#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 3.61 0.18 2.12 2.12 -0.98 -4.85 118.70 120.91 1nku s GLU 2 Ca 0.00 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.28 1nku s GLU 2 Cb 0.00 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 1nku s GLU 2 CO 0.00 0.56 0.30 1.03 -0.54 0.00 0.00 175.26 176.60 1nku s ARG 3 N -2.24 3.39 0.23 4.30 0.52 -1.26 0.14 118.95 124.04 1nku s ARG 3 Ca 0.35 -0.69 -0.31 0.00 -0.52 0.00 0.00 55.73 54.56 1nku s ARG 3 Cb -0.13 -2.91 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 1nku s ARG 3 CO 0.21 0.48 1.31 0.00 0.02 0.00 0.00 175.30 177.32 1nku h GLY 5 N 3.75 0.64 0.93 0.00 0.00 -1.97 -0.84 103.07 105.58 1nku h GLY 5 Ca -0.44 -0.22 0.13 0.00 0.00 0.00 0.00 47.33 46.80 1nku h GLY 5 CO 0.72 0.20 0.40 1.49 0.00 0.00 0.00 176.54 179.36 1nku h TRP 6 N 0.57 0.00 -0.79 5.60 4.06 -1.88 -0.31 115.95 123.20 1nku h TRP 6 Ca 0.20 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.28 1nku h TRP 6 Cb 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.15 1nku h TRP 6 CO -0.00 0.00 0.38 0.28 -3.56 0.00 0.00 178.44 175.54 1nku h VAL 7 N 0.00 0.73 0.00 1.49 2.07 -1.49 -3.41 116.25 115.64 1nku h VAL 7 Ca 0.22 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1nku h VAL 7 Cb 1.02 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1nku h VAL 7 CO -0.00 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 176.49 1nku n SER 8 N -4.91 0.00 -4.18 0.57 7.64 -0.13 -4.39 113.62 108.22 1nku n SER 8 Ca 0.15 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 1nku n SER 8 Cb 0.39 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 1nku n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nku s GLN 9 N 0.00 1.17 0.00 1.43 -2.07 -1.26 -5.04 119.66 113.88 1nku s GLN 9 Ca 0.00 -1.58 0.00 0.00 -1.82 0.00 0.00 55.36 51.96 1nku s GLN 9 Cb 0.00 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1nku s GLN 9 CO 0.00 -0.38 0.00 -3.47 -1.32 0.00 0.00 175.29 170.12 1nku n ASP 10 N -0.24 -1.63 0.30 12.60 2.03 -1.26 -4.76 116.55 123.59 1nku n ASP 10 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 1nku n ASP 10 Cb 0.65 -0.82 0.69 0.00 -0.72 0.00 0.00 41.12 40.93 1nku n ASP 10 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nku h PRO 11 N 0.00 0.00 -0.57 -0.67 0.11 -1.96 -0.80 132.00 128.11 1nku h PRO 11 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1nku h PRO 11 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1nku h PRO 11 CO 0.00 0.00 0.21 1.25 -0.21 0.00 0.00 178.00 179.25 1nku h LEU 12 N 0.00 0.76 -0.60 2.35 5.85 -1.98 -2.42 115.31 119.28 1nku h LEU 12 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1nku h LEU 12 Cb 0.70 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1nku h LEU 12 CO 0.00 0.70 0.39 0.22 -0.34 0.00 0.00 178.44 179.41 1nku h TYR 13 N 0.82 0.76 -0.69 1.25 3.20 -1.43 -2.07 116.97 118.81 1nku h TYR 13 Ca 0.19 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1nku h TYR 13 Cb 0.19 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1nku h TYR 13 CO 0.01 0.49 0.43 0.82 -1.64 0.00 0.00 178.16 178.27 1nku h ILE 14 N 0.81 1.19 -0.73 1.81 2.04 -1.59 0.51 117.51 121.54 1nku h ILE 14 Ca 0.22 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1nku h ILE 14 Cb -0.07 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1nku h ILE 14 CO -0.05 0.19 0.37 0.00 0.00 0.00 0.00 178.15 178.67 1nku h ALA 15 N 1.53 0.94 -0.06 1.87 0.00 -1.14 -1.94 119.26 120.47 1nku h ALA 15 Ca 0.25 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1nku h ALA 15 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1nku h ALA 15 CO -0.05 0.49 -0.65 -0.92 0.00 0.00 0.00 179.25 178.12 1nku h TYR 16 N 1.02 0.33 -0.82 0.00 3.20 -0.77 -1.11 116.97 118.82 1nku h TYR 16 Ca 0.25 -0.13 0.12 0.00 3.14 0.00 0.00 58.73 62.11 1nku h TYR 16 Cb 0.08 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 1nku h TYR 16 CO 0.00 0.82 0.43 1.25 -1.64 0.00 0.00 178.16 179.03 1nku h HIS 17 N 0.18 0.77 0.00 -3.82 2.76 0.77 -2.52 115.15 113.30 1nku h HIS 17 Ca -0.01 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1nku h HIS 17 Cb 1.17 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1nku h HIS 17 CO 0.02 0.24 -1.73 -0.25 -1.30 0.00 0.00 177.93 174.92 1nku n ASP 18 N -4.83 0.27 -0.16 3.26 8.00 -1.08 -3.61 116.55 118.40 1nku n ASP 18 Ca 0.15 0.11 -0.06 0.00 0.71 0.00 0.00 54.79 55.70 1nku n ASP 18 Cb 0.36 1.43 0.03 0.00 -0.02 0.00 0.00 41.12 42.91 1nku n ASP 18 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1nku h ASN 19 N 0.00 0.46 0.00 -2.24 -0.00 -0.75 -3.42 115.58 109.62 1nku h ASN 19 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1nku h ASN 19 Cb 1.11 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 39.34 1nku h ASN 19 CO 0.00 0.33 0.00 -1.84 -0.00 0.00 0.00 177.43 175.92 1nku n GLU 20 N -4.82 0.00 -3.94 6.67 0.28 -1.13 -5.09 120.64 112.62 1nku n GLU 20 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.78 1nku n GLU 20 Cb 0.07 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.77 1nku n GLU 20 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1nku s TRP 21 N 0.00 1.16 0.00 -1.84 -0.00 -1.24 -4.72 118.94 112.31 1nku s TRP 21 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 56.10 55.60 1nku s TRP 21 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 33.47 32.44 1nku s TRP 21 CO 0.00 -0.41 0.00 0.41 -0.00 0.00 0.00 176.95 176.95 1nku n GLY 22 N 4.84 3.44 3.76 5.86 0.00 -1.25 -4.85 105.19 116.98 1nku n GLY 22 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.95 3.81 0.08 1.61 -7.23 -1.26 -4.47 120.40 110.00 1nku s VAL 23 Ca 0.00 1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 61.63 1nku s VAL 23 Cb 0.00 -4.10 -0.09 0.00 0.56 0.00 0.00 36.38 32.76 1nku s VAL 23 CO 0.00 0.37 1.65 -2.16 -0.31 0.00 0.00 175.10 174.65 1nku s PRO 24 N -1.46 4.20 -0.18 4.82 0.04 -1.25 -3.69 135.00 137.47 1nku s PRO 24 Ca 0.44 2.34 -0.06 0.00 0.04 0.00 0.00 61.00 63.77 1nku s PRO 24 Cb -0.28 -3.55 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 1nku s PRO 24 CO 0.35 -0.72 0.02 -1.21 0.04 0.00 0.00 177.00 175.47 1nku s GLU 25 N 2.48 3.83 0.00 4.56 2.02 -0.65 -4.96 118.70 125.97 1nku s GLU 25 Ca 0.74 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 55.38 1nku s GLU 25 Cb -0.40 -3.10 0.12 0.00 0.10 0.00 0.00 34.13 30.85 1nku s GLU 25 CO 0.32 0.23 0.91 0.25 0.02 0.00 0.00 175.26 176.99 1nku n THR 26 N 3.63 0.33 -2.73 3.63 -2.24 -1.26 -4.95 114.28 110.69 1nku n THR 26 Ca -0.17 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 1nku n THR 26 Cb 0.52 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.80 7.08 0.33 3.42 1.01 -1.26 -4.91 116.67 121.54 1nku s ASP 27 Ca 0.12 1.34 0.01 0.00 0.71 0.00 0.00 52.55 54.73 1nku s ASP 27 Cb 0.08 -2.52 0.56 0.00 1.01 0.00 0.00 42.92 42.05 1nku s ASP 27 CO 0.11 -0.56 1.98 -1.28 0.21 0.00 0.00 175.17 175.64 1nku h SER 28 N 7.37 0.80 -0.43 0.27 0.87 -1.98 -1.64 113.55 118.80 1nku h SER 28 Ca -0.24 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1nku h SER 28 Cb 1.10 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1nku h SER 28 CO 0.91 0.59 0.28 0.11 -0.53 0.00 0.00 176.83 178.19 1nku h LYS 29 N 0.93 0.54 -0.52 2.24 1.57 -2.00 0.50 116.57 119.84 1nku h LYS 29 Ca 0.25 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1nku h LYS 29 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1nku h LYS 29 CO -0.05 0.36 -0.04 0.87 -0.57 0.00 0.00 179.45 180.02 1nku h LYS 30 N 0.56 0.90 -0.48 3.15 1.57 -1.81 -2.33 116.57 118.13 1nku h LYS 30 Ca 0.16 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1nku h LYS 30 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1nku h LYS 30 CO -0.05 0.92 0.01 1.25 -0.57 0.00 0.00 179.45 181.01 1nku h LEU 31 N 0.82 0.82 0.21 2.94 7.12 -0.75 -1.31 115.31 125.16 1nku h LEU 31 Ca 0.15 -0.30 -0.01 0.00 0.13 0.00 0.00 57.88 57.85 1nku h LEU 31 Cb 0.54 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1nku h LEU 31 CO 0.03 0.92 -0.10 0.15 -0.13 0.00 0.00 178.44 179.30 1nku h PHE 32 N 0.69 -0.27 -0.22 1.25 3.57 -0.74 -2.73 116.94 118.51 1nku h PHE 32 Ca 0.14 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1nku h PHE 32 Cb 0.49 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1nku h PHE 32 CO 0.04 -0.07 -0.18 1.49 -2.23 0.00 0.00 178.31 177.36 1nku h GLU 33 N -0.41 0.37 0.23 1.11 4.81 -1.42 -2.47 114.58 116.79 1nku h GLU 33 Ca -0.03 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1nku h GLU 33 Cb 0.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1nku h GLU 33 CO 0.05 0.54 -0.11 1.98 -0.73 0.00 0.00 179.01 180.74 1nku h MET 34 N 0.34 -0.30 -0.18 1.92 4.05 -1.09 -1.23 114.93 118.44 1nku h MET 34 Ca 0.06 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.41 1nku h MET 34 Cb 0.52 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1nku h MET 34 CO 0.03 -0.12 -0.30 0.97 0.23 0.00 0.00 176.91 177.73 1nku h ILE 35 N -0.41 1.27 -0.05 1.77 2.10 -1.46 -0.88 117.51 119.84 1nku h ILE 35 Ca -0.03 -1.30 -0.01 0.00 1.08 0.00 0.00 64.86 64.60 1nku h ILE 35 Cb 0.31 1.46 -0.00 0.00 -1.09 0.00 0.00 36.82 37.50 1nku h ILE 35 CO 0.05 0.40 0.00 0.00 -1.08 0.00 0.00 178.15 177.52 1nku h LEU 37 N -0.20 0.00 -1.19 0.00 4.07 -1.17 -2.95 115.31 113.87 1nku h LEU 37 Ca 0.01 -0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.13 1nku h LEU 37 Cb 0.32 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.98 1nku h LEU 37 CO 0.00 0.41 0.60 -0.08 -1.08 0.00 0.00 178.44 178.29 1nku h GLU 38 N 0.00 0.73 -0.16 1.13 4.57 -0.93 0.12 114.58 120.03 1nku h GLU 38 Ca -0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1nku h GLU 38 Cb 0.72 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1nku h GLU 38 CO 0.05 0.48 0.05 0.78 -1.18 0.00 0.00 179.01 179.19 1nku h GLY 39 N 0.75 0.24 1.17 1.92 0.00 -1.50 -2.01 103.07 103.64 1nku h GLY 39 Ca 0.49 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.81 1nku h GLY 39 CO -0.25 0.10 0.33 -1.61 0.00 0.00 0.00 176.54 175.12 1nku h GLN 40 N 0.23 0.24 -0.28 4.80 5.75 -0.91 -1.02 115.11 123.92 1nku h GLN 40 Ca 0.06 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1nku h GLN 40 Cb 0.08 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1nku h GLN 40 CO -0.00 0.16 0.25 1.96 -2.65 0.00 0.00 178.83 178.54 1nku h GLN 41 N 0.24 0.00 -5.90 1.69 4.20 -1.44 -3.39 115.11 110.52 1nku h GLN 41 Ca 0.23 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 58.21 1nku h GLN 41 Cb 0.57 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1nku h GLN 41 CO -0.04 0.00 1.38 0.00 -0.67 0.00 0.00 178.83 179.50 1nku n ALA 42 N -2.45 0.39 0.00 3.87 0.00 -0.39 0.40 120.51 122.33 1nku n ALA 42 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1nku n ALA 42 Cb 0.40 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 7.22 3.20 3.41 0.00 0.00 -1.26 -5.01 105.19 112.76 1nku n GLY 43 Ca 0.53 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 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 2.45 0.53 0.99 1.43 1.32 -5.14 118.68 120.27 1nku s LEU 44 Ca 0.00 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.18 1nku s LEU 44 Cb 0.00 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1nku s LEU 44 CO 0.00 0.08 0.81 -0.94 0.23 0.00 0.00 176.35 176.54 1nku s SER 45 N -2.78 5.73 0.25 2.29 1.04 -1.26 -4.47 113.70 114.50 1nku s SER 45 Ca 0.21 0.58 -0.06 0.00 0.48 0.00 0.00 55.95 57.16 1nku s SER 45 Cb -0.07 -1.69 0.26 0.00 0.10 0.00 0.00 66.02 64.62 1nku s SER 45 CO 0.10 -0.90 1.92 -0.25 0.98 0.00 0.00 173.24 175.09 1nku h TRP 46 N 0.05 1.23 -1.00 5.02 2.91 -2.00 -2.62 115.95 119.54 1nku h TRP 46 Ca -0.46 0.03 0.08 0.00 1.13 0.00 0.00 58.89 59.67 1nku h TRP 46 Cb 1.25 -0.42 -0.07 0.00 -0.51 0.00 0.00 29.16 29.41 1nku h TRP 46 CO 0.47 0.77 0.64 0.97 -1.03 0.00 0.00 178.44 180.26 1nku h ILE 47 N 1.32 1.04 -0.58 2.65 6.09 -2.00 -1.13 117.51 124.90 1nku h ILE 47 Ca 0.36 -0.39 -0.10 0.00 -1.37 0.00 0.00 64.86 63.37 1nku h ILE 47 Cb -0.14 -0.18 -0.02 0.00 0.47 0.00 0.00 36.82 36.95 1nku h ILE 47 CO -0.08 0.21 -0.02 0.74 -3.07 0.00 0.00 178.15 175.92 1nku h THR 48 N 1.13 1.27 -0.29 2.19 2.02 -1.86 -2.89 112.91 114.47 1nku h THR 48 Ca 0.45 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1nku h THR 48 Cb 0.25 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1nku h THR 48 CO -0.20 0.42 -0.02 0.58 0.37 0.00 0.00 175.52 176.67 1nku h VAL 49 N 0.93 1.19 -0.50 3.16 2.07 -1.06 -2.81 116.25 119.22 1nku h VAL 49 Ca 0.16 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 67.01 1nku h VAL 49 Cb 0.58 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1nku h VAL 49 CO 0.03 0.25 0.12 -0.07 0.02 0.00 0.00 177.57 177.92 1nku h LEU 50 N 0.43 0.04 -0.31 2.57 3.38 -1.06 2.03 115.31 122.38 1nku h LEU 50 Ca 0.09 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1nku h LEU 50 Cb 0.32 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1nku h LEU 50 CO 0.01 0.05 0.17 0.11 0.09 0.00 0.00 178.44 178.87 1nku h LYS 51 N 0.26 0.43 -0.03 1.13 6.56 -1.59 -1.64 116.57 121.69 1nku h LYS 51 Ca 0.25 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.73 1nku h LYS 51 Cb 0.33 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1nku h LYS 51 CO -0.32 0.36 -0.28 0.87 -2.06 0.00 0.00 179.45 178.03 1nku h LYS 52 N 0.38 0.05 -0.73 3.15 1.79 -1.00 -2.72 116.57 117.49 1nku h LYS 52 Ca 0.11 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.65 1nku h LYS 52 Cb 0.05 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 1nku h LYS 52 CO -0.02 0.33 0.39 -0.09 -1.08 0.00 0.00 179.45 178.98 1nku h ARG 53 N 0.05 0.66 -0.34 3.15 2.43 0.42 1.12 114.38 121.87 1nku h ARG 53 Ca 0.01 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1nku h ARG 53 Cb 0.52 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1nku h ARG 53 CO 0.04 0.44 -0.10 0.93 -1.51 0.00 0.00 179.97 179.77 1nku h GLU 54 N 0.68 0.66 -0.39 0.20 5.08 -1.30 -2.42 114.58 117.09 1nku h GLU 54 Ca 0.35 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1nku h GLU 54 Cb 0.31 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1nku h GLU 54 CO -0.24 0.84 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.65 1nku h ASN 55 N 0.44 0.62 -0.72 1.42 -0.26 -1.14 -2.64 115.58 113.30 1nku h ASN 55 Ca 0.08 -0.15 0.01 0.00 -0.56 0.00 0.00 56.30 55.68 1nku h ASN 55 Cb 0.60 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.66 1nku h ASN 55 CO 0.04 0.73 0.47 0.22 -1.06 0.00 0.00 177.43 177.83 1nku h TYR 56 N 0.60 0.90 -0.82 1.19 5.03 0.15 -1.86 116.97 122.17 1nku h TYR 56 Ca 0.12 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1nku h TYR 56 Cb 0.46 -0.30 -0.04 0.00 1.55 0.00 0.00 36.73 38.39 1nku h TYR 56 CO 0.02 0.56 0.52 0.00 -1.32 0.00 0.00 178.16 177.94 1nku h ARG 57 N 0.97 1.09 -0.23 1.82 3.08 -1.08 0.68 114.38 120.72 1nku h ARG 57 Ca 0.27 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1nku h ARG 57 Cb -0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 1nku h ARG 57 CO -0.06 0.75 0.05 0.00 -1.07 0.00 0.00 179.97 179.63 1nku h ALA 58 N 1.45 1.66 0.00 0.04 0.00 -1.19 0.65 119.26 121.87 1nku h ALA 58 Ca 0.30 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1nku h ALA 58 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1nku h ALA 58 CO -0.06 0.26 -1.33 0.00 0.00 0.00 0.00 179.25 178.12 1nku n PHE 60 N -2.76 0.00 -0.33 0.00 3.72 0.13 -4.65 117.46 113.58 1nku n PHE 60 Ca -0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 1nku n PHE 60 Cb 0.72 -0.04 0.32 0.00 -0.94 0.00 0.00 39.48 39.53 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nku h HIS 61 N -0.03 1.01 -0.65 1.38 2.76 0.17 0.32 115.15 120.11 1nku h HIS 61 Ca -0.03 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1nku h HIS 61 Cb 1.03 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.64 1nku h HIS 61 CO -0.00 0.32 0.43 0.37 -1.30 0.00 0.00 177.93 177.75 1nku h GLN 62 N 0.81 0.44 -0.17 5.26 4.15 -1.68 0.86 115.11 124.78 1nku h GLN 62 Ca 0.52 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.91 1nku h GLN 62 Cb 0.74 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1nku h GLN 62 CO -0.29 0.29 0.00 1.19 -1.93 0.00 0.00 178.83 178.09 1nku n PHE 63 N -4.48 0.20 -1.29 3.99 3.72 0.10 -5.06 117.46 114.64 1nku n PHE 63 Ca 0.11 -0.10 0.15 0.00 -0.05 0.00 0.00 57.45 57.56 1nku n PHE 63 Cb 0.39 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.86 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nku n ASP 64 N 0.95 -6.70 0.16 4.37 9.92 0.29 -3.55 116.55 121.99 1nku n ASP 64 Ca 0.17 1.10 0.01 0.00 -0.53 0.00 0.00 54.79 55.54 1nku n ASP 64 Cb 0.50 -4.33 0.27 0.00 -0.64 0.00 0.00 41.12 36.92 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nku h PRO 65 N -1.36 0.02 -0.24 -0.24 0.13 -1.88 -3.19 132.00 125.23 1nku h PRO 65 Ca -0.14 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1nku h PRO 65 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1nku h PRO 65 CO 0.06 0.49 0.14 -0.24 -0.23 0.00 0.00 178.00 178.22 1nku h VAL 66 N 0.01 1.09 -0.21 1.56 3.04 -1.99 -2.44 116.25 117.32 1nku h VAL 66 Ca -0.00 -0.23 -0.07 0.00 -1.01 0.00 0.00 66.70 65.38 1nku h VAL 66 Cb 0.84 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1nku h VAL 66 CO 0.06 0.09 -0.20 0.11 -1.01 0.00 0.00 177.57 176.63 1nku h LYS 67 N 0.30 0.37 -0.69 4.17 1.57 -1.61 -2.32 116.57 118.36 1nku h LYS 67 Ca 0.09 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1nku h LYS 67 Cb 0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1nku h LYS 67 CO -0.02 0.56 0.41 0.28 -0.57 0.00 0.00 179.45 180.11 1nku h VAL 68 N 0.34 1.03 0.00 0.50 2.07 -1.43 1.76 116.25 120.51 1nku h VAL 68 Ca 0.06 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1nku h VAL 68 Cb 0.54 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1nku h VAL 68 CO 0.04 0.14 -0.33 0.00 0.02 0.00 0.00 177.57 177.44 1nku h ALA 69 N 1.33 0.98 -0.44 1.67 0.00 -1.22 -2.83 119.26 118.75 1nku h ALA 69 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nku h ALA 69 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nku h ALA 69 CO -0.15 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1nku n ALA 70 N -2.26 3.29 -1.89 0.00 0.00 0.27 -4.69 120.51 115.24 1nku n ALA 70 Ca 0.00 -2.00 -0.32 0.00 0.00 0.00 0.00 53.44 51.13 1nku n ALA 70 Cb 0.50 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.55 3.91 0.27 0.00 -1.94 0.57 -4.96 119.30 114.61 1nku s MET 71 Ca 0.47 0.88 0.07 0.00 -1.71 0.00 0.00 55.69 55.40 1nku s MET 71 Cb 0.35 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 1nku s MET 71 CO 0.14 -0.25 0.25 -0.65 -0.01 0.00 0.00 175.02 174.50 1nku s GLN 72 N -4.09 2.96 0.53 2.03 -0.21 -1.26 -4.99 119.66 114.63 1nku s GLN 72 Ca 0.58 -1.07 0.20 0.00 0.02 0.00 0.00 55.36 55.10 1nku s GLN 72 Cb -0.10 -2.60 1.35 0.00 1.00 0.00 0.00 33.01 32.66 1nku s GLN 72 CO 0.32 0.32 2.10 0.93 -2.12 0.00 0.00 175.29 176.84 1nku h GLU 73 N 1.37 0.00 -0.86 2.91 4.39 -2.01 -0.37 114.58 120.01 1nku h GLU 73 Ca -0.48 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.26 1nku h GLU 73 Cb 1.24 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 1nku h GLU 73 CO 0.60 0.00 0.57 0.93 -1.16 0.00 0.00 179.01 179.94 1nku h GLU 74 N 0.00 1.04 -0.80 2.33 5.08 -2.01 -0.65 114.58 119.58 1nku h GLU 74 Ca 0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1nku h GLU 74 Cb 0.39 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1nku h GLU 74 CO -0.00 0.69 0.44 0.22 -1.00 0.00 0.00 179.01 179.36 1nku h ASP 75 N 1.07 0.98 -0.82 1.42 1.82 -1.45 -2.07 116.42 117.38 1nku h ASP 75 Ca 0.34 -0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.92 1nku h ASP 75 Cb 0.03 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.74 1nku h ASP 75 CO -0.10 0.79 0.53 0.58 -1.61 0.00 0.00 179.24 179.43 1nku h VAL 76 N 1.11 1.18 -0.59 2.25 2.07 -1.12 -1.42 116.25 119.74 1nku h VAL 76 Ca 0.28 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1nku h VAL 76 Cb 0.02 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1nku h VAL 76 CO -0.05 0.20 0.34 -0.08 0.02 0.00 0.00 177.57 178.00 1nku h GLU 77 N 1.08 0.80 -0.59 1.57 4.57 -1.01 -1.93 114.58 119.06 1nku h GLU 77 Ca 0.31 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1nku h GLU 77 Cb -0.08 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.31 1nku h GLU 77 CO -0.08 0.57 0.38 -0.09 -1.18 0.00 0.00 179.01 178.61 1nku h ARG 78 N 0.81 0.74 -0.13 1.92 2.43 -0.94 -2.01 114.38 117.20 1nku h ARG 78 Ca 0.21 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1nku h ARG 78 Cb -0.01 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1nku h ARG 78 CO -0.04 0.49 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.49 1nku h LEU 79 N 0.77 0.27 -1.23 3.80 3.38 -1.15 -2.66 115.31 118.49 1nku h LEU 79 Ca 0.22 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.26 1nku h LEU 79 Cb -0.05 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1nku h LEU 79 CO -0.07 0.62 0.60 0.58 0.09 0.00 0.00 178.44 180.26 1nku h VAL 80 N 0.23 0.76 0.09 1.22 2.07 -0.63 -1.20 116.25 118.79 1nku h VAL 80 Ca 0.03 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1nku h VAL 80 Cb 0.74 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1nku h VAL 80 CO 0.06 0.12 -0.04 -0.61 0.02 0.00 0.00 177.57 177.12 1nku h GLN 81 N 0.68 -0.11 -5.04 1.57 4.15 -1.41 -3.40 115.11 111.54 1nku h GLN 81 Ca 0.50 0.01 -0.64 0.00 0.77 0.00 0.00 58.65 59.29 1nku h GLN 81 Cb 0.87 0.03 -0.16 0.00 0.21 0.00 0.00 27.48 28.43 1nku h GLN 81 CO -0.26 0.28 -0.32 0.34 -1.93 0.00 0.00 178.83 176.95 1nku s ASP 82 N -5.48 6.18 -0.40 -0.69 2.15 -0.45 -4.96 116.67 113.01 1nku s ASP 82 Ca -0.15 0.08 0.06 0.00 0.43 0.00 0.00 52.55 52.97 1nku s ASP 82 Cb 0.02 -2.18 0.43 0.00 -0.30 0.00 0.00 42.92 40.89 1nku s ASP 82 CO 0.63 -0.19 1.12 0.00 -0.17 0.00 0.00 175.17 176.56 1nku n ALA 83 N 5.28 4.95 0.10 3.66 0.00 -1.25 -4.64 120.51 128.61 1nku n ALA 83 Ca -0.10 -4.13 0.19 0.00 0.00 0.00 0.00 53.44 49.40 1nku n ALA 83 Cb 0.51 -0.51 0.61 0.00 0.00 0.00 0.00 19.45 20.06 1nku n ALA 83 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nku h GLY 84 N 2.51 0.00 -1.78 0.00 0.00 -1.93 -3.40 103.07 98.47 1nku h GLY 84 Ca 0.29 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 47.01 1nku h GLY 84 CO 0.80 0.00 -0.61 -0.26 0.00 0.00 0.00 176.54 176.48 1nku s ILE 85 N -4.39 2.14 -0.30 2.60 -4.36 -1.26 -5.01 121.20 110.61 1nku s ILE 85 Ca -0.03 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.08 1nku s ILE 85 Cb 0.12 -2.91 -0.05 0.00 1.25 0.00 0.00 42.46 40.87 1nku s ILE 85 CO 0.41 -0.06 2.16 -0.63 0.24 0.00 0.00 174.94 177.06 1nku s ILE 86 N -2.66 3.11 0.13 8.37 1.01 -1.26 -4.95 121.20 124.96 1nku s ILE 86 Ca 0.35 0.11 0.06 0.00 0.00 0.00 0.00 60.65 61.17 1nku s ILE 86 Cb 0.07 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1nku s ILE 86 CO 0.18 -0.12 -0.02 -0.13 0.00 0.00 0.00 174.94 174.85 1nku s ARG 87 N 6.58 2.41 0.00 2.79 0.52 -1.26 -4.97 118.95 125.01 1nku s ARG 87 Ca 0.95 -1.00 0.08 0.00 -0.52 0.00 0.00 55.73 55.24 1nku s ARG 87 Cb -0.27 -2.41 0.14 0.00 0.52 0.00 0.00 34.95 32.92 1nku s ARG 87 CO 0.33 0.49 0.99 0.72 0.02 0.00 0.00 175.30 177.85 1nku n HIS 88 N 0.25 0.00 0.00 -0.53 8.25 -1.26 -5.02 115.22 116.90 1nku n HIS 88 Ca -0.11 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1nku n HIS 88 Cb 0.54 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.85 1nku n HIS 88 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1nku n ARG 89 N 0.16 0.00 -0.37 -0.41 0.63 -1.26 -2.95 116.66 112.46 1nku n ARG 89 Ca -0.10 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.82 1nku n ARG 89 Cb 0.82 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.86 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 1.45 1.02 5.14 0.00 -2.00 -1.40 103.07 107.28 1nku h GLY 90 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1nku h GLY 90 CO 0.00 0.46 0.53 1.70 0.00 0.00 0.00 176.54 179.23 1nku h LYS 91 N 1.30 1.21 -0.72 4.80 3.11 -1.93 -1.82 116.57 122.52 1nku h LYS 91 Ca 0.39 -0.11 0.03 0.00 -2.81 0.00 0.00 60.65 58.15 1nku h LYS 91 Cb -0.05 -0.25 -0.05 0.00 -1.00 0.00 0.00 32.23 30.88 1nku h LYS 91 CO -0.11 0.85 0.45 0.82 -2.81 0.00 0.00 179.45 178.65 1nku h ILE 92 N 1.23 1.09 -0.72 2.00 2.04 -1.53 -0.13 117.51 121.48 1nku h ILE 92 Ca 0.32 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1nku h ILE 92 Cb -0.04 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 1nku h ILE 92 CO -0.06 0.16 0.47 -0.61 0.00 0.00 0.00 178.15 178.11 1nku h GLN 93 N 0.88 0.62 -1.01 2.37 4.15 -0.83 0.17 115.11 121.47 1nku h GLN 93 Ca 0.29 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.68 1nku h GLN 93 Cb 0.03 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 1nku h GLN 93 CO -0.11 0.41 0.67 0.00 -1.93 0.00 0.00 178.83 177.87 1nku h ALA 94 N 1.63 1.28 -0.38 3.38 0.00 -0.63 -0.91 119.26 123.64 1nku h ALA 94 Ca 0.33 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1nku h ALA 94 Cb 0.43 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1nku h ALA 94 CO -0.11 0.66 0.21 0.82 0.00 0.00 0.00 179.25 180.83 1nku h ILE 95 N 1.36 1.01 -0.85 0.00 2.04 -0.74 -0.98 117.51 119.36 1nku h ILE 95 Ca 0.37 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 1nku h ILE 95 Cb -0.15 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1nku h ILE 95 CO -0.08 0.08 0.53 0.40 0.00 0.00 0.00 178.15 179.07 1nku h ILE 96 N 0.42 1.23 -0.65 -0.67 2.04 -1.14 -2.33 117.51 116.42 1nku h ILE 96 Ca 0.15 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1nku h ILE 96 Cb 0.04 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 1nku h ILE 96 CO -0.09 0.24 0.40 1.23 0.00 0.00 0.00 178.15 179.92 1nku h GLY 97 N 1.16 0.93 1.06 5.37 0.00 -0.39 0.92 103.07 112.12 1nku h GLY 97 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1nku h GLY 97 CO -0.06 0.37 0.61 3.43 0.00 0.00 0.00 176.54 180.89 1nku h ASN 98 N 0.88 1.10 -0.28 0.19 2.35 -0.72 0.12 115.58 119.22 1nku h ASN 98 Ca 0.23 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1nku h ASN 98 Cb -0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1nku h ASN 98 CO -0.05 0.81 -0.23 0.00 -1.65 0.00 0.00 177.43 176.32 1nku h ALA 99 N 1.38 0.41 -0.54 -0.83 0.00 -0.88 0.17 119.26 118.97 1nku h ALA 99 Ca 0.34 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 99 Cb -0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1nku h ALA 99 CO -0.07 0.37 0.34 -0.09 0.00 0.00 0.00 179.25 179.80 1nku h ARG 100 N 0.39 0.73 -0.28 0.00 2.43 -0.22 0.20 114.38 117.63 1nku h ARG 100 Ca 0.05 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1nku h ARG 100 Cb 0.78 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1nku h ARG 100 CO 0.06 0.51 -0.41 0.00 -1.51 0.00 0.00 179.97 178.61 1nku h ALA 101 N 1.18 0.76 -0.19 2.80 0.00 -0.70 -1.86 119.26 121.25 1nku h ALA 101 Ca 0.20 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1nku h ALA 101 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nku h ALA 101 CO -0.04 0.66 0.07 -0.92 0.00 0.00 0.00 179.25 179.02 1nku h TYR 102 N 0.55 0.30 -0.57 0.00 5.03 -0.01 -1.08 116.97 121.20 1nku h TYR 102 Ca 0.04 -0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 1nku h TYR 102 Cb 0.95 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 1nku h TYR 102 CO 0.04 0.36 0.07 1.25 -1.32 0.00 0.00 178.16 178.57 1nku h LEU 103 N 0.15 0.92 -1.02 2.82 5.85 -0.59 -2.54 115.31 120.90 1nku h LEU 103 Ca 0.06 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1nku h LEU 103 Cb 0.19 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1nku h LEU 103 CO -0.00 0.96 0.50 -0.61 -0.34 0.00 0.00 178.44 178.95 1nku h GLN 104 N 0.85 1.18 -0.78 1.25 -0.00 -1.18 -1.77 115.11 114.64 1nku h GLN 104 Ca 0.17 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.65 58.68 1nku h GLN 104 Cb 0.45 -0.24 -0.04 0.00 0.00 0.00 0.00 27.48 27.65 1nku h GLN 104 CO 0.02 0.84 0.40 1.98 0.00 0.00 0.00 178.83 182.07 1nku h MET 105 N 1.19 1.10 -0.13 1.69 4.05 -0.85 -1.50 114.93 120.49 1nku h MET 105 Ca 0.31 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1nku h MET 105 Cb -0.02 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 1nku h MET 105 CO -0.05 0.83 0.02 1.49 0.23 0.00 0.00 176.91 179.42 1nku h GLU 106 N 1.10 0.18 -0.60 0.39 4.81 -0.93 -0.86 114.58 118.67 1nku h GLU 106 Ca 0.27 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.66 1nku h GLU 106 Cb 0.07 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1nku h GLU 106 CO -0.04 0.18 0.46 1.96 -0.73 0.00 0.00 179.01 180.84 1nku h GLN 107 N 0.18 0.00 0.00 1.92 1.08 -0.98 1.33 115.11 118.65 1nku h GLN 107 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1nku h GLN 107 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1nku h GLN 107 CO -0.00 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.97 1nku n ASN 108 N -4.21 0.59 0.00 1.46 3.02 -0.33 -4.88 115.26 110.91 1nku n ASN 108 Ca 0.11 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1nku n ASN 108 Cb 0.70 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nku n GLY 109 N 0.92 0.42 3.25 7.41 0.00 0.46 -5.02 105.19 112.64 1nku n GLY 109 Ca 0.05 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1nku n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nku s GLU 110 N -1.69 2.55 0.25 1.61 2.12 -1.26 -5.07 118.70 117.21 1nku s GLU 110 Ca 0.00 -1.36 -0.30 0.00 0.36 0.00 0.00 54.97 53.67 1nku s GLU 110 Cb 0.00 -3.60 -0.14 0.00 0.26 0.00 0.00 34.13 30.65 1nku s GLU 110 CO 0.00 -0.82 1.15 -2.30 -0.54 0.00 0.00 175.26 172.75 1nku n PRO 111 N 4.83 1.49 -0.11 4.30 -0.02 -1.26 -4.60 135.00 139.63 1nku n PRO 111 Ca -0.10 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 1nku n PRO 111 Cb 0.44 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.82 0.54 -0.77 6.00 3.57 -1.95 -1.72 116.94 125.43 1nku h PHE 112 Ca -0.42 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 1nku h PHE 112 Cb 1.32 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1nku h PHE 112 CO 0.51 0.54 0.36 0.00 -2.23 0.00 0.00 178.31 177.49 1nku h ALA 113 N 0.94 1.00 -0.37 2.41 0.00 -1.90 -1.85 119.26 119.49 1nku h ALA 113 Ca 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nku h ALA 113 Cb 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nku h ALA 113 CO -0.00 0.57 0.07 0.22 0.00 0.00 0.00 179.25 180.11 1nku h ASP 114 N 1.09 0.50 0.01 0.00 3.58 -1.86 -1.86 116.42 117.88 1nku h ASP 114 Ca 0.26 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.65 1nku h ASP 114 Cb 0.14 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1nku h ASP 114 CO -0.03 0.52 -0.04 0.15 -2.88 0.00 0.00 179.24 176.96 1nku h PHE 115 N 0.53 -0.10 -0.46 0.28 3.57 -0.46 -0.12 116.94 120.18 1nku h PHE 115 Ca 0.12 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1nku h PHE 115 Cb 0.24 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1nku h PHE 115 CO 0.01 -0.07 -0.16 -0.39 -2.23 0.00 0.00 178.31 175.47 1nku h VAL 116 N -0.08 1.27 -0.77 1.41 -1.51 -1.28 -2.64 116.25 112.64 1nku h VAL 116 Ca 0.02 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 1nku h VAL 116 Cb 0.10 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.30 1nku h VAL 116 CO -0.04 0.44 0.49 -0.50 -1.23 0.00 0.00 177.57 176.73 1nku h TRP 117 N 0.78 0.99 -0.25 5.19 4.06 -0.99 -1.44 115.95 124.30 1nku h TRP 117 Ca 0.12 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 1nku h TRP 117 Cb 0.69 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1nku h TRP 117 CO 0.04 0.64 -0.08 0.66 -3.56 0.00 0.00 178.44 176.14 1nku h SER 118 N 1.06 0.38 0.00 -3.49 4.64 -0.67 0.49 113.55 115.96 1nku h SER 118 Ca 0.28 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1nku h SER 118 Cb -0.08 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1nku h SER 118 CO -0.06 0.51 -0.04 -0.26 -0.87 0.00 0.00 176.83 176.11 1nku h PHE 119 N 0.38 0.09 -0.53 4.77 -1.00 -1.03 -0.75 116.94 118.87 1nku h PHE 119 Ca 0.08 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 1nku h PHE 119 Cb 0.39 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1nku h PHE 119 CO 0.01 0.14 0.04 1.33 -1.61 0.00 0.00 178.31 178.22 1nku n VAL 120 N -4.44 2.70 -3.45 -0.55 0.24 -0.81 -4.91 118.33 107.11 1nku n VAL 120 Ca -0.02 -1.58 -0.25 0.00 -2.04 0.00 0.00 64.34 60.45 1nku n VAL 120 Cb 0.15 -0.29 0.04 0.00 -1.47 0.00 0.00 33.84 32.28 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nku n ASN 121 N 0.21 -5.68 -2.45 -1.34 5.03 -0.29 -1.11 115.26 109.62 1nku n ASN 121 Ca 0.29 -0.49 -0.06 0.00 0.87 0.00 0.00 54.58 55.18 1nku n ASN 121 Cb 1.17 -4.54 -0.00 0.00 -1.02 0.00 0.00 39.78 35.38 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 -4.66 -1.68 -4.04 3.10 -0.00 0.17 -4.87 115.22 103.23 1nku n HIS 122 Ca -0.03 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.84 1nku n HIS 122 Cb 0.57 -1.91 -0.15 0.00 -0.12 0.00 0.00 29.99 28.38 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 -4.98 1.76 0.68 1.57 0.74 -0.27 -5.08 119.66 114.07 1nku s GLN 123 Ca 0.00 -1.68 -0.17 0.00 0.05 0.00 0.00 55.36 53.56 1nku s GLN 123 Cb 0.00 -3.09 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1nku s GLN 123 CO 0.00 -0.80 1.27 -2.14 -0.55 0.00 0.00 175.29 173.07 1nku s PRO 124 N 0.98 2.40 0.04 1.67 0.02 -1.26 -4.93 135.00 133.91 1nku s PRO 124 Ca 0.04 1.98 0.02 0.00 0.02 0.00 0.00 61.00 63.06 1nku s PRO 124 Cb -0.19 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1nku s PRO 124 CO -0.07 -1.70 0.04 -0.65 -0.33 0.00 0.00 177.00 174.29 1nku s GLN 125 N -3.53 2.83 0.20 5.54 -0.21 -0.98 -5.00 119.66 118.51 1nku s GLN 125 Ca 0.80 -0.65 0.10 0.00 0.02 0.00 0.00 55.36 55.63 1nku s GLN 125 Cb -0.35 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1nku s GLN 125 CO 0.41 0.60 -0.13 0.00 -2.12 0.00 0.00 175.29 174.05 1nku s MET 126 N -1.99 1.91 0.07 2.91 0.23 -1.26 0.38 119.30 121.55 1nku s MET 126 Ca 0.24 -1.40 0.02 0.00 -1.03 0.00 0.00 55.69 53.52 1nku s MET 126 Cb -0.12 -2.04 -0.04 0.00 -1.53 0.00 0.00 34.83 31.10 1nku s MET 126 CO 0.16 0.41 0.13 -0.08 -2.03 0.00 0.00 175.02 173.60 1nku s THR 127 N -1.85 4.85 -0.25 3.16 -1.32 -0.74 -4.84 115.64 114.65 1nku s THR 127 Ca 0.25 -0.61 0.22 0.00 -1.21 0.00 0.00 61.69 60.34 1nku s THR 127 Cb -0.08 -3.34 0.49 0.00 -1.51 0.00 0.00 72.50 68.05 1nku s THR 127 CO 0.14 0.15 1.17 0.00 -2.21 0.00 0.00 174.62 173.87 1nku n GLN 128 N 0.45 1.56 -3.62 7.08 1.13 -1.26 -4.96 117.38 117.74 1nku n GLN 128 Ca -0.08 -3.07 -0.20 0.00 -1.94 0.00 0.00 57.00 51.71 1nku n GLN 128 Cb 0.51 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.64 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nku s ALA 129 N -2.98 4.02 -0.15 -1.58 0.00 -1.26 -5.04 121.76 114.77 1nku s ALA 129 Ca 0.25 -1.70 0.18 0.00 0.00 0.00 0.00 51.96 50.68 1nku s ALA 129 Cb 0.34 -1.23 -0.25 0.00 0.00 0.00 0.00 23.12 21.98 1nku s ALA 129 CO -0.06 -0.09 0.16 2.41 0.00 0.00 0.00 175.76 178.18 1nku n THR 130 N -1.50 0.98 -4.31 0.00 -1.04 -1.26 -4.01 114.28 103.15 1nku n THR 130 Ca 0.01 -0.72 -0.23 0.00 -2.04 0.00 0.00 64.05 61.06 1nku n THR 130 Cb 0.60 -0.37 -0.12 0.00 -1.82 0.00 0.00 70.33 68.62 1nku n THR 130 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nku s THR 131 N -2.70 1.79 0.43 12.58 2.01 -1.26 -4.78 115.64 123.71 1nku s THR 131 Ca -0.09 -1.71 0.09 0.00 0.31 0.00 0.00 61.69 60.30 1nku s THR 131 Cb 0.07 -1.70 0.24 0.00 0.01 0.00 0.00 72.50 71.13 1nku s THR 131 CO 0.80 -0.15 2.04 -0.07 -0.69 0.00 0.00 174.62 176.55 1nku h LEU 132 N 3.73 0.32 -1.51 4.42 3.38 -1.95 -1.59 115.31 122.11 1nku h LEU 132 Ca -0.45 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1nku h LEU 132 Cb 1.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1nku h LEU 132 CO 0.44 0.29 -0.07 0.77 0.09 0.00 0.00 178.44 179.96 1nku h SER 133 N 0.37 0.22 0.07 -0.43 4.64 -2.02 -1.97 113.55 114.43 1nku h SER 133 Ca 0.10 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1nku h SER 133 Cb 0.05 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1nku h SER 133 CO -0.01 0.32 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.81 1nku h GLU 134 N 0.23 0.14 -6.45 4.77 5.08 -1.70 -3.41 114.58 113.24 1nku h GLU 134 Ca 0.05 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.84 1nku h GLU 134 Cb 0.27 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1nku h GLU 134 CO 0.01 0.28 0.74 0.42 -1.00 0.00 0.00 179.01 179.47 1nku s ILE 135 N -4.73 3.65 0.26 3.13 1.01 -0.74 -4.98 121.20 118.80 1nku s ILE 135 Ca -0.05 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.43 1nku s ILE 135 Cb 0.16 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 1nku s ILE 135 CO 0.72 0.04 1.21 -2.16 0.00 0.00 0.00 174.94 174.75 1nku s PRO 136 N 1.72 4.49 0.00 2.79 0.04 -1.26 -4.92 135.00 137.85 1nku s PRO 136 Ca 0.63 1.98 0.25 0.00 0.04 0.00 0.00 61.00 63.90 1nku s PRO 136 Cb -0.33 -3.17 0.47 0.00 0.04 0.00 0.00 34.50 31.52 1nku s PRO 136 CO 0.28 -0.04 1.41 -2.37 0.04 0.00 0.00 177.00 176.32 1nku n THR 137 N 1.57 0.00 -3.69 1.26 5.66 -1.26 -4.67 114.28 113.15 1nku n THR 137 Ca 0.01 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.34 1nku n THR 137 Cb 0.44 1.11 -0.14 0.00 -1.55 0.00 0.00 70.33 70.18 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1nku s SER 138 N -2.07 3.71 0.15 1.09 0.15 -1.26 -4.78 113.70 110.68 1nku s SER 138 Ca 0.30 -2.25 -0.02 0.00 0.70 0.00 0.00 55.95 54.68 1nku s SER 138 Cb 0.20 -0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 63.55 1nku s SER 138 CO 0.35 -0.32 0.35 0.42 1.20 0.00 0.00 173.24 175.23 1nku s THR 139 N 0.85 5.22 0.39 6.45 -4.23 -1.26 -4.98 115.64 118.09 1nku s THR 139 Ca 0.15 -0.19 0.18 0.00 -1.18 0.00 0.00 61.69 60.66 1nku s THR 139 Cb -0.22 -3.66 0.39 0.00 1.34 0.00 0.00 72.50 70.35 1nku s THR 139 CO -0.08 -0.01 1.75 -0.65 -0.54 0.00 0.00 174.62 175.09 1nku h PRO 140 N 2.59 0.37 -0.38 3.99 0.11 -2.00 0.23 132.00 136.92 1nku h PRO 140 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1nku h PRO 140 Cb 1.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1nku h PRO 140 CO 0.72 0.25 -0.23 0.00 -0.21 0.00 0.00 178.00 178.53 1nku h ALA 141 N 1.63 0.89 -0.67 -0.75 0.00 -1.93 -2.17 119.26 116.26 1nku h ALA 141 Ca 0.62 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1nku h ALA 141 Cb 1.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1nku h ALA 141 CO -0.33 0.63 0.16 0.66 0.00 0.00 0.00 179.25 180.37 1nku h SER 142 N 0.65 1.02 -0.15 0.00 4.64 -0.95 0.85 113.55 119.61 1nku h SER 142 Ca 0.09 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1nku h SER 142 Cb 0.73 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1nku h SER 142 CO 0.06 0.99 0.01 0.44 -0.87 0.00 0.00 176.83 177.46 1nku h ASP 143 N 1.00 0.26 -0.22 4.97 3.32 -1.27 -1.40 116.42 123.08 1nku h ASP 143 Ca 0.21 -0.28 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 1nku h ASP 143 Cb 0.37 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1nku h ASP 143 CO 0.00 0.47 -0.52 0.00 -1.72 0.00 0.00 179.24 177.47 1nku h ALA 144 N 0.79 0.55 -0.24 3.45 0.00 -1.25 -2.90 119.26 119.65 1nku h ALA 144 Ca 0.05 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1nku h ALA 144 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1nku h ALA 144 CO 0.01 0.68 0.10 1.25 0.00 0.00 0.00 179.25 181.29 1nku h LEU 145 N 0.62 0.13 -0.96 0.00 5.85 0.83 -1.32 115.31 120.46 1nku h LEU 145 Ca 0.02 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1nku h LEU 145 Cb 1.11 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 1nku h LEU 145 CO 0.11 0.11 0.64 0.28 -0.34 0.00 0.00 178.44 179.23 1nku h SER 146 N 0.22 1.10 -0.73 1.25 0.02 -1.24 -1.08 113.55 113.08 1nku h SER 146 Ca 0.10 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1nku h SER 146 Cb 0.06 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 1nku h SER 146 CO -0.09 0.79 0.36 0.50 -1.14 0.00 0.00 176.83 177.25 1nku h LYS 147 N 1.29 1.07 0.09 3.45 3.64 -1.19 0.25 116.57 125.17 1nku h LYS 147 Ca 0.35 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1nku h LYS 147 Cb -0.14 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.49 1nku h LYS 147 CO -0.08 0.82 -0.04 0.00 -2.27 0.00 0.00 179.45 177.88 1nku h ALA 148 N 1.33 -0.12 -0.30 5.00 0.00 -0.31 -2.49 119.26 122.38 1nku h ALA 148 Ca 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nku h ALA 148 Cb 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nku h ALA 148 CO -0.03 -0.38 0.06 -0.07 0.00 0.00 0.00 179.25 178.83 1nku h LEU 149 N -0.48 0.39 -0.62 0.00 3.38 -1.06 -2.07 115.31 114.86 1nku h LEU 149 Ca -0.01 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nku h LEU 149 Cb 0.41 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1nku h LEU 149 CO 0.02 0.41 0.37 0.50 0.09 0.00 0.00 178.44 179.83 1nku h LYS 150 N 0.43 0.70 -0.33 1.13 3.64 -0.29 -0.80 116.57 121.04 1nku h LYS 150 Ca 0.10 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1nku h LYS 150 Cb 0.18 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1nku h LYS 150 CO -0.00 0.46 -0.00 0.87 -2.27 0.00 0.00 179.45 178.51 1nku h LYS 151 N 0.72 0.51 0.00 1.90 1.57 -0.93 -1.25 116.57 119.09 1nku h LYS 151 Ca 0.25 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1nku h LYS 151 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1nku h LYS 151 CO -0.12 0.54 0.00 -0.09 -0.57 0.00 0.00 179.45 179.21 1nku h ARG 152 N 0.49 0.00 0.00 3.15 9.65 -0.81 -3.45 114.38 123.40 1nku h ARG 152 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1nku h ARG 152 Cb 0.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1nku h ARG 152 CO 0.01 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.19 1nku n GLY 153 N -0.68 1.98 3.71 2.80 0.00 -0.47 -4.89 105.19 107.64 1nku n GLY 153 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 3.45 0.23 1.61 0.40 -1.08 -4.83 117.98 115.76 1nku s PHE 154 Ca 0.00 0.68 -0.01 0.00 -0.60 0.00 0.00 56.93 57.01 1nku s PHE 154 Cb 0.00 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1nku s PHE 154 CO 0.00 0.14 0.43 0.21 0.70 0.00 0.00 175.22 176.70 1nku s LYS 155 N 0.77 3.53 -0.95 0.44 2.47 -1.26 -4.31 119.74 120.42 1nku s LYS 155 Ca 0.20 -0.32 -0.05 0.00 -1.56 0.00 0.00 55.97 54.24 1nku s LYS 155 Cb -0.14 -2.79 0.01 0.00 -1.46 0.00 0.00 37.83 33.44 1nku s LYS 155 CO 0.07 0.35 0.72 1.19 0.16 0.00 0.00 175.35 177.83 1nku n PHE 156 N -0.88 -1.82 -1.16 4.03 3.72 -1.26 -4.91 117.46 115.19 1nku n PHE 156 Ca -0.05 0.61 -0.03 0.00 -0.05 0.00 0.00 57.45 57.94 1nku n PHE 156 Cb 0.54 -3.66 0.25 0.00 -0.94 0.00 0.00 39.48 35.68 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 -4.18 2.69 -1.08 -4.37 3.14 -1.26 -4.55 118.33 108.72 1nku n VAL 157 Ca -0.01 -2.03 -0.37 0.00 -2.96 0.00 0.00 64.34 58.97 1nku n VAL 157 Cb 0.55 -0.33 0.04 0.00 -1.06 0.00 0.00 33.84 33.04 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 -0.60 -3.87 0.34 7.55 0.00 -1.26 -4.47 105.19 102.89 1nku n GLY 158 Ca 0.35 -0.59 0.17 0.00 0.00 0.00 0.00 46.02 45.96 1nku n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku h THR 159 N -0.70 0.63 -0.33 2.61 1.03 -1.96 -0.00 112.91 114.19 1nku h THR 159 Ca -0.43 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.82 1nku h THR 159 Cb 1.35 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 1nku h THR 159 CO 0.31 0.00 -0.37 0.71 -0.01 0.00 0.00 175.52 176.15 1nku h THR 160 N 0.00 1.28 -0.41 0.00 1.35 -1.89 -2.44 112.91 110.81 1nku h THR 160 Ca 0.14 -1.54 -0.05 0.00 -0.55 0.00 0.00 66.41 64.41 1nku h THR 160 Cb 0.65 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1nku h THR 160 CO -0.00 0.50 0.07 0.40 -0.25 0.00 0.00 175.52 176.24 1nku h ILE 161 N 0.64 1.24 -0.51 6.82 5.03 -1.27 -2.11 117.51 127.36 1nku h ILE 161 Ca 0.06 -0.86 0.01 0.00 -0.12 0.00 0.00 64.86 63.95 1nku h ILE 161 Cb 0.92 1.02 -0.03 0.00 -3.03 0.00 0.00 36.82 35.70 1nku h ILE 161 CO 0.08 0.30 0.33 0.00 -0.68 0.00 0.00 178.15 178.18 1nku h TYR 163 N 0.67 0.97 -0.87 0.00 3.20 -1.26 -2.14 116.97 117.55 1nku h TYR 163 Ca 0.19 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1nku h TYR 163 Cb -0.06 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 1nku h TYR 163 CO -0.04 0.65 0.50 1.03 -1.64 0.00 0.00 178.16 178.65 1nku h SER 164 N 1.01 1.06 -0.86 -2.11 0.87 -0.88 -2.08 113.55 110.56 1nku h SER 164 Ca 0.27 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1nku h SER 164 Cb -0.05 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.60 1nku h SER 164 CO -0.05 0.84 0.52 0.15 -0.53 0.00 0.00 176.83 177.76 1nku h PHE 165 N 1.20 1.14 -0.87 2.24 3.57 -0.76 -0.99 116.94 122.47 1nku h PHE 165 Ca 0.31 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.85 1nku h PHE 165 Cb -0.00 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.31 1nku h PHE 165 CO 0.00 0.76 0.57 0.52 -2.23 0.00 0.00 178.31 177.93 1nku h MET 166 N 1.19 1.00 -0.12 1.11 2.86 -0.77 0.17 114.93 120.36 1nku h MET 166 Ca 0.31 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1nku h MET 166 Cb -0.05 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 1nku h MET 166 CO -0.06 0.66 -0.14 0.37 1.06 0.00 0.00 176.91 178.80 1nku h GLN 167 N 1.03 0.30 -0.18 1.72 4.15 -0.88 -2.58 115.11 118.67 1nku h GLN 167 Ca 0.36 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1nku h GLN 167 Cb 0.11 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1nku h GLN 167 CO -0.12 0.72 -0.09 0.00 -1.93 0.00 0.00 178.83 177.41 1nku h ALA 168 N 0.58 0.26 -0.47 3.38 0.00 -0.76 -3.12 119.26 119.12 1nku h ALA 168 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1nku h ALA 168 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1nku h ALA 168 CO 0.03 0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.60 1nku n GLY 170 N -1.26 0.86 0.39 0.00 0.00 -0.99 -1.64 105.19 102.56 1nku n GLY 170 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 0.35 -8.88 0.99 4.07 -1.79 -3.35 115.31 106.70 1nku h LEU 171 Ca 0.00 0.03 -0.67 0.00 0.08 0.00 0.00 57.88 57.32 1nku h LEU 171 Cb 0.00 -0.04 -0.22 0.00 1.08 0.00 0.00 40.66 41.48 1nku h LEU 171 CO 0.00 0.16 -0.86 0.68 -1.08 0.00 0.00 178.44 177.34 1nku s VAL 172 N -5.37 2.19 -0.53 1.22 -7.23 -1.25 -2.32 120.40 107.11 1nku s VAL 172 Ca -0.08 -1.74 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 1nku s VAL 172 Cb 0.22 -1.95 0.11 0.00 0.56 0.00 0.00 36.38 35.32 1nku s VAL 172 CO 0.77 0.06 0.51 0.21 -0.31 0.00 0.00 175.10 176.34 1nku s ASN 173 N -2.06 6.18 -0.49 4.85 2.47 0.16 -4.85 114.94 121.20 1nku s ASN 173 Ca 0.13 -1.63 0.04 0.00 0.42 0.00 0.00 52.86 51.82 1nku s ASN 173 Cb -0.10 -2.22 0.13 0.00 -1.45 0.00 0.00 41.25 37.61 1nku s ASN 173 CO 0.06 -0.85 0.23 1.51 -3.72 0.00 0.00 177.10 174.33 1nku s ASP 174 N 3.38 4.36 0.00 -4.21 -4.77 -1.26 -1.79 116.67 112.38 1nku s ASP 174 Ca 0.04 -2.87 0.00 0.00 -3.30 0.00 0.00 52.55 46.42 1nku s ASP 174 Cb -0.28 -1.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.93 1nku s ASP 174 CO 0.04 -0.25 0.00 1.41 0.70 0.00 0.00 175.17 177.07 1nku n HIS 175 N 3.30 0.00 0.00 2.11 8.25 -1.26 -5.04 115.22 122.58 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 1.55 0.64 0.00 0.00 176.34 178.53 1nku n VAL 176 N -2.35 0.00 -1.89 1.59 3.14 -1.26 -4.19 118.33 113.37 1nku n VAL 176 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1nku n VAL 176 Cb 0.48 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.23 1nku n VAL 176 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1nku s VAL 177 N -1.45 2.45 0.00 1.55 -7.23 -1.26 -2.30 120.40 112.16 1nku s VAL 177 Ca 0.00 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1nku s VAL 177 Cb 0.00 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1nku s VAL 177 CO 0.00 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1nku n GLY 178 N 3.44 0.85 3.56 2.32 0.00 -1.25 -4.99 105.19 109.11 1nku n GLY 178 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 0.29 3.39 -0.15 0.00 5.04 -1.22 -4.92 117.35 119.77 1nku s TYR 182 Ca 0.27 -3.27 -0.23 0.00 -2.44 0.00 0.00 57.07 51.40 1nku s TYR 182 Cb 0.20 -2.58 -0.20 0.00 0.35 0.00 0.00 41.96 39.73 1nku s TYR 182 CO -0.11 -0.57 0.50 -1.00 -1.34 0.00 0.00 175.55 173.03 1nku h PRO 183 N 5.42 0.00 0.00 4.97 0.13 -1.96 -3.34 132.00 137.21 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 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1nku h PRO 183 CO 0.69 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.73 1nku n GLY 184 N 1.58 0.75 3.33 1.56 0.00 -1.26 -4.06 105.19 107.09 1nku n GLY 184 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1nku n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nku n ASN 185 N 0.00 -5.52 -3.16 1.61 2.85 -1.26 -4.92 115.26 104.86 1nku n ASN 185 Ca 0.00 -0.43 -0.18 0.00 -0.11 0.00 0.00 54.58 53.86 1nku n ASN 185 Cb 0.00 -4.44 -0.06 0.00 1.24 0.00 0.00 39.78 36.52 1nku n ASN 185 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1nku s LYS 186 N -6.02 0.96 0.00 1.20 2.20 -1.26 -5.34 119.74 111.48 1nku s LYS 186 Ca 0.43 -1.68 0.32 0.00 -0.36 0.00 0.00 55.97 54.68 1nku s LYS 186 Cb -0.20 -0.88 1.81 0.00 -1.51 0.00 0.00 37.83 37.05 1nku s LYS 186 CO 0.53 -1.36 2.18 -0.35 -0.36 0.00 0.00 175.35 175.99