00 -1.10 -2.06 114.58 111.85 1nku h GLU 33 Ca 0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.36 59.36 1nku h GLU 33 Cb 0.25 -0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 28.95 1nku h GLU 33 CO 0.00 0.16 0.37 1.98 -0.00 0.00 0.00 179.01 181.51 1nku h MET 34 N 0.09 1.09 -0.13 1.06 4.05 -0.87 0.15 114.93 120.36 1nku h MET 34 Ca 0.02 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 1nku h MET 34 Cb 0.17 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1nku h MET 34 CO 0.01 0.84 -0.05 0.82 0.23 0.00 0.00 176.91 178.77 1nku h ILE 35 N 1.06 1.30 -0.19 1.77 1.08 -1.16 -2.73 117.51 118.64 1nku h ILE 35 Ca 0.26 -1.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.61 1nku h ILE 35 Cb 0.11 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 1nku h ILE 35 CO -0.03 0.30 -0.24 0.00 -0.69 0.00 0.00 178.15 177.49 1nku h LEU 37 N 0.31 0.92 -1.61 0.00 5.85 -0.58 -2.65 115.31 117.55 1nku h LEU 37 Ca 0.05 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1nku h LEU 37 Cb 0.59 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1nku h LEU 37 CO 0.04 0.86 0.10 -0.33 -0.34 0.00 0.00 178.44 178.78 1nku h GLU 38 N 0.95 0.36 -0.79 1.25 3.07 -1.26 -1.57 114.58 116.58 1nku h GLU 38 Ca 0.21 -0.04 0.18 0.00 -0.50 0.00 0.00 59.36 59.21 1nku h GLU 38 Cb 0.28 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 1nku h GLU 38 CO -0.01 0.30 0.53 0.78 -1.40 0.00 0.00 179.01 179.22 1nku h GLY 39 N 0.50 0.61 1.25 -3.84 0.00 -1.52 0.17 103.07 100.24 1nku h GLY 39 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1nku h GLY 39 CO -0.01 0.03 0.48 -1.61 0.00 0.00 0.00 176.54 175.42 1nku h GLN 40 N 0.32 1.01 -0.80 4.80 4.15 -1.40 -2.20 115.11 120.99 1nku h GLN 40 Ca 0.39 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.79 1nku h GLN 40 Cb 1.06 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 1nku h GLN 40 CO -0.11 0.69 0.52 0.37 -1.93 0.00 0.00 178.83 178.36 1nku h GLN 41 N 1.03 0.90 -6.03 1.69 4.15 -0.76 -3.40 115.11 112.69 1nku h GLN 41 Ca 0.27 -0.05 -0.83 0.00 0.77 0.00 0.00 58.65 58.81 1nku h GLN 41 Cb -0.08 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.41 1nku h GLN 41 CO -0.06 0.60 0.86 0.00 -1.93 0.00 0.00 178.83 178.30 1nku n ALA 42 N -2.42 -0.79 0.00 3.38 0.00 -0.83 0.23 120.51 120.08 1nku n ALA 42 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1nku n ALA 42 Cb 0.16 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 4.70 3.00 0.00 0.00 0.00 -1.26 -4.96 105.19 106.66 1nku n GLY 43 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1nku n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nku n LEU 44 N 0.00 0.00 -3.99 0.99 4.77 0.61 -5.16 117.00 114.23 1nku n LEU 44 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1nku n LEU 44 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1nku n LEU 44 CO 0.00 0.00 -0.30 -0.55 -1.33 0.00 0.00 177.39 175.21 1nku s SER 45 N 0.12 0.28 0.34 -1.43 0.15 -1.25 -4.98 113.70 106.93 1nku s SER 45 Ca 0.00 -0.65 0.07 0.00 0.70 0.00 0.00 55.95 56.07 1nku s SER 45 Cb 0.00 0.18 0.75 0.00 -1.71 0.00 0.00 66.02 65.24 1nku s SER 45 CO 0.00 -0.47 1.86 -0.25 1.20 0.00 0.00 173.24 175.58 1nku h TRP 46 N 3.82 0.91 -0.96 3.44 2.91 -1.98 -0.72 115.95 123.37 1nku h TRP 46 Ca -0.33 0.03 0.06 0.00 1.13 0.00 0.00 58.89 59.78 1nku h TRP 46 Cb 1.18 -0.29 -0.06 0.00 -0.51 0.00 0.00 29.16 29.48 1nku h TRP 46 CO 0.58 0.34 0.63 0.97 -1.03 0.00 0.00 178.44 179.92 1nku h ILE 47 N 0.77 1.09 -0.30 2.65 -0.00 -2.00 -1.46 117.51 118.26 1nku h ILE 47 Ca 0.47 -0.39 -0.09 0.00 -0.00 0.00 0.00 64.86 64.85 1nku h ILE 47 Cb 0.67 -0.14 -0.02 0.00 -0.00 0.00 0.00 36.82 37.34 1nku h ILE 47 CO -0.23 0.21 -0.18 0.74 -0.00 0.00 0.00 178.15 178.69 1nku h THR 48 N 1.13 1.25 -0.87 2.19 2.02 -1.54 -3.11 112.91 113.97 1nku h THR 48 Ca 0.41 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.47 1nku h THR 48 Cb 0.16 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1nku h THR 48 CO -0.16 0.37 0.57 0.58 0.37 0.00 0.00 175.52 177.26 1nku h VAL 49 N 0.49 1.16 -0.07 3.16 2.07 -1.09 -2.52 116.25 119.46 1nku h VAL 49 Ca 0.08 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1nku h VAL 49 Cb 0.59 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1nku h VAL 49 CO 0.04 0.20 -0.09 -0.07 0.02 0.00 0.00 177.57 177.68 1nku h LEU 50 N 1.12 -0.27 0.28 2.57 -0.00 -1.49 1.19 115.31 118.71 1nku h LEU 50 Ca 0.34 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 58.26 1nku h LEU 50 Cb -0.03 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1nku h LEU 50 CO -0.10 -0.12 -0.13 0.11 -0.00 0.00 0.00 178.44 178.19 1nku h LYS 51 N -0.12 -0.36 -0.15 1.13 1.57 -1.64 -2.24 116.57 114.76 1nku h LYS 51 Ca 0.06 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1nku h LYS 51 Cb 0.20 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1nku h LYS 51 CO -0.14 -0.23 -0.04 0.87 -0.57 0.00 0.00 179.45 179.34 1nku h LYS 52 N -0.40 0.22 -0.88 3.15 1.79 -1.25 -2.13 116.57 117.08 1nku h LYS 52 Ca -0.04 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.52 1nku h LYS 52 Cb 0.30 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.83 1nku h LYS 52 CO 0.06 0.29 0.50 -0.09 -1.08 0.00 0.00 179.45 179.13 1nku h ARG 53 N 0.22 0.75 -0.35 3.15 2.43 0.21 0.73 114.38 121.52 1nku h ARG 53 Ca 0.05 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1nku h ARG 53 Cb 0.23 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1nku h ARG 53 CO 0.01 0.50 -0.07 0.93 -1.51 0.00 0.00 179.97 179.83 1nku h GLU 54 N 0.78 0.67 -0.65 0.20 4.39 -1.19 -2.53 114.58 116.25 1nku h GLU 54 Ca 0.45 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 1nku h GLU 54 Cb 0.52 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1nku h GLU 54 CO -0.30 0.82 0.19 -0.97 -1.16 0.00 0.00 179.01 177.60 1nku h ASN 55 N 0.46 0.92 -0.40 1.42 -0.73 -0.96 -2.70 115.58 113.59 1nku h ASN 55 Ca 0.09 -0.16 0.05 0.00 1.87 0.00 0.00 56.30 58.15 1nku h ASN 55 Cb 0.57 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.87 1nku h ASN 55 CO 0.03 0.86 0.15 0.22 -0.37 0.00 0.00 177.43 178.33 1nku h TYR 56 N 0.95 0.27 0.00 0.67 3.20 0.66 -0.17 116.97 122.55 1nku h TYR 56 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1nku h TYR 56 Cb 0.28 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1nku h TYR 56 CO 0.02 0.11 -0.13 0.00 -1.64 0.00 0.00 178.16 176.52 1nku h ARG 57 N 0.32 0.00 0.13 1.82 3.08 -1.18 0.99 114.38 119.53 1nku h ARG 57 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1nku h ARG 57 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1nku h ARG 57 CO -0.18 0.13 -0.06 0.00 -1.07 0.00 0.00 179.97 178.79 1nku h ALA 58 N 1.87 -0.17 0.04 0.04 0.00 -0.72 -2.82 119.26 117.50 1nku h ALA 58 Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1nku h ALA 58 Cb 0.27 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1nku h ALA 58 CO 0.02 -0.58 -2.10 0.00 0.00 0.00 0.00 179.25 176.59 1nku h PHE 60 N 0.02 -0.01 -0.84 0.00 0.04 -0.92 -3.27 116.94 111.96 1nku h PHE 60 Ca -0.44 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.35 1nku h PHE 60 Cb 2.04 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 40.15 1nku h PHE 60 CO 0.03 0.73 0.56 0.45 -0.60 0.00 0.00 178.31 179.48 1nku h HIS 61 N -0.97 1.03 -0.57 -0.55 3.86 -1.59 -1.11 115.15 115.25 1nku h HIS 61 Ca -0.00 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1nku h HIS 61 Cb 0.74 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1nku h HIS 61 CO 0.20 0.62 0.38 1.96 0.86 0.00 0.00 177.93 181.96 1nku h GLN 62 N 1.09 0.63 -0.01 2.45 4.20 -1.69 0.94 115.11 122.72 1nku h GLN 62 Ca 0.32 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1nku h GLN 62 Cb -0.05 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1nku h GLN 62 CO -0.08 0.41 -0.12 1.19 -0.67 0.00 0.00 178.83 179.56 1nku n PHE 63 N -4.47 0.00 -1.41 2.96 3.01 -0.49 -5.04 117.46 112.02 1nku n PHE 63 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1nku n PHE 63 Cb 0.15 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1nku n PHE 63 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nku n ASP 64 N -0.77 -7.62 0.24 4.37 2.03 0.32 -3.78 116.55 111.34 1nku n ASP 64 Ca 0.15 1.59 0.08 0.00 0.52 0.00 0.00 54.79 57.13 1nku n ASP 64 Cb 0.29 -4.41 0.59 0.00 -0.72 0.00 0.00 41.12 36.87 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nku h PRO 65 N 0.38 0.00 -0.20 -0.67 0.13 -1.86 -3.04 132.00 126.74 1nku h PRO 65 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1nku h PRO 65 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1nku h PRO 65 CO 0.00 0.16 0.08 0.28 -0.23 0.00 0.00 178.00 178.29 1nku h VAL 66 N 0.00 1.15 -0.18 1.56 2.07 -1.98 -2.41 116.25 116.47 1nku h VAL 66 Ca -0.00 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1nku h VAL 66 Cb 0.32 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1nku h VAL 66 CO 0.02 0.15 -0.13 0.11 0.02 0.00 0.00 177.57 177.74 1nku h LYS 67 N 0.17 0.28 -0.68 1.57 1.57 -1.63 -2.34 116.57 115.52 1nku h LYS 67 Ca 0.07 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1nku h LYS 67 Cb 0.16 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1nku h LYS 67 CO -0.01 0.42 0.40 0.28 -0.57 0.00 0.00 179.45 179.97 1nku h VAL 68 N 0.27 1.01 0.00 0.50 2.07 -1.36 1.63 116.25 120.38 1nku h VAL 68 Ca 0.05 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1nku h VAL 68 Cb 0.39 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1nku h VAL 68 CO 0.02 0.14 -0.24 0.00 0.02 0.00 0.00 177.57 177.51 1nku h ALA 69 N 1.33 1.01 -0.42 1.67 0.00 -1.21 -2.65 119.26 119.00 1nku h ALA 69 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nku h ALA 69 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nku h ALA 69 CO -0.16 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1nku n ALA 70 N -2.23 3.41 -2.04 0.00 0.00 0.63 -4.86 120.51 115.43 1nku n ALA 70 Ca 0.00 -2.11 -0.29 0.00 0.00 0.00 0.00 53.44 51.05 1nku n ALA 70 Cb 0.44 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 19.00 1nku n ALA 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nku s MET 71 N -2.76 3.29 0.24 0.00 -1.94 0.53 -4.95 119.30 113.70 1nku s MET 71 Ca 0.48 0.37 0.07 0.00 -1.71 0.00 0.00 55.69 54.90 1nku s MET 71 Cb 0.38 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.98 1nku s MET 71 CO 0.13 -0.58 0.19 -0.65 -0.01 0.00 0.00 175.02 174.10 1nku s GLN 72 N -5.05 2.94 0.50 2.03 -0.21 -1.26 -4.99 119.66 113.61 1nku s GLN 72 Ca 0.53 -1.03 0.15 0.00 0.02 0.00 0.00 55.36 55.04 1nku s GLN 72 Cb -0.11 -2.58 1.20 0.00 1.00 0.00 0.00 33.01 32.52 1nku s GLN 72 CO 0.49 0.41 2.11 0.93 -2.12 0.00 0.00 175.29 177.11 1nku h GLU 73 N 1.59 0.12 -0.75 2.91 5.08 -2.01 -0.51 114.58 121.02 1nku h GLU 73 Ca -0.48 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1nku h GLU 73 Cb 1.23 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1nku h GLU 73 CO 0.61 0.08 0.50 0.93 -1.00 0.00 0.00 179.01 180.12 1nku h GLU 74 N 0.12 0.98 -0.85 2.33 4.39 -2.01 -0.71 114.58 118.83 1nku h GLU 74 Ca 0.07 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1nku h GLU 74 Cb 0.12 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 1nku h GLU 74 CO -0.01 0.65 0.56 0.22 -1.16 0.00 0.00 179.01 179.26 1nku h ASP 75 N 1.01 0.90 -0.92 1.42 3.58 -1.48 -1.29 116.42 119.64 1nku h ASP 75 Ca 0.28 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1nku h ASP 75 Cb -0.11 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.69 1nku h ASP 75 CO -0.06 0.62 0.54 0.58 -2.88 0.00 0.00 179.24 178.03 1nku h VAL 76 N 1.05 1.26 -0.87 2.25 2.07 -1.13 -1.89 116.25 118.99 1nku h VAL 76 Ca 0.34 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1nku h VAL 76 Cb 0.04 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.74 1nku h VAL 76 CO -0.10 0.28 0.58 -0.33 0.02 0.00 0.00 177.57 178.01 1nku h GLU 77 N 1.28 1.12 -0.57 1.57 4.39 -1.01 0.14 114.58 121.50 1nku h GLU 77 Ca 0.33 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 1nku h GLU 77 Cb -0.02 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.35 1nku h GLU 77 CO -0.06 0.74 0.07 0.00 -1.16 0.00 0.00 179.01 178.61 1nku h ARG 78 N 1.15 0.96 -0.14 2.33 3.08 -1.14 -2.65 114.38 117.98 1nku h ARG 78 Ca 0.33 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1nku h ARG 78 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1nku h ARG 78 CO -0.08 0.93 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.38 1nku h LEU 79 N 0.86 0.26 -1.08 3.04 3.38 -0.78 1.62 115.31 122.61 1nku h LEU 79 Ca 0.17 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.22 1nku h LEU 79 Cb 0.44 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 1nku h LEU 79 CO 0.01 0.56 0.62 0.58 0.09 0.00 0.00 178.44 180.30 1nku h VAL 80 N 0.23 0.78 0.00 1.22 2.07 -0.62 -3.18 116.25 116.75 1nku h VAL 80 Ca 0.03 -0.27 -0.26 0.00 0.82 0.00 0.00 66.70 67.02 1nku h VAL 80 Cb 0.65 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1nku h VAL 80 CO 0.05 0.15 -1.97 1.67 0.02 0.00 0.00 177.57 177.49 1nku n GLN 81 N -4.68 0.42 -2.44 1.57 7.27 -1.03 -4.73 117.38 113.75 1nku n GLN 81 Ca 0.21 0.11 -0.28 0.00 0.07 0.00 0.00 57.00 57.11 1nku n GLN 81 Cb 0.51 -1.31 0.01 0.00 2.41 0.00 0.00 30.24 31.86 1nku n GLN 81 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1nku s ASP 82 N -5.79 6.14 0.00 1.69 2.15 0.55 -4.08 116.67 117.33 1nku s ASP 82 Ca -0.23 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.74 1nku s ASP 82 Cb 0.06 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1nku s ASP 82 CO 0.38 -0.72 0.00 0.00 -0.17 0.00 0.00 175.17 174.66 1nku n ALA 83 N -2.41 0.00 -2.49 3.66 0.00 -1.26 -4.20 120.51 113.81 1nku n ALA 83 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1nku n ALA 83 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -0.12 3.85 0.00 0.00 -1.26 -4.98 105.19 102.68 1nku n GLY 84 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.79 3.19 -0.10 -0.61 -4.36 -1.26 -5.02 121.20 110.24 1nku s ILE 85 Ca 0.09 -1.39 -0.39 0.00 -0.26 0.00 0.00 60.65 58.70 1nku s ILE 85 Cb -0.04 -3.10 -0.17 0.00 1.25 0.00 0.00 42.46 40.39 1nku s ILE 85 CO 0.12 -0.11 1.46 -0.38 0.24 0.00 0.00 174.94 176.26 1nku n ILE 86 N -1.41 0.10 -4.41 8.37 5.41 -1.26 -4.91 119.36 121.25 1nku n ILE 86 Ca -0.00 -0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.39 1nku n ILE 86 Cb 0.61 -0.80 -0.12 0.00 -0.71 0.00 0.00 39.64 38.62 1nku n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nku s ARG 87 N 1.64 3.54 0.00 0.38 1.70 -1.26 -4.88 118.95 120.08 1nku s ARG 87 Ca 0.92 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 1nku s ARG 87 Cb -1.09 -2.88 0.00 0.00 -0.57 0.00 0.00 34.95 30.40 1nku s ARG 87 CO 0.58 0.32 0.19 1.58 -1.08 0.00 0.00 175.30 176.89 1nku n HIS 88 N 3.29 0.00 0.00 5.89 -0.00 -1.26 -5.04 115.22 118.10 1nku n HIS 88 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 1nku n HIS 88 Cb 0.53 0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.57 1nku n HIS 88 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1nku n ARG 89 N 0.00 0.00 -0.16 1.57 0.63 -1.26 -3.38 116.66 114.06 1nku n ARG 89 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1nku n ARG 89 Cb 0.39 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.32 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 0.68 1.01 5.14 0.00 -1.99 -1.37 103.07 106.53 1nku h GLY 90 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1nku h GLY 90 CO 0.00 0.24 0.48 0.50 0.00 0.00 0.00 176.54 177.76 1nku h LYS 91 N 0.65 1.03 -0.69 4.80 1.57 -1.96 -1.21 116.57 120.76 1nku h LYS 91 Ca 0.18 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1nku h LYS 91 Cb -0.07 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 1nku h LYS 91 CO -0.04 0.71 0.30 0.82 -0.57 0.00 0.00 179.45 180.66 1nku h ILE 92 N 1.05 1.24 -0.65 1.86 2.04 -1.76 -1.85 117.51 119.44 1nku h ILE 92 Ca 0.28 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1nku h ILE 92 Cb -0.07 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1nku h ILE 92 CO -0.06 0.29 0.43 -0.61 0.00 0.00 0.00 178.15 178.21 1nku h GLN 93 N 0.96 0.78 -0.82 2.37 4.15 -0.50 -0.98 115.11 121.07 1nku h GLN 93 Ca 0.23 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1nku h GLN 93 Cb 0.17 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 1nku h GLN 93 CO -0.02 0.51 0.48 0.00 -1.93 0.00 0.00 178.83 177.87 1nku h ALA 94 N 1.61 1.29 -0.12 3.38 0.00 -0.40 -2.13 119.26 122.91 1nku h ALA 94 Ca 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1nku h ALA 94 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1nku h ALA 94 CO -0.07 0.59 0.03 0.82 0.00 0.00 0.00 179.25 180.63 1nku h ILE 95 N 1.14 0.96 -0.82 0.00 2.04 -0.94 -1.99 117.51 117.90 1nku h ILE 95 Ca 0.29 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 66.18 1nku h ILE 95 Cb -0.02 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1nku h ILE 95 CO -0.05 0.02 0.51 0.40 0.00 0.00 0.00 178.15 179.02 1nku h ILE 96 N 0.09 1.05 -0.79 -0.67 2.04 -1.26 -1.28 117.51 116.68 1nku h ILE 96 Ca 0.05 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1nku h ILE 96 Cb 0.03 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 1nku h ILE 96 CO -0.06 0.17 0.52 1.23 0.00 0.00 0.00 178.15 180.01 1nku h GLY 97 N 0.93 1.11 0.98 5.37 0.00 -0.77 -1.31 103.07 109.38 1nku h GLY 97 Ca 0.35 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.31 1nku h GLY 97 CO -0.16 0.34 0.60 3.43 0.00 0.00 0.00 176.54 180.75 1nku h ASN 98 N 0.99 1.03 -0.18 0.19 -0.26 -0.53 -1.42 115.58 115.39 1nku h ASN 98 Ca 0.31 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.90 1nku h ASN 98 Cb 0.02 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 1nku h ASN 98 CO -0.09 0.74 -0.32 0.00 -1.06 0.00 0.00 177.43 176.70 1nku h ALA 99 N 1.34 0.86 -0.74 -0.83 0.00 -1.10 -1.37 119.26 117.42 1nku h ALA 99 Ca 0.34 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nku h ALA 99 Cb -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1nku h ALA 99 CO -0.08 0.63 0.45 0.00 0.00 0.00 0.00 179.25 180.25 1nku h ARG 100 N 0.57 1.00 -0.20 0.00 2.47 -0.38 -0.28 114.38 117.57 1nku h ARG 100 Ca 0.07 -0.09 -0.15 0.00 -1.26 0.00 0.00 59.98 58.55 1nku h ARG 100 Cb 0.82 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1nku h ARG 100 CO 0.07 0.70 -0.47 0.00 0.56 0.00 0.00 179.97 180.83 1nku h ALA 101 N 1.24 0.32 -0.63 0.04 0.00 -1.12 -2.86 119.26 116.25 1nku h ALA 101 Ca 0.27 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nku h ALA 101 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nku h ALA 101 CO -0.05 0.47 0.41 -0.92 0.00 0.00 0.00 179.25 179.16 1nku h TYR 102 N 0.35 0.81 -0.74 0.00 3.20 -0.94 -2.32 116.97 117.33 1nku h TYR 102 Ca -0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1nku h TYR 102 Cb 1.08 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 1nku h TYR 102 CO 0.09 0.53 0.28 1.25 -1.64 0.00 0.00 178.16 178.67 1nku h LEU 103 N 0.86 1.04 -1.01 2.82 5.85 -1.06 -2.46 115.31 121.34 1nku h LEU 103 Ca 0.23 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1nku h LEU 103 Cb -0.07 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 1nku h LEU 103 CO -0.05 0.94 0.57 1.56 -0.34 0.00 0.00 178.44 181.11 1nku h GLN 104 N 1.07 1.24 -0.74 1.25 1.08 -1.22 -2.22 115.11 115.58 1nku h GLN 104 Ca 0.25 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1nku h GLN 104 Cb 0.23 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1nku h GLN 104 CO -0.02 0.86 0.22 1.98 -0.95 0.00 0.00 178.83 180.93 1nku h MET 105 N 1.27 1.15 0.00 1.46 4.05 -1.01 -2.32 114.93 119.53 1nku h MET 105 Ca 0.33 -0.25 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1nku h MET 105 Cb -0.07 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 1nku h MET 105 CO -0.06 0.98 -0.18 1.49 0.23 0.00 0.00 176.91 179.37 1nku h GLU 106 N 1.10 0.00 -0.71 0.39 4.81 -0.98 -2.32 114.58 116.88 1nku h GLU 106 Ca 0.24 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.65 1nku h GLU 106 Cb 0.32 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1nku h GLU 106 CO -0.01 0.18 0.49 1.96 -0.73 0.00 0.00 179.01 180.91 1nku h GLN 107 N 0.00 0.15 -0.00 1.92 1.08 -1.01 0.91 115.11 118.16 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1nku h GLN 107 Cb 0.36 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1nku h GLN 107 CO 0.02 0.10 -0.01 0.09 -0.95 0.00 0.00 178.83 178.08 1nku n ASN 108 N -4.39 0.03 -0.87 1.46 5.03 -0.87 -4.89 115.26 110.76 1nku n ASN 108 Ca 0.14 0.01 -0.08 0.00 0.87 0.00 0.00 54.58 55.52 1nku n ASN 108 Cb 0.68 -0.33 -0.01 0.00 -1.02 0.00 0.00 39.78 39.10 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 1.35 0.14 3.27 7.41 0.00 0.31 -5.01 105.19 112.66 1nku n GLY 109 Ca 0.12 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.22 2.86 0.20 1.61 0.41 -1.26 -5.07 118.70 113.22 1nku s GLU 110 Ca 0.00 -1.00 -0.32 0.00 -0.41 0.00 0.00 54.97 53.24 1nku s GLU 110 Cb 0.00 -3.25 -0.14 0.00 -1.78 0.00 0.00 34.13 28.95 1nku s GLU 110 CO 0.00 -0.49 1.33 -2.30 -0.49 0.00 0.00 175.26 173.31 1nku n PRO 111 N 4.77 1.67 -0.19 0.39 -0.02 -1.26 -4.62 135.00 135.74 1nku n PRO 111 Ca -0.15 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1nku n PRO 111 Cb 0.47 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.11 0.88 -0.72 6.00 3.04 -1.95 -2.95 116.94 125.35 1nku h PHE 112 Ca -0.45 -0.10 -0.03 0.00 3.98 0.00 0.00 57.97 61.38 1nku h PHE 112 Cb 1.30 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.53 1nku h PHE 112 CO 0.56 0.77 0.35 0.00 -2.02 0.00 0.00 178.31 177.97 1nku h ALA 113 N 1.01 0.93 -0.91 2.41 0.00 -1.89 -2.28 119.26 118.54 1nku h ALA 113 Ca 0.17 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1nku h ALA 113 Cb 0.32 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1nku h ALA 113 CO -0.00 0.50 0.59 0.22 0.00 0.00 0.00 179.25 180.55 1nku h ASP 114 N 1.01 0.85 -0.19 0.00 3.58 -1.88 -1.14 116.42 118.66 1nku h ASP 114 Ca 0.25 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 1nku h ASP 114 Cb 0.12 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1nku h ASP 114 CO -0.03 0.51 0.11 0.15 -2.88 0.00 0.00 179.24 177.10 1nku h PHE 115 N 0.94 0.25 -0.54 0.28 3.57 -1.30 -1.47 116.94 118.67 1nku h PHE 115 Ca 0.41 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1nku h PHE 115 Cb 0.34 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1nku h PHE 115 CO -0.00 0.22 0.31 0.28 -2.23 0.00 0.00 178.31 176.88 1nku h VAL 116 N 0.22 1.18 -0.71 1.41 2.07 -1.11 -2.18 116.25 117.12 1nku h VAL 116 Ca 0.07 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1nku h VAL 116 Cb 0.04 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1nku h VAL 116 CO -0.01 0.19 0.47 -0.50 0.02 0.00 0.00 177.57 177.73 1nku h TRP 117 N 0.73 0.87 -0.61 1.57 4.06 -0.98 -1.98 115.95 119.61 1nku h TRP 117 Ca 0.19 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.14 1nku h TRP 117 Cb 0.03 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 27.87 1nku h TRP 117 CO -0.02 0.54 0.29 0.77 -3.56 0.00 0.00 178.44 176.46 1nku h SER 118 N 0.93 0.78 0.29 -3.49 0.02 -0.63 1.28 113.55 112.74 1nku h SER 118 Ca 0.26 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1nku h SER 118 Cb -0.07 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1nku h SER 118 CO -0.06 0.67 -0.22 -0.26 -1.14 0.00 0.00 176.83 175.82 1nku h PHE 119 N 0.87 0.00 -0.58 3.45 -1.00 -1.12 -1.84 116.94 116.73 1nku h PHE 119 Ca 0.21 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.93 1nku h PHE 119 Cb 0.10 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 1nku h PHE 119 CO 0.01 0.22 0.07 1.33 -1.61 0.00 0.00 178.31 178.33 1nku n VAL 120 N -4.08 2.76 -2.89 -0.55 0.24 -0.83 -4.89 118.33 108.08 1nku n VAL 120 Ca -0.02 -1.57 -0.20 0.00 -2.04 0.00 0.00 64.34 60.52 1nku n VAL 120 Cb 0.29 -0.30 0.03 0.00 -1.47 0.00 0.00 33.84 32.39 1nku n VAL 120 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nku n ASN 121 N 0.22 -5.56 -0.90 -1.34 2.85 -0.69 -1.98 115.26 107.86 1nku n ASN 121 Ca 0.31 -0.24 -0.03 0.00 -0.11 0.00 0.00 54.58 54.51 1nku n ASN 121 Cb 1.21 -4.40 -0.01 0.00 1.24 0.00 0.00 39.78 37.82 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1nku n HIS 122 N -4.35 -0.71 -3.85 1.20 -0.00 0.43 -4.82 115.22 103.13 1nku n HIS 122 Ca -0.11 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.26 1nku n HIS 122 Cb 0.61 -1.26 -0.13 0.00 -0.00 0.00 0.00 29.99 29.21 1nku n HIS 122 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1nku s GLN 123 N -1.92 2.44 0.48 1.57 0.74 -0.84 -5.05 119.66 117.08 1nku s GLN 123 Ca 0.00 -1.30 -0.21 0.00 0.05 0.00 0.00 55.36 53.89 1nku s GLN 123 Cb 0.00 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.70 1nku s GLN 123 CO 0.00 -0.69 0.66 -2.30 -0.55 0.00 0.00 175.29 172.42 1nku n PRO 124 N 4.68 0.73 -4.69 1.67 -0.02 -1.26 -4.95 135.00 131.16 1nku n PRO 124 Ca -0.12 0.27 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 1nku n PRO 124 Cb 0.43 -1.72 -0.12 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.91 2.23 0.06 -0.52 -1.52 -0.99 -5.07 119.66 111.94 1nku s GLN 125 Ca 0.66 -0.89 0.02 0.00 -1.95 0.00 0.00 55.36 53.20 1nku s GLN 125 Cb -0.53 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 1nku s GLN 125 CO 0.56 0.56 -0.07 0.00 -0.25 0.00 0.00 175.29 176.09 1nku s MET 126 N -1.29 0.64 0.14 2.91 0.23 -1.26 -1.96 119.30 118.71 1nku s MET 126 Ca 0.14 -0.99 0.05 0.00 -1.03 0.00 0.00 55.69 53.86 1nku s MET 126 Cb -0.11 -0.23 -0.04 0.00 -1.53 0.00 0.00 34.83 32.93 1nku s MET 126 CO 0.05 0.01 -0.11 -0.08 -2.03 0.00 0.00 175.02 172.87 1nku s THR 127 N -2.33 1.18 -0.45 3.16 -1.32 -1.09 -4.90 115.64 109.89 1nku s THR 127 Ca -0.01 -1.99 0.07 0.00 -1.21 0.00 0.00 61.69 58.55 1nku s THR 127 Cb -0.04 -1.78 0.41 0.00 -1.51 0.00 0.00 72.50 69.58 1nku s THR 127 CO -0.02 -0.70 1.03 1.67 -2.21 0.00 0.00 174.62 174.40 1nku n GLN 128 N -0.06 2.92 -2.53 7.08 7.27 -1.26 -4.71 117.38 126.08 1nku n GLN 128 Ca -0.11 -4.33 -0.43 0.00 0.07 0.00 0.00 57.00 52.20 1nku n GLN 128 Cb 0.60 -2.07 -0.02 0.00 2.41 0.00 0.00 30.24 31.16 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nku s ALA 129 N -3.41 3.52 0.19 1.69 0.00 0.14 -4.79 121.76 119.11 1nku s ALA 129 Ca 0.45 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 52.82 1nku s ALA 129 Cb 0.38 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 20.09 1nku s ALA 129 CO -0.14 -0.82 1.67 1.15 0.00 0.00 0.00 175.76 177.62 1nku h THR 130 N 5.15 1.26 -3.57 0.00 2.02 -1.95 -3.17 112.91 112.66 1nku h THR 130 Ca -0.31 -1.12 -0.39 0.00 0.77 0.00 0.00 66.41 65.36 1nku h THR 130 Cb 1.14 0.77 -0.14 0.00 -1.74 0.00 0.00 68.15 68.18 1nku h THR 130 CO 0.90 0.41 -0.60 0.28 0.37 0.00 0.00 175.52 176.88 1nku s THR 131 N -5.05 0.64 0.40 3.16 -1.32 -1.26 -4.75 115.64 107.46 1nku s THR 131 Ca -0.11 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.44 1nku s THR 131 Cb 0.14 -2.63 0.23 0.00 -1.51 0.00 0.00 72.50 68.72 1nku s THR 131 CO 0.85 0.00 2.01 -0.07 -2.21 0.00 0.00 174.62 175.20 1nku h LEU 132 N 2.28 0.39 -1.34 9.08 3.38 -1.87 -1.84 115.31 125.39 1nku h LEU 132 Ca -0.38 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1nku h LEU 132 Cb 1.25 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1nku h LEU 132 CO 0.61 0.36 0.51 -1.28 0.09 0.00 0.00 178.44 178.73 1nku h SER 133 N 0.44 0.69 0.11 -0.43 0.87 -1.98 0.06 113.55 113.31 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 0.10 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1nku h SER 133 CO -0.01 0.43 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.21 1nku h GLU 134 N 0.78 0.15 -6.36 2.24 4.39 -1.72 -3.41 114.58 110.64 1nku h GLU 134 Ca 0.34 -0.04 -0.54 0.00 0.34 0.00 0.00 59.36 59.46 1nku h GLU 134 Cb 0.33 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1nku h GLU 134 CO -0.12 0.33 0.91 0.42 -1.16 0.00 0.00 179.01 179.39 1nku s ILE 135 N -4.62 3.59 -0.75 3.13 1.01 0.01 -4.87 121.20 118.70 1nku s ILE 135 Ca -0.05 0.94 0.23 0.00 0.00 0.00 0.00 60.65 61.78 1nku s ILE 135 Cb 0.15 -3.61 0.23 0.00 0.01 0.00 0.00 42.46 39.25 1nku s ILE 135 CO 0.72 -0.02 1.71 -0.81 0.00 0.00 0.00 174.94 176.55 1nku n PRO 136 N 5.76 0.14 -0.24 2.79 -0.04 -1.26 -4.84 135.00 137.30 1nku n PRO 136 Ca 0.14 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1nku n PRO 136 Cb 0.43 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1nku n PRO 136 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1nku n THR 137 N -1.96 0.00 -3.70 0.52 -1.04 -1.26 -4.76 114.28 102.08 1nku n THR 137 Ca 0.04 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 1nku n THR 137 Cb 0.29 -0.24 -0.14 0.00 -1.82 0.00 0.00 70.33 68.42 1nku n THR 137 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nku s SER 138 N -1.22 3.74 0.16 8.00 1.04 -1.26 -4.96 113.70 119.20 1nku s SER 138 Ca 0.00 -2.19 0.03 0.00 0.48 0.00 0.00 55.95 54.27 1nku s SER 138 Cb 0.00 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 1nku s SER 138 CO 0.00 -0.33 0.27 0.42 0.98 0.00 0.00 173.24 174.58 1nku s THR 139 N 0.93 5.19 0.48 2.02 -4.23 -1.26 -5.00 115.64 113.76 1nku s THR 139 Ca 0.15 -0.78 0.18 0.00 -1.18 0.00 0.00 61.69 60.05 1nku s THR 139 Cb -0.22 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.17 1nku s THR 139 CO -0.09 -0.12 2.06 1.55 -0.54 0.00 0.00 174.62 177.48 1nku h PRO 140 N 2.08 0.00 -0.33 3.99 0.13 -2.00 -2.71 132.00 133.16 1nku h PRO 140 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1nku h PRO 140 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nku h PRO 140 CO 0.67 0.11 -0.36 0.00 -0.23 0.00 0.00 178.00 178.20 1nku h ALA 141 N 1.89 0.48 -0.47 -0.56 0.00 -1.94 -1.80 119.26 116.85 1nku h ALA 141 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1nku h ALA 141 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nku h ALA 141 CO 0.01 0.56 0.26 0.77 0.00 0.00 0.00 179.25 180.86 1nku h SER 142 N 0.59 0.58 -0.33 0.00 0.02 -1.89 0.63 113.55 113.16 1nku h SER 142 Ca 0.05 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1nku h SER 142 Cb 0.95 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1nku h SER 142 CO 0.09 0.50 0.09 -0.78 -1.14 0.00 0.00 176.83 175.59 1nku h ASP 143 N 0.62 0.49 -0.53 3.07 3.58 -1.50 -0.18 116.42 121.98 1nku h ASP 143 Ca 0.17 -0.22 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 1nku h ASP 143 Cb 0.04 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1nku h ASP 143 CO -0.03 0.58 -0.11 0.00 -2.88 0.00 0.00 179.24 176.80 1nku h ALA 144 N 0.93 0.73 -0.70 -0.78 0.00 -1.05 -2.86 119.26 115.54 1nku h ALA 144 Ca 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1nku h ALA 144 Cb 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1nku h ALA 144 CO -0.00 0.65 0.23 1.25 0.00 0.00 0.00 179.25 181.37 1nku h LEU 145 N 0.89 1.00 -0.54 0.00 6.46 0.46 -2.05 115.31 121.53 1nku h LEU 145 Ca 0.14 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1nku h LEU 145 Cb 0.68 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1nku h LEU 145 CO 0.05 0.93 0.33 0.28 -0.62 0.00 0.00 178.44 179.40 1nku h SER 146 N 1.04 0.53 -0.47 1.25 0.02 -0.81 -0.21 113.55 114.89 1nku h SER 146 Ca 0.23 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1nku h SER 146 Cb 0.28 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1nku h SER 146 CO -0.01 0.37 0.15 0.50 -1.14 0.00 0.00 176.83 176.71 1nku h LYS 147 N 0.65 0.79 0.01 3.45 1.63 -1.29 0.10 116.57 121.91 1nku h LYS 147 Ca 0.22 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1nku h LYS 147 Cb 0.02 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1nku h LYS 147 CO -0.10 0.70 -0.00 0.00 -3.45 0.00 0.00 179.45 176.60 1nku h ALA 148 N 1.40 -0.01 -0.54 5.00 0.00 -0.51 -1.64 119.26 122.97 1nku h ALA 148 Ca 0.18 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1nku h ALA 148 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1nku h ALA 148 CO -0.01 -0.41 0.08 -0.07 0.00 0.00 0.00 179.25 178.85 1nku h LEU 149 N -0.21 0.81 -0.95 0.00 3.38 -0.86 -2.34 115.31 115.14 1nku h LEU 149 Ca -0.00 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1nku h LEU 149 Cb 0.21 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1nku h LEU 149 CO 0.00 0.83 0.62 0.50 0.09 0.00 0.00 178.44 180.47 1nku h LYS 150 N 0.81 1.14 -0.88 1.13 3.64 -0.72 -1.09 116.57 120.61 1nku h LYS 150 Ca 0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1nku h LYS 150 Cb 0.37 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1nku h LYS 150 CO 0.01 0.75 0.48 -0.22 -2.27 0.00 0.00 179.45 178.20 1nku h LYS 151 N 1.17 1.23 0.00 1.90 3.64 -0.76 -0.46 116.57 123.30 1nku h LYS 151 Ca 0.39 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1nku h LYS 151 Cb 0.05 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1nku h LYS 151 CO -0.14 0.91 -0.02 0.00 -2.27 0.00 0.00 179.45 177.93 1nku h ARG 152 N 1.23 0.00 0.00 1.90 -0.00 -0.98 -3.45 114.38 113.08 1nku h ARG 152 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.79 1nku h ARG 152 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1nku h ARG 152 CO -0.05 0.02 0.00 0.41 0.00 0.00 0.00 179.97 180.35 1nku n GLY 153 N -0.63 1.54 3.78 0.04 0.00 -0.18 -4.89 105.19 104.84 1nku n GLY 153 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 3.86 0.60 1.61 0.08 -0.91 -4.95 117.98 116.26 1nku s PHE 154 Ca 0.00 1.53 0.07 0.00 0.12 0.00 0.00 56.93 58.64 1nku s PHE 154 Cb 0.00 -2.72 0.09 0.00 -0.57 0.00 0.00 43.02 39.82 1nku s PHE 154 CO 0.00 0.49 0.82 0.15 -0.10 0.00 0.00 175.22 176.58 1nku s LYS 155 N -0.93 2.20 -1.53 0.44 1.02 -1.26 -4.52 119.74 115.17 1nku s LYS 155 Ca 0.35 -1.45 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 1nku s LYS 155 Cb -0.22 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1nku s LYS 155 CO 0.24 -0.95 0.31 1.97 -0.92 0.00 0.00 175.35 176.01 1nku n PHE 156 N -2.36 -1.48 -1.11 3.18 -1.74 -1.26 -4.82 117.46 107.88 1nku n PHE 156 Ca 0.15 0.70 -0.04 0.00 -0.56 0.00 0.00 57.45 57.70 1nku n PHE 156 Cb 0.61 -3.17 0.28 0.00 1.52 0.00 0.00 39.48 38.72 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1nku n VAL 157 N -4.45 2.77 -0.94 1.97 0.24 -1.26 -4.70 118.33 111.96 1nku n VAL 157 Ca -0.25 -1.87 -0.35 0.00 -2.04 0.00 0.00 64.34 59.84 1nku n VAL 157 Cb 0.65 -0.34 0.08 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.41 -2.94 0.33 7.63 0.00 -1.26 -4.50 105.19 104.05 1nku n GLY 158 Ca 0.37 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.16 0.84 -0.20 2.61 2.02 -1.95 -1.53 112.91 113.54 1nku h THR 159 Ca -0.44 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 1nku h THR 159 Cb 1.30 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1nku h THR 159 CO 0.32 0.00 -0.11 0.71 0.37 0.00 0.00 175.52 176.80 1nku h THR 160 N 0.01 1.31 -0.64 3.16 1.35 -1.96 -1.01 112.91 115.13 1nku h THR 160 Ca 0.15 -1.20 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1nku h THR 160 Cb 0.61 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1nku h THR 160 CO -0.00 0.36 0.31 0.40 -0.25 0.00 0.00 175.52 176.34 1nku h ILE 161 N 0.13 1.22 -0.30 6.82 5.03 -1.60 -1.08 117.51 127.73 1nku h ILE 161 Ca 0.04 -0.61 -0.02 0.00 -0.12 0.00 0.00 64.86 64.16 1nku h ILE 161 Cb 0.61 0.44 -0.01 0.00 -3.03 0.00 0.00 36.82 34.83 1nku h ILE 161 CO 0.03 0.25 0.12 0.00 -0.68 0.00 0.00 178.15 177.87 1nku h TYR 163 N 0.33 0.78 -0.75 0.00 3.20 -0.90 -1.62 116.97 118.02 1nku h TYR 163 Ca 0.10 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1nku h TYR 163 Cb 0.18 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1nku h TYR 163 CO -0.01 0.54 0.33 1.03 -1.64 0.00 0.00 178.16 178.41 1nku h SER 164 N 0.80 1.01 -0.87 -2.11 0.87 -0.98 -2.18 113.55 110.08 1nku h SER 164 Ca 0.21 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1nku h SER 164 Cb -0.01 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.65 1nku h SER 164 CO -0.04 0.89 0.50 0.15 -0.53 0.00 0.00 176.83 177.80 1nku h PHE 165 N 1.07 1.17 -0.51 2.24 3.57 -0.62 -2.36 116.94 121.50 1nku h PHE 165 Ca 0.25 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1nku h PHE 165 Cb 0.17 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1nku h PHE 165 CO 0.01 0.80 -0.11 0.52 -2.23 0.00 0.00 178.31 177.30 1nku h MET 166 N 1.21 0.94 -0.81 1.11 2.86 -0.86 -2.11 114.93 117.28 1nku h MET 166 Ca 0.31 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1nku h MET 166 Cb -0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1nku h MET 166 CO -0.05 0.99 0.47 1.96 1.06 0.00 0.00 176.91 181.34 1nku h GLN 167 N 0.84 1.11 -0.17 1.72 4.20 -0.89 -1.34 115.11 120.57 1nku h GLN 167 Ca 0.13 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 1nku h GLN 167 Cb 0.64 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1nku h GLN 167 CO 0.04 0.80 -0.49 0.00 -0.67 0.00 0.00 178.83 178.51 1nku h ALA 168 N 1.25 0.29 -0.57 3.87 0.00 -1.36 -0.16 119.26 122.58 1nku h ALA 168 Ca 0.29 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nku h ALA 168 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1nku h ALA 168 CO -0.05 0.46 0.18 0.00 0.00 0.00 0.00 179.25 179.84 1nku n GLY 170 N -0.93 0.80 0.37 0.00 0.00 -0.52 -0.79 105.19 104.11 1nku n GLY 170 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 0.42 -8.10 0.99 3.38 -1.83 -3.40 115.31 106.77 1nku h LEU 171 Ca 0.00 0.02 -0.44 0.00 0.09 0.00 0.00 57.88 57.55 1nku h LEU 171 Cb 0.00 -0.07 -0.29 0.00 0.09 0.00 0.00 40.66 40.39 1nku h LEU 171 CO 0.00 0.23 -0.80 0.54 0.09 0.00 0.00 178.44 178.50 1nku s VAL 172 N -5.44 0.91 -0.52 1.22 0.11 -1.26 -2.36 120.40 113.05 1nku s VAL 172 Ca -0.08 -0.48 -0.16 0.00 -2.93 0.00 0.00 61.98 58.33 1nku s VAL 172 Cb 0.21 -0.77 0.11 0.00 -1.53 0.00 0.00 36.38 34.41 1nku s VAL 172 CO 0.76 0.26 0.48 0.20 -3.33 0.00 0.00 175.10 173.48 1nku s ASN 173 N -0.19 6.18 -0.50 3.54 0.01 -0.83 -4.73 114.94 118.42 1nku s ASN 173 Ca 0.03 -1.65 0.04 0.00 -0.71 0.00 0.00 52.86 50.57 1nku s ASN 173 Cb -0.05 -2.21 0.13 0.00 0.41 0.00 0.00 41.25 39.53 1nku s ASN 173 CO -0.00 -0.81 0.25 1.51 -1.51 0.00 0.00 177.10 176.53 1nku s ASP 174 N 3.33 4.23 0.03 -1.22 1.47 -1.26 -2.67 116.67 120.59 1nku s ASP 174 Ca 0.04 -2.94 0.00 0.00 1.18 0.00 0.00 52.55 50.83 1nku s ASP 174 Cb -0.28 -1.55 0.00 0.00 -0.34 0.00 0.00 42.92 40.74 1nku s ASP 174 CO 0.04 -0.24 0.00 1.41 0.68 0.00 0.00 175.17 177.06 1nku n HIS 175 N 3.20 -0.09 0.00 2.11 8.25 -1.26 -5.00 115.22 122.43 1nku n HIS 175 Ca 0.05 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1nku n HIS 175 Cb 0.33 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1nku n HIS 175 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1nku n VAL 176 N -2.75 0.00 0.00 1.59 0.24 -1.26 -4.73 118.33 111.42 1nku n VAL 176 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nku n VAL 176 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1nku n VAL 176 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1nku n VAL 177 N -0.01 0.00 -2.70 3.34 3.14 -1.20 0.25 118.33 121.16 1nku n VAL 177 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1nku n VAL 177 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 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 -0.05 1.55 3.57 7.55 0.00 -1.25 -4.49 105.19 112.07 1nku n GLY 178 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku s TYR 182 N -4.87 3.63 -0.40 0.00 5.04 0.56 -4.88 117.35 116.43 1nku s TYR 182 Ca -0.05 -3.31 0.22 0.00 -2.44 0.00 0.00 57.07 51.49 1nku s TYR 182 Cb 0.21 -2.77 0.34 0.00 0.35 0.00 0.00 41.96 40.08 1nku s TYR 182 CO 0.74 -0.56 1.60 -1.00 -1.34 0.00 0.00 175.55 174.99 1nku h PRO 183 N 5.44 0.00 0.00 4.97 0.13 -1.73 -2.01 132.00 138.80 1nku h PRO 183 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1nku h PRO 183 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1nku h PRO 183 CO 0.74 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 1nku n GLY 184 N 1.09 0.65 3.68 1.56 0.00 -1.26 -3.88 105.19 107.03 1nku n GLY 184 Ca 0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1nku n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nku n ASN 185 N 0.17 -4.70 -3.68 1.61 5.15 -1.26 -4.94 115.26 107.61 1nku n ASN 185 Ca 0.00 -0.65 -0.28 0.00 -0.60 0.00 0.00 54.58 53.05 1nku n ASN 185 Cb 0.00 -4.60 -0.11 0.00 -0.53 0.00 0.00 39.78 34.54 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 -6.23 1.76 0.00 1.20 2.47 -1.25 -5.31 119.74 112.38 1nku s LYS 186 Ca 0.46 -2.76 0.12 0.00 -1.56 0.00 0.00 55.97 52.22 1nku s LYS 186 Cb -0.21 -2.54 0.70 0.00 -1.46 0.00 0.00 37.83 34.31 1nku s LYS 186 CO 0.77 -1.32 1.13 -2.30 0.16 0.00 0.00 175.35 173.79