#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 3.85 0.27 2.12 -1.05 -1.26 -5.00 118.70 117.63 1nku s GLU 2 Ca 0.00 1.27 -0.07 0.00 -0.15 0.00 0.00 54.97 56.02 1nku s GLU 2 Cb 0.00 -2.11 -0.01 0.00 -0.44 0.00 0.00 34.13 31.57 1nku s GLU 2 CO 0.00 -0.38 0.41 -0.98 0.95 0.00 0.00 175.26 175.26 1nku s ARG 3 N -3.37 1.62 0.60 -4.83 1.70 -1.26 -3.92 118.95 109.47 1nku s ARG 3 Ca 0.65 -1.51 -0.18 0.00 -0.47 0.00 0.00 55.73 54.22 1nku s ARG 3 Cb -0.14 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 1nku s ARG 3 CO 0.21 -0.65 0.33 0.00 -1.08 0.00 0.00 175.30 174.11 1nku n GLY 5 N 1.98 -0.67 0.00 0.00 0.00 -1.26 -4.39 105.19 100.85 1nku n GLY 5 Ca 0.10 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.13 0.00 -1.69 1.61 2.14 -1.26 -4.81 117.44 111.30 1nku n TRP 6 Ca -0.07 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.05 1nku n TRP 6 Cb 0.52 -0.21 -0.04 0.00 -0.81 0.00 0.00 31.31 30.77 1nku n TRP 6 CO 0.00 0.00 0.00 1.33 2.07 0.00 0.00 177.69 181.09 1nku n VAL 7 N -1.21 0.13 -2.00 -1.67 0.24 -1.26 -4.95 118.33 107.61 1nku n VAL 7 Ca 0.14 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.34 62.09 1nku n VAL 7 Cb 0.17 -1.71 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 1nku n VAL 7 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1nku s SER 8 N 0.93 6.24 0.38 -1.34 1.04 -1.26 -4.94 113.70 114.75 1nku s SER 8 Ca 0.76 1.50 0.06 0.00 0.48 0.00 0.00 55.95 58.75 1nku s SER 8 Cb -0.61 -2.49 0.77 0.00 0.10 0.00 0.00 66.02 63.79 1nku s SER 8 CO 0.37 -0.86 1.99 1.56 0.98 0.00 0.00 173.24 177.29 1nku h GLN 9 N 0.03 0.52 -6.08 4.02 4.20 -1.98 -3.41 115.11 112.41 1nku h GLN 9 Ca -0.45 -0.06 -0.66 0.00 0.06 0.00 0.00 58.65 57.54 1nku h GLN 9 Cb 1.19 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1nku h GLN 9 CO 0.61 0.43 1.27 -0.25 -0.67 0.00 0.00 178.83 180.21 1nku n ASP 10 N -4.40 2.58 0.10 1.46 8.00 -1.26 -4.77 116.55 118.26 1nku n ASP 10 Ca 0.02 0.64 0.20 0.00 0.71 0.00 0.00 54.79 56.36 1nku n ASP 10 Cb 0.13 -1.29 0.70 0.00 -0.02 0.00 0.00 41.12 40.63 1nku n ASP 10 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1nku h PRO 11 N 11.02 0.00 -0.80 -0.24 0.11 -2.00 -0.29 132.00 139.80 1nku h PRO 11 Ca -0.37 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 1nku h PRO 11 Cb 1.30 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 1nku h PRO 11 CO 0.99 0.00 0.35 1.25 -0.21 0.00 0.00 178.00 180.37 1nku h LEU 12 N 0.00 1.08 -0.04 2.35 5.85 -1.92 0.34 115.31 122.96 1nku h LEU 12 Ca 0.20 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1nku h LEU 12 Cb 1.28 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1nku h LEU 12 CO -0.00 0.94 -0.01 0.22 -0.34 0.00 0.00 178.44 179.25 1nku h TYR 13 N 1.15 0.09 -0.55 1.25 5.03 -1.35 -1.29 116.97 121.30 1nku h TYR 13 Ca 0.27 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 1nku h TYR 13 Cb 0.18 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 1nku h TYR 13 CO 0.02 0.41 0.25 0.82 -1.32 0.00 0.00 178.16 178.34 1nku h ILE 14 N -0.26 1.19 -0.61 1.81 2.04 -1.51 0.27 117.51 120.45 1nku h ILE 14 Ca 0.01 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1nku h ILE 14 Cb 0.38 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1nku h ILE 14 CO 0.00 0.23 0.30 0.00 0.00 0.00 0.00 178.15 178.68 1nku h ALA 15 N 1.49 0.78 -0.42 1.87 0.00 -0.14 -1.59 119.26 121.26 1nku h ALA 15 Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 15 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1nku h ALA 15 CO -0.02 0.33 -0.13 -0.92 0.00 0.00 0.00 179.25 178.51 1nku h TYR 16 N 0.83 0.83 -0.38 0.00 3.20 -0.17 0.27 116.97 121.55 1nku h TYR 16 Ca 0.21 -0.16 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1nku h TYR 16 Cb 0.10 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1nku h TYR 16 CO -0.00 0.84 0.13 1.25 -1.64 0.00 0.00 178.16 178.74 1nku h HIS 17 N 0.68 0.23 0.09 -3.82 2.76 0.37 0.99 115.15 116.45 1nku h HIS 17 Ca 0.11 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 1nku h HIS 17 Cb 0.61 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.53 1nku h HIS 17 CO 0.03 0.09 -0.54 -0.44 -1.30 0.00 0.00 177.93 175.76 1nku h ASP 18 N 0.28 0.32 -0.98 3.26 3.32 -1.12 -3.34 116.42 118.16 1nku h ASP 18 Ca 0.17 -0.97 0.04 0.00 0.02 0.00 0.00 57.03 56.30 1nku h ASP 18 Cb 0.15 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1nku h ASP 18 CO -0.18 1.26 0.64 0.78 -1.72 0.00 0.00 179.24 180.02 1nku h ASN 19 N -0.58 1.05 0.00 6.45 2.35 -0.39 -3.46 115.58 121.00 1nku h ASN 19 Ca -0.09 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1nku h ASN 19 Cb 1.43 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1nku h ASN 19 CO 0.10 0.71 0.00 -0.62 -1.65 0.00 0.00 177.43 175.98 1nku n GLU 20 N -4.47 0.00 -2.50 0.81 1.02 0.33 -5.02 120.64 110.81 1nku n GLU 20 Ca 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 1nku n GLU 20 Cb 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.51 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 -3.36 0.00 -0.32 -0.00 -1.24 -4.35 117.44 108.17 1nku n TRP 21 Ca 0.00 1.98 0.00 0.00 -0.00 0.00 0.00 57.50 59.48 1nku n TRP 21 Cb 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 31.31 28.24 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 1.93 3.21 3.74 5.87 0.00 -1.08 -4.88 105.19 113.98 1nku n GLY 22 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.89 3.76 0.09 1.61 -7.23 -1.26 -4.48 120.40 110.00 1nku s VAL 23 Ca 0.00 1.57 -0.31 0.00 -1.81 0.00 0.00 61.98 61.43 1nku s VAL 23 Cb 0.00 -4.00 -0.08 0.00 0.56 0.00 0.00 36.38 32.86 1nku s VAL 23 CO 0.00 0.29 1.58 -2.16 -0.31 0.00 0.00 175.10 174.50 1nku s PRO 24 N -0.58 4.22 -0.17 4.82 0.04 -1.25 -3.39 135.00 138.69 1nku s PRO 24 Ca 0.49 2.27 -0.01 0.00 0.04 0.00 0.00 61.00 63.79 1nku s PRO 24 Cb -0.30 -3.46 -0.00 0.00 0.04 0.00 0.00 34.50 30.78 1nku s PRO 24 CO 0.36 -0.66 -0.13 -1.21 0.04 0.00 0.00 177.00 175.41 1nku s GLU 25 N 2.10 3.25 0.00 4.56 2.02 0.13 -4.97 118.70 125.79 1nku s GLU 25 Ca 0.71 -0.72 0.13 0.00 0.02 0.00 0.00 54.97 55.11 1nku s GLU 25 Cb -0.39 -2.73 0.13 0.00 0.10 0.00 0.00 34.13 31.24 1nku s GLU 25 CO 0.31 -0.06 0.95 0.25 0.02 0.00 0.00 175.26 176.74 1nku n THR 26 N 4.30 0.10 -2.57 3.63 -2.24 -1.26 -4.92 114.28 111.32 1nku n THR 26 Ca -0.19 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.61 1nku n THR 26 Cb 0.51 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -1.08 7.01 0.36 3.42 1.01 -1.26 -4.87 116.67 121.26 1nku s ASP 27 Ca 0.16 1.44 0.05 0.00 0.71 0.00 0.00 52.55 54.91 1nku s ASP 27 Cb 0.11 -2.54 0.67 0.00 1.01 0.00 0.00 42.92 42.17 1nku s ASP 27 CO 0.17 -0.74 1.92 0.77 0.21 0.00 0.00 175.17 177.49 1nku h SER 28 N 7.85 0.48 0.10 0.27 4.64 -1.97 0.15 113.55 125.06 1nku h SER 28 Ca -0.22 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1nku h SER 28 Cb 1.08 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1nku h SER 28 CO 0.99 0.50 -0.05 0.11 -0.87 0.00 0.00 176.83 177.51 1nku h LYS 29 N 0.51 -0.13 -0.55 4.77 1.57 -1.98 0.52 116.57 121.27 1nku h LYS 29 Ca 0.12 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1nku h LYS 29 Cb 0.24 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1nku h LYS 29 CO 0.00 0.04 -0.07 0.87 -0.57 0.00 0.00 179.45 179.72 1nku h LYS 30 N -0.28 1.03 -0.25 3.15 1.57 -1.91 -1.14 116.57 118.74 1nku h LYS 30 Ca -0.01 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1nku h LYS 30 Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1nku h LYS 30 CO 0.02 1.05 0.12 1.25 -0.57 0.00 0.00 179.45 181.32 1nku h LEU 31 N 0.91 0.33 -0.73 2.94 5.85 -0.51 0.36 115.31 124.45 1nku h LEU 31 Ca 0.15 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1nku h LEU 31 Cb 0.64 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1nku h LEU 31 CO 0.04 0.36 0.40 0.15 -0.34 0.00 0.00 178.44 179.05 1nku h PHE 32 N 0.27 1.01 -0.05 1.25 3.57 0.17 -2.11 116.94 121.04 1nku h PHE 32 Ca 0.08 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 1nku h PHE 32 Cb 0.13 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1nku h PHE 32 CO -0.02 0.72 -0.52 0.93 -2.23 0.00 0.00 178.31 177.19 1nku h GLU 33 N 1.01 0.14 -0.08 1.11 3.07 -0.87 -2.64 114.58 116.33 1nku h GLU 33 Ca 0.26 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1nku h GLU 33 Cb 0.04 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 1nku h GLU 33 CO -0.04 0.63 -0.09 1.98 -1.40 0.00 0.00 179.01 180.09 1nku h MET 34 N 0.11 -0.11 -0.09 2.33 4.05 0.41 0.14 114.93 121.77 1nku h MET 34 Ca 0.00 0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.28 1nku h MET 34 Cb 0.96 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 1nku h MET 34 CO 0.07 -0.08 -0.59 0.97 0.23 0.00 0.00 176.91 177.52 1nku h ILE 35 N -0.12 1.37 -0.03 1.77 2.10 -1.51 -1.25 117.51 119.85 1nku h ILE 35 Ca 0.06 -1.93 -0.00 0.00 1.08 0.00 0.00 64.86 64.06 1nku h ILE 35 Cb 0.21 1.96 -0.00 0.00 -1.09 0.00 0.00 36.82 37.89 1nku h ILE 35 CO -0.15 0.58 0.00 0.00 -1.08 0.00 0.00 178.15 177.50 1nku h LEU 37 N -0.24 0.66 -1.61 0.00 -0.00 -0.76 -2.66 115.31 110.69 1nku h LEU 37 Ca 0.01 -0.24 0.04 0.00 -0.00 0.00 0.00 57.88 57.69 1nku h LEU 37 Cb 0.31 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.76 1nku h LEU 37 CO 0.00 0.89 0.32 -0.08 -0.00 0.00 0.00 178.44 179.58 1nku h GLU 38 N 0.56 0.48 -0.69 1.13 4.57 -1.08 -1.08 114.58 118.47 1nku h GLU 38 Ca 0.08 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.35 1nku h GLU 38 Cb 0.74 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1nku h GLU 38 CO 0.06 0.32 0.46 0.78 -1.18 0.00 0.00 179.01 179.44 1nku h GLY 39 N 0.49 0.68 1.16 1.92 0.00 -1.02 0.01 103.07 106.31 1nku h GLY 39 Ca 0.20 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.40 1nku h GLY 39 CO -0.05 0.09 0.42 -1.61 0.00 0.00 0.00 176.54 175.39 1nku h GLN 40 N 0.45 0.63 -0.93 4.80 5.75 -1.31 -1.26 115.11 123.24 1nku h GLN 40 Ca 0.33 -0.04 0.12 0.00 -0.15 0.00 0.00 58.65 58.91 1nku h GLN 40 Cb 0.66 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.00 1nku h GLN 40 CO -0.10 0.41 0.59 0.37 -2.65 0.00 0.00 178.83 177.46 1nku h GLN 41 N 0.65 0.81 -6.00 1.69 4.15 -1.10 -3.38 115.11 111.93 1nku h GLN 41 Ca 0.27 -0.05 -0.72 0.00 0.77 0.00 0.00 58.65 58.92 1nku h GLN 41 Cb 0.25 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1nku h GLN 41 CO -0.08 0.54 1.34 0.00 -1.93 0.00 0.00 178.83 178.70 1nku n ALA 42 N -2.40 0.59 0.00 3.38 0.00 -0.48 0.25 120.51 121.85 1nku n ALA 42 Ca 0.17 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1nku n ALA 42 Cb 0.39 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1nku n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 43 N 6.90 2.17 0.00 0.00 0.00 -1.26 -5.00 105.19 108.00 1nku n GLY 43 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1nku n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nku n LEU 44 N 0.00 0.00 -4.27 0.99 4.77 0.69 -5.16 117.00 114.02 1nku n LEU 44 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1nku n LEU 44 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1nku n LEU 44 CO 0.00 0.00 -0.47 -0.44 -1.33 0.00 0.00 177.39 175.15 1nku s SER 45 N 1.00 2.27 0.27 -1.43 0.01 -1.26 -4.96 113.70 109.61 1nku s SER 45 Ca 0.00 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1nku s SER 45 Cb 0.00 -0.10 0.53 0.00 0.21 0.00 0.00 66.02 66.65 1nku s SER 45 CO 0.00 -0.09 1.82 -0.25 0.41 0.00 0.00 173.24 175.13 1nku h TRP 46 N 3.48 1.05 -0.44 2.43 2.91 -1.98 -0.64 115.95 122.77 1nku h TRP 46 Ca -0.41 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.61 1nku h TRP 46 Cb 1.20 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 29.50 1nku h TRP 46 CO 0.66 0.39 0.14 0.97 -1.03 0.00 0.00 178.44 179.58 1nku h ILE 47 N 0.91 1.18 -0.87 2.65 6.09 -2.01 -2.57 117.51 122.89 1nku h ILE 47 Ca 0.48 -0.59 -0.01 0.00 -1.37 0.00 0.00 64.86 63.36 1nku h ILE 47 Cb 0.50 0.69 -0.04 0.00 0.47 0.00 0.00 36.82 38.44 1nku h ILE 47 CO -0.28 0.22 0.49 0.74 -3.07 0.00 0.00 178.15 176.25 1nku h THR 48 N 0.62 1.25 -0.57 2.19 2.02 -1.52 -2.80 112.91 114.11 1nku h THR 48 Ca 0.15 -0.60 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 1nku h THR 48 Cb 0.18 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1nku h THR 48 CO -0.01 0.28 -0.06 0.58 0.37 0.00 0.00 175.52 176.68 1nku h VAL 49 N 1.21 1.27 -0.13 3.16 2.07 -1.35 -2.77 116.25 119.70 1nku h VAL 49 Ca 0.31 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1nku h VAL 49 Cb 0.01 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1nku h VAL 49 CO -0.05 0.43 -0.18 -0.07 0.02 0.00 0.00 177.57 177.72 1nku h LEU 50 N 0.93 -0.57 -1.01 2.57 3.38 -1.34 0.97 115.31 120.24 1nku h LEU 50 Ca 0.15 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1nku h LEU 50 Cb 0.62 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1nku h LEU 50 CO 0.04 -0.23 0.66 0.11 0.09 0.00 0.00 178.44 179.10 1nku h LYS 51 N -0.23 1.19 -0.07 1.13 1.57 -1.52 0.65 116.57 119.29 1nku h LYS 51 Ca 0.10 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1nku h LYS 51 Cb 0.37 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1nku h LYS 51 CO -0.26 0.79 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.81 1nku h LYS 52 N 1.23 0.15 -0.42 3.15 1.63 -0.78 -2.74 116.57 118.79 1nku h LYS 52 Ca 0.42 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.23 1nku h LYS 52 Cb 0.09 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.66 1nku h LYS 52 CO -0.15 0.50 0.05 -0.09 -3.45 0.00 0.00 179.45 176.31 1nku h ARG 53 N 0.13 0.16 -0.14 1.90 2.43 0.33 1.36 114.38 120.55 1nku h ARG 53 Ca 0.01 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1nku h ARG 53 Cb 0.72 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1nku h ARG 53 CO 0.05 0.11 -0.39 1.05 -1.51 0.00 0.00 179.97 179.28 1nku h GLU 54 N 0.17 0.51 -0.62 0.20 4.11 -1.45 -2.90 114.58 114.59 1nku h GLU 54 Ca 0.21 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 1nku h GLU 54 Cb 0.28 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1nku h GLU 54 CO -0.30 0.98 0.26 -0.97 0.07 0.00 0.00 179.01 179.06 1nku h ASN 55 N 0.12 0.82 -0.55 3.06 -0.73 -1.13 -2.41 115.58 114.75 1nku h ASN 55 Ca -0.01 -0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.10 1nku h ASN 55 Cb 1.01 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 39.35 1nku h ASN 55 CO 0.08 0.72 0.31 0.22 -0.37 0.00 0.00 177.43 178.40 1nku h TYR 56 N 0.89 0.58 -0.81 0.67 3.20 0.19 -1.15 116.97 120.54 1nku h TYR 56 Ca 0.21 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.14 1nku h TYR 56 Cb 0.15 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1nku h TYR 56 CO 0.01 0.30 0.53 0.00 -1.64 0.00 0.00 178.16 177.37 1nku h ARG 57 N 0.60 0.94 -0.82 1.82 3.08 -1.23 0.71 114.38 119.49 1nku h ARG 57 Ca 0.23 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.26 1nku h ARG 57 Cb 0.09 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 1nku h ARG 57 CO -0.13 0.63 0.53 0.00 -1.07 0.00 0.00 179.97 179.92 1nku h ALA 58 N 1.54 1.07 0.00 0.04 0.00 -1.03 0.40 119.26 121.28 1nku h ALA 58 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1nku h ALA 58 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nku h ALA 58 CO -0.10 0.35 -1.16 0.00 0.00 0.00 0.00 179.25 178.35 1nku n PHE 60 N -2.12 0.00 -0.33 0.00 3.72 0.24 -4.49 117.46 114.47 1nku n PHE 60 Ca 0.01 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.58 1nku n PHE 60 Cb 0.47 -0.30 0.40 0.00 -0.94 0.00 0.00 39.48 39.11 1nku n PHE 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1nku h HIS 61 N -0.24 0.90 -0.75 1.38 3.86 -1.03 0.81 115.15 120.08 1nku h HIS 61 Ca -0.21 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.05 1nku h HIS 61 Cb 1.21 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 1nku h HIS 61 CO -0.02 0.15 0.49 0.37 0.86 0.00 0.00 177.93 179.79 1nku h GLN 62 N 0.60 0.94 -2.70 2.45 5.75 -1.79 -2.88 115.11 117.48 1nku h GLN 62 Ca 0.58 -0.06 -0.80 0.00 -0.15 0.00 0.00 58.65 58.23 1nku h GLN 62 Cb 1.13 -0.21 -0.29 0.00 1.07 0.00 0.00 27.48 29.18 1nku h GLN 62 CO -0.35 0.62 0.75 1.19 -2.65 0.00 0.00 178.83 178.39 1nku n PHE 63 N -4.44 2.45 -0.78 3.99 3.72 0.28 -5.04 117.46 117.65 1nku n PHE 63 Ca 0.09 -2.67 -0.28 0.00 -0.05 0.00 0.00 57.45 54.54 1nku n PHE 63 Cb 0.07 -1.19 0.03 0.00 -0.94 0.00 0.00 39.48 37.45 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 0.92 -4.71 -0.32 4.37 9.92 -1.09 -3.64 116.55 122.01 1nku n ASP 64 Ca 0.31 0.14 0.19 0.00 -0.53 0.00 0.00 54.79 54.90 1nku n ASP 64 Cb 0.32 -0.59 0.38 0.00 -0.64 0.00 0.00 41.12 40.59 1nku n ASP 64 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1nku h PRO 65 N -0.78 0.16 -0.28 -0.24 0.11 -1.91 0.73 132.00 129.79 1nku h PRO 65 Ca -0.34 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.77 1nku h PRO 65 Cb 1.01 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1nku h PRO 65 CO 0.18 0.11 0.15 0.28 -0.21 0.00 0.00 178.00 178.51 1nku h VAL 66 N 0.17 1.01 -0.22 3.15 2.07 -1.93 -1.35 116.25 119.14 1nku h VAL 66 Ca 0.65 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.97 1nku h VAL 66 Cb 1.46 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1nku h VAL 66 CO -0.71 0.06 -0.26 0.11 0.02 0.00 0.00 177.57 176.79 1nku h LYS 67 N 0.32 0.42 -0.83 1.57 1.57 -1.15 -2.70 116.57 115.77 1nku h LYS 67 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1nku h LYS 67 Cb 0.02 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1nku h LYS 67 CO -0.07 0.65 0.47 0.28 -0.57 0.00 0.00 179.45 180.22 1nku h VAL 68 N 0.38 1.24 -0.14 0.50 2.07 -0.35 -0.64 116.25 119.31 1nku h VAL 68 Ca 0.06 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1nku h VAL 68 Cb 0.66 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1nku h VAL 68 CO 0.05 0.26 -0.21 0.00 0.02 0.00 0.00 177.57 177.69 1nku h ALA 69 N 1.25 1.39 -0.25 1.67 0.00 -1.01 0.21 119.26 122.51 1nku h ALA 69 Ca 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 69 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nku h ALA 69 CO -0.05 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1nku n ALA 70 N -2.48 2.58 -1.83 0.00 0.00 -0.43 -4.83 120.51 113.51 1nku n ALA 70 Ca -0.01 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 1nku n ALA 70 Cb 0.33 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1nku n ALA 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1nku s MET 71 N -1.64 4.43 0.38 0.00 1.75 0.06 -5.03 119.30 119.25 1nku s MET 71 Ca 0.18 2.07 0.08 0.00 -1.25 0.00 0.00 55.69 56.77 1nku s MET 71 Cb 0.11 -3.13 -0.02 0.00 2.84 0.00 0.00 34.83 34.62 1nku s MET 71 CO 0.11 -0.11 0.33 -1.14 -0.65 0.00 0.00 175.02 173.56 1nku s GLN 72 N -1.24 2.63 0.41 4.11 2.00 -1.26 -5.00 119.66 121.30 1nku s GLN 72 Ca 0.50 -1.42 0.08 0.00 -2.00 0.00 0.00 55.36 52.52 1nku s GLN 72 Cb -0.37 -2.43 0.85 0.00 0.80 0.00 0.00 33.01 31.86 1nku s GLN 72 CO 0.46 -0.05 2.03 0.93 -0.50 0.00 0.00 175.29 178.16 1nku h GLU 73 N 1.14 0.46 -0.62 1.67 4.39 -2.01 -1.39 114.58 118.21 1nku h GLU 73 Ca -0.43 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.23 1nku h GLU 73 Cb 1.26 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1nku h GLU 73 CO 0.58 0.36 0.41 0.93 -1.16 0.00 0.00 179.01 180.13 1nku h GLU 74 N 0.47 0.82 -0.84 2.33 5.08 -2.01 -1.01 114.58 119.42 1nku h GLU 74 Ca 0.12 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1nku h GLU 74 Cb 0.04 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1nku h GLU 74 CO -0.02 0.54 0.52 -0.44 -1.00 0.00 0.00 179.01 178.61 1nku h ASP 75 N 0.84 1.00 -0.61 1.42 3.32 -1.64 -2.09 116.42 118.67 1nku h ASP 75 Ca 0.23 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1nku h ASP 75 Cb -0.09 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1nku h ASP 75 CO -0.05 0.76 0.40 0.58 -1.72 0.00 0.00 179.24 179.21 1nku h VAL 76 N 1.16 1.15 -0.66 -1.35 2.07 -1.15 -0.44 116.25 117.02 1nku h VAL 76 Ca 0.30 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1nku h VAL 76 Cb -0.06 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1nku h VAL 76 CO -0.06 0.15 0.23 -0.33 0.02 0.00 0.00 177.57 177.58 1nku h GLU 77 N 0.82 0.99 -0.30 1.57 5.08 -1.22 0.18 114.58 121.69 1nku h GLU 77 Ca 0.23 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1nku h GLU 77 Cb -0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1nku h GLU 77 CO -0.06 0.83 0.05 -0.09 -1.00 0.00 0.00 179.01 178.74 1nku h ARG 78 N 0.96 0.50 -0.35 2.33 2.43 -0.71 -1.70 114.38 117.84 1nku h ARG 78 Ca 0.22 -0.13 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 1nku h ARG 78 Cb 0.23 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1nku h ARG 78 CO -0.01 0.60 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.60 1nku h LEU 79 N 0.33 0.94 -1.35 3.80 3.38 -0.82 1.22 115.31 122.81 1nku h LEU 79 Ca 0.09 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1nku h LEU 79 Cb 0.34 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1nku h LEU 79 CO 0.01 1.23 0.45 0.58 0.09 0.00 0.00 178.44 180.79 1nku h VAL 80 N 0.68 1.12 0.00 1.22 2.07 -0.57 -3.16 116.25 117.61 1nku h VAL 80 Ca 0.05 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1nku h VAL 80 Cb 0.97 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1nku h VAL 80 CO 0.09 0.16 -0.54 1.56 0.02 0.00 0.00 177.57 178.86 1nku h GLN 81 N 0.86 0.00 -4.47 1.57 4.20 -1.08 -3.44 115.11 112.75 1nku h GLN 81 Ca 0.27 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 58.25 1nku h GLN 81 Cb 0.01 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.58 1nku h GLN 81 CO -0.07 0.37 -0.31 0.34 -0.67 0.00 0.00 178.83 178.48 1nku s ASP 82 N -6.04 6.15 0.02 1.46 2.15 0.42 -4.61 116.67 116.22 1nku s ASP 82 Ca -0.16 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 51.72 1nku s ASP 82 Cb 0.02 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 1nku s ASP 82 CO 0.32 -0.60 0.00 0.00 -0.17 0.00 0.00 175.17 174.72 1nku n ALA 83 N 5.31 0.00 -2.63 3.66 0.00 -1.22 -4.01 120.51 121.62 1nku n ALA 83 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1nku n ALA 83 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.03 0.46 3.51 0.00 0.00 -1.26 -4.97 105.19 101.88 1nku n GLY 84 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.08 1.98 0.93 -0.61 -4.36 -1.26 -5.07 121.20 109.73 1nku s ILE 85 Ca 0.10 -2.16 -0.17 0.00 -0.26 0.00 0.00 60.65 58.16 1nku s ILE 85 Cb -0.04 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 41.06 1nku s ILE 85 CO 0.19 -0.21 -0.43 0.00 0.24 0.00 0.00 174.94 174.72 1nku n ILE 86 N -0.73 0.00 -1.55 8.37 3.06 -1.26 -4.73 119.36 122.52 1nku n ILE 86 Ca -0.05 -0.08 -0.40 0.00 -2.50 0.00 0.00 62.75 59.72 1nku n ILE 86 Cb 0.64 -0.26 0.02 0.00 0.54 0.00 0.00 39.64 40.58 1nku n ILE 86 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1nku n ARG 87 N 0.27 0.92 -0.17 9.51 1.74 -1.26 -4.86 116.66 122.82 1nku n ARG 87 Ca 0.01 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1nku n ARG 87 Cb 0.48 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1nku n ARG 87 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1nku n HIS 88 N -1.08 0.00 0.30 -1.55 -0.00 -1.26 -4.86 115.22 106.77 1nku n HIS 88 Ca 0.11 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.18 1nku n HIS 88 Cb 0.43 0.18 -0.06 0.00 -0.12 0.00 0.00 29.99 30.42 1nku n HIS 88 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nku h ARG 89 N 0.00 -0.73 -0.06 1.57 3.08 -1.96 0.13 114.38 116.42 1nku h ARG 89 Ca 0.00 0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.89 1nku h ARG 89 Cb 0.92 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1nku h ARG 89 CO 0.00 -0.49 -0.82 0.78 -1.07 0.00 0.00 179.97 178.38 1nku h GLY 90 N -0.77 0.50 0.99 0.04 0.00 -2.01 -3.24 103.07 98.58 1nku h GLY 90 Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1nku h GLY 90 CO 0.13 0.68 0.35 1.70 0.00 0.00 0.00 176.54 179.40 1nku h LYS 91 N 0.29 0.81 -0.96 4.80 1.63 -1.89 -1.74 116.57 119.51 1nku h LYS 91 Ca -0.05 -0.08 0.12 0.00 -0.85 0.00 0.00 60.65 59.79 1nku h LYS 91 Cb 1.42 -0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 32.81 1nku h LYS 91 CO 0.14 0.59 0.61 0.82 -3.45 0.00 0.00 179.45 178.16 1nku h ILE 92 N 0.80 0.91 -0.64 2.00 2.04 -0.77 0.41 117.51 122.26 1nku h ILE 92 Ca 0.21 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1nku h ILE 92 Cb -0.00 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 35.96 1nku h ILE 92 CO -0.04 0.17 0.42 1.56 0.00 0.00 0.00 178.15 180.26 1nku h GLN 93 N 0.91 0.76 -0.29 2.37 1.08 -1.38 -2.00 115.11 116.56 1nku h GLN 93 Ca 0.47 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.58 1nku h GLN 93 Cb 0.53 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1nku h GLN 93 CO -0.24 0.50 -0.02 0.00 -0.95 0.00 0.00 178.83 178.12 1nku h ALA 94 N 1.62 0.39 -0.70 3.87 0.00 0.07 -2.88 119.26 121.63 1nku h ALA 94 Ca 0.25 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 94 Cb 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1nku h ALA 94 CO -0.07 0.16 0.43 0.82 0.00 0.00 0.00 179.25 180.59 1nku h ILE 95 N 0.30 1.08 -0.69 0.00 5.03 -0.66 -0.96 117.51 121.61 1nku h ILE 95 Ca 0.08 -0.29 0.09 0.00 -0.12 0.00 0.00 64.86 64.62 1nku h ILE 95 Cb 0.47 0.16 -0.07 0.00 -3.03 0.00 0.00 36.82 34.35 1nku h ILE 95 CO 0.02 0.15 0.34 0.40 -0.68 0.00 0.00 178.15 178.38 1nku h ILE 96 N 0.84 0.84 -0.48 -0.67 2.04 -1.25 0.11 117.51 118.94 1nku h ILE 96 Ca 0.29 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1nku h ILE 96 Cb 0.04 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1nku h ILE 96 CO -0.12 0.11 0.08 1.23 0.00 0.00 0.00 178.15 179.45 1nku h GLY 97 N 0.58 0.86 1.39 5.37 0.00 -1.11 -2.63 103.07 107.54 1nku h GLY 97 Ca 0.34 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1nku h GLY 97 CO -0.27 0.53 0.31 3.43 0.00 0.00 0.00 176.54 180.54 1nku h ASN 98 N 0.67 0.71 -0.65 0.19 -0.26 0.05 -2.29 115.58 114.00 1nku h ASN 98 Ca 0.15 -0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1nku h ASN 98 Cb 0.39 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1nku h ASN 98 CO 0.01 0.58 0.24 0.00 -1.06 0.00 0.00 177.43 177.20 1nku h ALA 99 N 1.53 0.84 -0.58 -0.83 0.00 -0.48 0.59 119.26 120.34 1nku h ALA 99 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nku h ALA 99 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1nku h ALA 99 CO -0.03 0.48 0.33 0.00 0.00 0.00 0.00 179.25 180.02 1nku h ARG 100 N 0.92 0.79 -0.23 0.00 3.08 -1.14 0.15 114.38 117.96 1nku h ARG 100 Ca 0.21 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 1nku h ARG 100 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nku h ARG 100 CO -0.01 0.59 -0.60 0.00 -1.07 0.00 0.00 179.97 178.88 1nku h ALA 101 N 1.16 0.51 -0.40 0.04 0.00 -1.13 -2.47 119.26 116.97 1nku h ALA 101 Ca 0.20 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1nku h ALA 101 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nku h ALA 101 CO -0.04 0.69 0.26 -0.92 0.00 0.00 0.00 179.25 179.24 1nku h TYR 102 N 0.56 0.49 -0.38 0.00 3.20 0.64 0.15 116.97 121.62 1nku h TYR 102 Ca -0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1nku h TYR 102 Cb 1.19 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1nku h TYR 102 CO 0.07 0.30 -0.02 1.25 -1.64 0.00 0.00 178.16 178.11 1nku h LEU 103 N 0.52 0.68 -0.82 2.82 5.85 -0.96 -2.40 115.31 121.01 1nku h LEU 103 Ca 0.15 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1nku h LEU 103 Cb -0.05 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1nku h LEU 103 CO -0.04 0.84 0.15 1.56 -0.34 0.00 0.00 178.44 180.61 1nku h GLN 104 N 0.51 1.04 -0.77 1.25 4.20 -1.16 -2.45 115.11 117.72 1nku h GLN 104 Ca 0.11 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1nku h GLN 104 Cb 0.51 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1nku h GLN 104 CO 0.02 0.92 0.42 1.98 -0.67 0.00 0.00 178.83 181.50 1nku h MET 105 N 0.99 1.06 -0.07 1.46 4.05 -0.52 -1.62 114.93 120.28 1nku h MET 105 Ca 0.21 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 1nku h MET 105 Cb 0.36 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1nku h MET 105 CO 0.00 0.78 -0.26 1.49 0.23 0.00 0.00 176.91 179.15 1nku h GLU 106 N 1.07 0.12 -0.75 0.39 4.81 -0.97 -2.34 114.58 116.91 1nku h GLU 106 Ca 0.27 -0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.65 1nku h GLU 106 Cb 0.03 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1nku h GLU 106 CO -0.04 0.37 0.51 1.96 -0.73 0.00 0.00 179.01 181.08 1nku h GLN 107 N 0.11 0.22 0.00 1.92 4.20 -0.95 0.99 115.11 121.59 1nku h GLN 107 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1nku h GLN 107 Cb 0.52 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1nku h GLN 107 CO 0.04 0.14 0.00 -0.97 -0.67 0.00 0.00 178.83 177.37 1nku h ASN 108 N 0.22 0.00 -1.28 1.46 -1.24 -1.48 -3.47 115.58 109.79 1nku h ASN 108 Ca 0.37 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.28 1nku h ASN 108 Cb 1.12 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.18 1nku h ASN 108 CO -0.08 0.00 -0.15 0.61 -1.29 0.00 0.00 177.43 176.53 1nku n GLY 109 N 0.74 0.32 2.90 1.57 0.00 0.34 -5.00 105.19 106.07 1nku n GLY 109 Ca 0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.66 2.13 0.41 1.61 0.41 -1.26 -5.09 118.70 112.26 1nku s GLU 110 Ca 0.05 -2.90 -0.24 0.00 -0.41 0.00 0.00 54.97 51.47 1nku s GLU 110 Cb -0.02 -3.26 -0.11 0.00 -1.78 0.00 0.00 34.13 28.95 1nku s GLU 110 CO 0.07 -1.20 0.90 -2.30 -0.49 0.00 0.00 175.26 172.24 1nku n PRO 111 N 2.62 1.14 -0.31 0.39 -0.02 -1.26 -4.71 135.00 132.85 1nku n PRO 111 Ca 0.12 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 1nku n PRO 111 Cb 0.34 -1.90 0.12 0.00 -0.02 0.00 0.00 33.50 32.04 1nku n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nku h PHE 112 N 1.37 1.00 -0.19 6.00 -1.00 -1.98 0.96 116.94 123.10 1nku h PHE 112 Ca -0.43 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.37 1nku h PHE 112 Cb 1.35 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 1nku h PHE 112 CO 0.42 0.56 0.10 0.00 -1.61 0.00 0.00 178.31 177.77 1nku h ALA 113 N 1.36 0.24 -0.71 2.45 0.00 -1.89 0.34 119.26 121.06 1nku h ALA 113 Ca 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1nku h ALA 113 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1nku h ALA 113 CO -0.13 -0.20 0.35 0.22 0.00 0.00 0.00 179.25 179.49 1nku h ASP 114 N 0.19 0.92 -0.25 0.00 3.58 -1.75 0.22 116.42 119.32 1nku h ASP 114 Ca 0.07 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1nku h ASP 114 Cb 0.10 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1nku h ASP 114 CO -0.01 0.79 0.08 0.15 -2.88 0.00 0.00 179.24 177.37 1nku h PHE 115 N 0.99 0.40 -0.57 0.28 3.57 -0.47 -2.24 116.94 118.90 1nku h PHE 115 Ca 0.24 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1nku h PHE 115 Cb 0.10 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1nku h PHE 115 CO 0.00 0.44 0.36 0.28 -2.23 0.00 0.00 178.31 177.16 1nku h VAL 116 N 0.24 1.16 -0.63 1.41 2.07 0.01 -1.40 116.25 119.12 1nku h VAL 116 Ca 0.08 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1nku h VAL 116 Cb 0.22 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1nku h VAL 116 CO -0.00 0.16 0.42 -0.50 0.02 0.00 0.00 177.57 177.66 1nku h TRP 117 N 0.77 0.55 -0.78 1.57 4.06 -0.72 -0.68 115.95 120.71 1nku h TRP 117 Ca 0.21 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.15 1nku h TRP 117 Cb -0.05 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 27.89 1nku h TRP 117 CO -0.03 0.28 0.39 0.77 -3.56 0.00 0.00 178.44 176.29 1nku h SER 118 N 0.53 1.01 0.13 -3.49 0.02 -0.65 -0.91 113.55 110.19 1nku h SER 118 Ca 0.28 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1nku h SER 118 Cb 0.41 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1nku h SER 118 CO -0.09 0.84 -0.13 -0.26 -1.14 0.00 0.00 176.83 176.05 1nku h PHE 119 N 1.11 0.00 -0.45 3.45 0.04 -0.94 -1.48 116.94 118.67 1nku h PHE 119 Ca 0.27 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.99 1nku h PHE 119 Cb 0.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1nku h PHE 119 CO 0.01 0.13 0.04 1.33 -0.60 0.00 0.00 178.31 179.23 1nku n VAL 120 N -4.37 2.57 0.00 -0.55 0.24 -0.85 -4.94 118.33 110.43 1nku n VAL 120 Ca -0.03 -1.75 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 1nku n VAL 120 Cb 0.20 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.14 0.00 0.00 -1.34 5.15 -0.56 -3.36 115.26 115.01 1nku n ASN 121 Ca 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1nku n ASN 121 Cb 1.09 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.34 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1nku n HIS 122 N 0.00 0.00 -3.32 1.20 -0.00 -0.44 -4.50 115.22 108.15 1nku n HIS 122 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1nku n HIS 122 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1nku n HIS 122 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1nku s GLN 123 N 0.00 3.94 0.57 1.57 -2.07 -1.21 -5.02 119.66 117.44 1nku s GLN 123 Ca 0.00 0.47 -0.16 0.00 -1.82 0.00 0.00 55.36 53.86 1nku s GLN 123 Cb 0.00 -2.74 -0.05 0.00 -1.09 0.00 0.00 33.01 29.13 1nku s GLN 123 CO 0.00 0.36 1.03 -1.25 -1.32 0.00 0.00 175.29 174.11 1nku s PRO 124 N -2.45 3.52 -0.03 9.60 0.04 -1.26 -4.92 135.00 139.50 1nku s PRO 124 Ca 0.44 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 1nku s PRO 124 Cb -0.13 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1nku s PRO 124 CO 0.20 -0.64 0.11 -0.65 0.04 0.00 0.00 177.00 176.06 1nku s GLN 125 N -4.15 3.21 0.12 4.56 -0.21 -1.08 -5.04 119.66 117.07 1nku s GLN 125 Ca 0.62 -0.39 0.08 0.00 0.02 0.00 0.00 55.36 55.69 1nku s GLN 125 Cb -0.14 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 1nku s GLN 125 CO 0.36 0.68 -0.14 -1.64 -2.12 0.00 0.00 175.29 172.43 1nku s MET 126 N -1.65 1.95 0.34 2.91 -1.94 -1.26 -1.55 119.30 118.11 1nku s MET 126 Ca 0.22 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 1nku s MET 126 Cb -0.12 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 1nku s MET 126 CO 0.13 0.49 0.55 -0.08 -0.01 0.00 0.00 175.02 176.10 1nku s THR 127 N -1.23 5.10 -0.41 2.05 -1.32 -0.87 -4.88 115.64 114.08 1nku s THR 127 Ca 0.20 -0.42 0.09 0.00 -1.21 0.00 0.00 61.69 60.36 1nku s THR 127 Cb -0.11 -3.85 0.32 0.00 -1.51 0.00 0.00 72.50 67.36 1nku s THR 127 CO 0.12 -0.55 0.84 0.00 -2.21 0.00 0.00 174.62 172.83 1nku n GLN 128 N -1.73 0.95 -4.22 7.08 6.02 -1.26 -5.03 117.38 119.18 1nku n GLN 128 Ca -0.04 -2.81 -0.13 0.00 -0.01 0.00 0.00 57.00 54.01 1nku n GLN 128 Cb 0.56 -1.43 -0.10 0.00 1.02 0.00 0.00 30.24 30.29 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nku s ALA 129 N -1.27 1.26 -0.05 -1.58 0.00 -1.26 -5.06 121.76 113.80 1nku s ALA 129 Ca 0.33 -1.62 0.11 0.00 0.00 0.00 0.00 51.96 50.78 1nku s ALA 129 Cb 0.31 0.82 -0.16 0.00 0.00 0.00 0.00 23.12 24.08 1nku s ALA 129 CO -0.08 -0.42 0.17 2.41 0.00 0.00 0.00 175.76 177.83 1nku n THR 130 N -0.24 0.29 -4.33 0.00 -1.04 -1.26 -3.43 114.28 104.27 1nku n THR 130 Ca -0.04 -0.34 -0.23 0.00 -2.04 0.00 0.00 64.05 61.39 1nku n THR 130 Cb 0.64 -0.14 -0.12 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.59 1.85 0.44 12.58 2.01 -1.26 -4.75 115.64 123.91 1nku s THR 131 Ca -0.05 -1.79 0.11 0.00 0.31 0.00 0.00 61.69 60.27 1nku s THR 131 Cb 0.06 -1.77 0.24 0.00 0.01 0.00 0.00 72.50 71.03 1nku s THR 131 CO 0.47 -0.19 2.05 -0.07 -0.69 0.00 0.00 174.62 176.19 1nku h LEU 132 N 3.57 0.25 -1.28 4.42 3.38 -1.95 -1.88 115.31 121.83 1nku h LEU 132 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1nku h LEU 132 Cb 1.20 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1nku h LEU 132 CO 0.46 0.24 0.44 0.28 0.09 0.00 0.00 178.44 179.96 1nku h SER 133 N 0.29 0.82 0.40 -0.43 0.02 -2.02 -1.30 113.55 111.33 1nku h SER 133 Ca 0.07 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1nku h SER 133 Cb 0.07 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1nku h SER 133 CO -0.01 0.61 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.78 1nku h GLU 134 N 0.96 0.00 -6.55 3.45 5.08 -1.75 -3.43 114.58 112.33 1nku h GLU 134 Ca 0.25 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.09 1nku h GLU 134 Cb -0.08 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.20 1nku h GLU 134 CO -0.05 0.18 0.79 0.42 -1.00 0.00 0.00 179.01 179.34 1nku s ILE 135 N -4.19 3.11 0.19 3.13 1.09 -0.49 -4.97 121.20 119.06 1nku s ILE 135 Ca -0.03 0.78 -0.30 0.00 -1.10 0.00 0.00 60.65 60.00 1nku s ILE 135 Cb 0.13 -3.50 -0.08 0.00 -1.06 0.00 0.00 42.46 37.96 1nku s ILE 135 CO 0.63 0.06 1.12 -2.16 -0.10 0.00 0.00 174.94 174.48 1nku s PRO 136 N 1.23 4.57 0.00 2.79 0.04 -1.26 -4.93 135.00 137.44 1nku s PRO 136 Ca 0.67 1.76 0.19 0.00 0.04 0.00 0.00 61.00 63.65 1nku s PRO 136 Cb -0.39 -3.26 0.15 0.00 0.04 0.00 0.00 34.50 31.04 1nku s PRO 136 CO 0.30 0.05 1.10 -2.37 0.04 0.00 0.00 177.00 176.12 1nku n THR 137 N 2.30 0.00 -3.82 1.26 5.66 -1.26 -4.77 114.28 113.65 1nku n THR 137 Ca 0.03 -0.50 -0.30 0.00 -3.05 0.00 0.00 64.05 60.23 1nku n THR 137 Cb 0.46 1.39 -0.14 0.00 -1.55 0.00 0.00 70.33 70.48 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1nku s SER 138 N -1.59 4.15 0.14 1.09 0.15 -1.26 -5.01 113.70 111.36 1nku s SER 138 Ca 0.22 -2.19 0.08 0.00 0.70 0.00 0.00 55.95 54.76 1nku s SER 138 Cb 0.16 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1nku s SER 138 CO 0.24 -0.35 -0.09 0.42 1.20 0.00 0.00 173.24 174.67 1nku s THR 139 N 0.89 3.34 0.48 6.45 -4.23 -1.26 -5.02 115.64 116.30 1nku s THR 139 Ca 0.13 -1.41 0.13 0.00 -1.18 0.00 0.00 61.69 59.36 1nku s THR 139 Cb -0.21 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.29 1nku s THR 139 CO -0.11 0.02 2.11 1.55 -0.54 0.00 0.00 174.62 177.65 1nku h PRO 140 N 3.29 0.15 -0.21 3.99 0.13 -1.99 -2.46 132.00 134.90 1nku h PRO 140 Ca -0.48 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1nku h PRO 140 Cb 1.18 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1nku h PRO 140 CO 0.53 0.12 -0.28 0.00 -0.23 0.00 0.00 178.00 178.14 1nku h ALA 141 N 1.91 0.32 -0.68 -0.56 0.00 -1.95 -1.18 119.26 117.12 1nku h ALA 141 Ca 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1nku h ALA 141 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1nku h ALA 141 CO -0.01 0.32 0.18 0.66 0.00 0.00 0.00 179.25 180.40 1nku h SER 142 N 0.25 1.02 -0.21 0.00 4.64 -1.89 0.70 113.55 118.05 1nku h SER 142 Ca 0.03 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1nku h SER 142 Cb 0.85 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1nku h SER 142 CO 0.07 0.98 -0.02 0.44 -0.87 0.00 0.00 176.83 177.43 1nku h ASP 143 N 1.01 0.37 -0.16 4.97 3.32 -1.42 -1.16 116.42 123.36 1nku h ASP 143 Ca 0.21 -0.33 -0.16 0.00 0.02 0.00 0.00 57.03 56.77 1nku h ASP 143 Cb 0.35 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nku h ASP 143 CO -0.00 0.61 -0.49 0.00 -1.72 0.00 0.00 179.24 177.64 1nku h ALA 144 N 0.77 0.63 -0.18 3.45 0.00 -1.04 -2.94 119.26 119.95 1nku h ALA 144 Ca 0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1nku h ALA 144 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nku h ALA 144 CO 0.01 0.68 0.07 1.25 0.00 0.00 0.00 179.25 181.27 1nku h LEU 145 N 0.58 0.24 -0.96 0.00 6.46 0.49 -2.34 115.31 119.78 1nku h LEU 145 Ca 0.03 -0.16 0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1nku h LEU 145 Cb 1.06 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.85 1nku h LEU 145 CO 0.10 0.33 0.60 -1.28 -0.62 0.00 0.00 178.44 177.58 1nku h SER 146 N 0.14 0.92 -0.54 1.25 0.87 -1.20 0.24 113.55 115.24 1nku h SER 146 Ca 0.06 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1nku h SER 146 Cb 0.16 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1nku h SER 146 CO -0.01 0.55 0.26 0.50 -0.53 0.00 0.00 176.83 177.60 1nku h LYS 147 N 1.03 0.81 0.14 2.24 3.64 -1.29 -0.35 116.57 122.79 1nku h LYS 147 Ca 0.44 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1nku h LYS 147 Cb 0.31 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1nku h LYS 147 CO -0.22 0.64 -0.07 0.00 -2.27 0.00 0.00 179.45 177.53 1nku h ALA 148 N 1.48 -0.19 -0.37 5.00 0.00 -0.45 -2.61 119.26 122.13 1nku h ALA 148 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nku h ALA 148 Cb 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1nku h ALA 148 CO -0.02 -0.43 0.08 -0.07 0.00 0.00 0.00 179.25 178.80 1nku h LEU 149 N -0.54 0.50 -0.69 0.00 4.07 -1.24 -2.29 115.31 115.11 1nku h LEU 149 Ca -0.02 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 57.90 1nku h LEU 149 Cb 0.42 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 1nku h LEU 149 CO 0.03 0.51 0.43 0.50 -1.08 0.00 0.00 178.44 178.83 1nku h LYS 150 N 0.53 0.82 -0.45 1.13 3.64 -0.93 -1.05 116.57 120.25 1nku h LYS 150 Ca 0.12 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1nku h LYS 150 Cb 0.22 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1nku h LYS 150 CO -0.00 0.54 0.14 0.87 -2.27 0.00 0.00 179.45 178.73 1nku h LYS 151 N 0.84 0.66 0.00 1.90 1.57 -1.03 -0.92 116.57 119.60 1nku h LYS 151 Ca 0.28 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1nku h LYS 151 Cb 0.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1nku h LYS 151 CO -0.11 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 1nku h ARG 152 N 0.65 0.00 0.00 3.15 3.08 -0.94 -3.45 114.38 116.88 1nku h ARG 152 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1nku h ARG 152 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1nku h ARG 152 CO -0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.30 1nku n GLY 153 N -0.67 1.05 3.74 0.04 0.00 -0.35 -4.83 105.19 104.18 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 3.64 0.14 1.61 0.40 -1.03 -4.79 117.98 115.96 1nku s PHE 154 Ca 0.00 1.20 0.02 0.00 -0.60 0.00 0.00 56.93 57.55 1nku s PHE 154 Cb 0.00 -2.67 0.02 0.00 0.51 0.00 0.00 43.02 40.88 1nku s PHE 154 CO 0.00 0.26 0.19 1.63 0.70 0.00 0.00 175.22 178.00 1nku n LYS 155 N 3.11 0.93 -4.33 0.44 5.02 -1.26 -4.50 118.16 117.57 1nku n LYS 155 Ca -0.05 -0.79 -0.36 0.00 -2.02 0.00 0.00 58.31 55.09 1nku n LYS 155 Cb 0.51 -0.05 -0.06 0.00 -0.02 0.00 0.00 35.03 35.41 1nku n LYS 155 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1nku n PHE 156 N -1.28 -1.40 -1.20 2.13 -1.74 -1.26 -4.79 117.46 107.93 1nku n PHE 156 Ca 0.04 0.70 0.02 0.00 -0.56 0.00 0.00 57.45 57.66 1nku n PHE 156 Cb 0.15 -2.64 0.23 0.00 1.52 0.00 0.00 39.48 38.73 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 -4.33 2.40 -0.99 1.97 0.24 -1.26 -4.68 118.33 111.68 1nku n VAL 157 Ca -0.07 -2.27 -0.36 0.00 -2.04 0.00 0.00 64.34 59.60 1nku n VAL 157 Cb 0.56 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.69 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 -0.84 -4.28 0.38 7.63 0.00 -1.26 -4.30 105.19 102.52 1nku n GLY 158 Ca 0.27 -0.77 0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.02 0.75 -0.36 2.61 2.02 -1.96 0.01 112.91 114.95 1nku h THR 159 Ca -0.44 -0.03 -0.17 0.00 0.77 0.00 0.00 66.41 66.55 1nku h THR 159 Cb 1.30 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1nku h THR 159 CO 0.25 0.02 -0.42 0.71 0.37 0.00 0.00 175.52 176.44 1nku h THR 160 N 0.08 1.27 -0.54 3.16 1.35 -1.95 -1.04 112.91 115.24 1nku h THR 160 Ca 0.27 -1.60 -0.07 0.00 -0.55 0.00 0.00 66.41 64.46 1nku h THR 160 Cb 0.96 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1nku h THR 160 CO -0.02 0.53 0.08 0.40 -0.25 0.00 0.00 175.52 176.26 1nku h ILE 161 N 0.75 1.25 -0.09 6.82 5.03 -1.27 0.16 117.51 130.15 1nku h ILE 161 Ca 0.05 -0.97 -0.02 0.00 -0.12 0.00 0.00 64.86 63.80 1nku h ILE 161 Cb 1.02 0.84 -0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1nku h ILE 161 CO 0.10 0.35 -0.01 0.00 -0.68 0.00 0.00 178.15 177.91 1nku h TYR 163 N -0.15 0.96 -0.89 0.00 3.20 -1.09 -2.27 116.97 116.73 1nku h TYR 163 Ca 0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1nku h TYR 163 Cb 0.40 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1nku h TYR 163 CO 0.05 0.68 0.55 0.77 -1.64 0.00 0.00 178.16 178.57 1nku h SER 164 N 0.96 1.05 -0.85 -2.11 0.02 -0.58 -2.26 113.55 109.78 1nku h SER 164 Ca 0.25 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1nku h SER 164 Cb 0.04 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 1nku h SER 164 CO -0.04 0.79 0.48 0.15 -1.14 0.00 0.00 176.83 177.07 1nku h PHE 165 N 1.21 1.15 -0.91 3.45 3.57 -0.71 -1.85 116.94 122.85 1nku h PHE 165 Ca 0.32 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.83 1nku h PHE 165 Cb -0.08 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.24 1nku h PHE 165 CO -0.00 0.79 0.60 0.52 -2.23 0.00 0.00 178.31 177.99 1nku h MET 166 N 1.18 1.14 -0.36 1.11 2.86 -0.87 0.31 114.93 120.28 1nku h MET 166 Ca 0.30 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.77 1nku h MET 166 Cb 0.01 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 1nku h MET 166 CO -0.05 0.75 -0.19 1.96 1.06 0.00 0.00 176.91 180.44 1nku h GLN 167 N 1.17 0.77 -0.14 1.72 1.08 -1.15 -2.00 115.11 116.56 1nku h GLN 167 Ca 0.35 -0.34 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 1nku h GLN 167 Cb -0.03 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1nku h GLN 167 CO -0.10 0.96 -0.31 0.00 -0.95 0.00 0.00 178.83 178.43 1nku h ALA 168 N 0.79 0.23 0.00 3.87 0.00 -0.73 -2.84 119.26 120.57 1nku h ALA 168 Ca 0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1nku h ALA 168 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1nku h ALA 168 CO 0.06 0.26 -0.20 0.00 0.00 0.00 0.00 179.25 179.37 1nku n GLY 170 N -0.84 0.83 0.39 0.00 0.00 -0.80 -0.69 105.19 104.08 1nku n GLY 170 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.20 1nku n GLY 170 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nku h LEU 171 N 0.00 0.51 -8.09 0.99 5.85 -1.71 -3.39 115.31 109.46 1nku h LEU 171 Ca 0.00 0.08 -0.45 0.00 0.84 0.00 0.00 57.88 58.35 1nku h LEU 171 Cb 0.00 -0.00 -0.30 0.00 0.37 0.00 0.00 40.66 40.73 1nku h LEU 171 CO 0.00 0.13 -0.80 0.54 -0.34 0.00 0.00 178.44 177.97 1nku s VAL 172 N -5.55 0.93 -0.64 1.05 0.11 -1.24 -2.65 120.40 112.40 1nku s VAL 172 Ca -0.09 -0.48 -0.24 0.00 -2.93 0.00 0.00 61.98 58.24 1nku s VAL 172 Cb 0.25 -0.79 0.05 0.00 -1.53 0.00 0.00 36.38 34.36 1nku s VAL 172 CO 0.80 0.27 1.02 0.20 -3.33 0.00 0.00 175.10 174.06 1nku s ASN 173 N -0.11 6.22 -0.49 3.54 0.01 -0.59 -4.74 114.94 118.78 1nku s ASN 173 Ca 0.02 -0.69 0.04 0.00 -0.71 0.00 0.00 52.86 51.52 1nku s ASN 173 Cb -0.06 -2.45 0.13 0.00 0.41 0.00 0.00 41.25 39.27 1nku s ASN 173 CO 0.00 -1.46 0.23 -0.62 -1.51 0.00 0.00 177.10 173.74 1nku s ASP 174 N 3.45 4.34 0.00 -1.22 2.15 -1.26 -2.05 116.67 122.08 1nku s ASP 174 Ca 0.27 -2.87 0.00 0.00 0.43 0.00 0.00 52.55 50.38 1nku s ASP 174 Cb -0.14 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1nku s ASP 174 CO 0.14 -0.25 0.00 1.41 -0.17 0.00 0.00 175.17 176.29 1nku n HIS 175 N 3.30 0.00 -3.64 -5.34 8.25 -1.26 -5.03 115.22 111.49 1nku n HIS 175 Ca 0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1nku n HIS 175 Cb 0.34 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 1nku n HIS 175 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nku s VAL 176 N 0.33 0.00 0.09 1.59 1.01 -1.26 -4.74 120.40 117.42 1nku s VAL 176 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 61.98 61.63 1nku s VAL 176 Cb 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 36.38 35.24 1nku s VAL 176 CO 0.00 0.00 1.55 1.33 0.00 0.00 0.00 175.10 177.98 1nku n VAL 177 N 1.74 0.08 -2.15 2.92 0.24 -1.22 -1.34 118.33 118.60 1nku n VAL 177 Ca -0.11 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1nku n VAL 177 Cb 0.57 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nku n GLY 178 N 3.31 0.52 3.66 7.63 0.00 -0.84 -4.87 105.19 114.60 1nku n GLY 178 Ca 0.18 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku n TYR 182 N -0.48 2.52 1.16 0.00 9.36 -0.63 -4.89 117.16 124.19 1nku n TYR 182 Ca -0.00 -4.13 0.14 0.00 3.32 0.00 0.00 57.90 57.23 1nku n TYR 182 Cb 0.84 -0.47 0.60 0.00 -0.63 0.00 0.00 39.34 39.68 1nku n TYR 182 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1nku n PRO 183 N 2.04 0.21 -1.32 2.98 -0.04 -1.26 -1.99 135.00 135.62 1nku n PRO 183 Ca 0.22 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1nku n PRO 183 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1nku n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nku n GLY 184 N 1.42 0.49 4.33 0.55 0.00 -1.26 -3.70 105.19 107.01 1nku n GLY 184 Ca 0.10 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1nku n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nku n ASN 185 N 1.79 -2.53 -3.75 1.61 6.94 -1.26 -4.87 115.26 113.19 1nku n ASN 185 Ca 0.00 -1.10 -0.28 0.00 -0.02 0.00 0.00 54.58 53.18 1nku n ASN 185 Cb 0.21 -2.32 -0.11 0.00 -2.36 0.00 0.00 39.78 35.19 1nku n ASN 185 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1nku s LYS 186 N -7.05 1.99 0.00 -3.83 2.20 -1.24 -5.30 119.74 106.51 1nku s LYS 186 Ca 0.72 -2.96 0.31 0.00 -0.36 0.00 0.00 55.97 53.68 1nku s LYS 186 Cb -0.40 -2.82 1.71 0.00 -1.51 0.00 0.00 37.83 34.80 1nku s LYS 186 CO 0.96 -1.31 2.12 -0.35 -0.36 0.00 0.00 175.35 176.41