#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nku s GLU 2 N 0.00 0.97 0.10 3.17 0.41 -1.26 -4.85 118.70 117.24 1nku s GLU 2 Ca 0.00 -1.22 0.07 0.00 -0.41 0.00 0.00 54.97 53.41 1nku s GLU 2 Cb 0.00 -0.77 -0.03 0.00 -1.78 0.00 0.00 34.13 31.54 1nku s GLU 2 CO 0.00 0.14 -0.18 1.03 -0.49 0.00 0.00 175.26 175.76 1nku s ARG 3 N -2.75 1.03 0.09 1.61 0.52 -1.26 0.27 118.95 118.46 1nku s ARG 3 Ca 0.08 -1.12 -0.32 0.00 -0.52 0.00 0.00 55.73 53.86 1nku s ARG 3 Cb -0.04 -1.16 -0.11 0.00 0.52 0.00 0.00 34.95 34.16 1nku s ARG 3 CO 0.02 0.26 1.84 0.00 0.02 0.00 0.00 175.30 177.44 1nku n GLY 5 N 4.23 -0.44 0.20 0.00 0.00 -1.26 -3.92 105.19 104.00 1nku n GLY 5 Ca 0.19 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.83 1nku n GLY 5 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1nku n TRP 6 N -0.54 0.00 -2.09 1.61 4.27 -1.26 -4.88 117.44 114.55 1nku n TRP 6 Ca 0.10 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.31 1nku n TRP 6 Cb 0.39 -0.13 -0.01 0.00 -1.36 0.00 0.00 31.31 30.20 1nku n TRP 6 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 1nku s VAL 7 N -2.42 2.69 0.85 -1.67 -7.23 -1.25 -4.96 120.40 106.40 1nku s VAL 7 Ca 0.28 0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 60.97 1nku s VAL 7 Cb 0.20 -3.39 0.11 0.00 0.56 0.00 0.00 36.38 33.86 1nku s VAL 7 CO 0.48 0.11 1.19 -0.44 -0.31 0.00 0.00 175.10 176.13 1nku s SER 8 N -0.67 3.32 -0.70 4.85 0.01 -1.26 -4.88 113.70 114.36 1nku s SER 8 Ca 0.54 2.32 -0.24 0.00 1.31 0.00 0.00 55.95 59.87 1nku s SER 8 Cb -0.38 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.32 1nku s SER 8 CO 0.50 -2.85 1.11 -1.58 0.41 0.00 0.00 173.24 170.83 1nku s GLN 9 N -4.31 3.15 0.00 12.44 0.74 -1.26 -4.66 119.66 125.77 1nku s GLN 9 Ca 0.71 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 55.54 1nku s GLN 9 Cb -0.27 -4.22 0.00 0.00 1.10 0.00 0.00 33.01 29.62 1nku s GLN 9 CO 0.53 -1.97 0.00 -0.25 -0.55 0.00 0.00 175.29 173.05 1nku n ASP 10 N 8.45 0.00 -0.06 6.67 9.92 -1.26 -5.01 116.55 135.25 1nku n ASP 10 Ca -0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.23 1nku n ASP 10 Cb 0.47 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.17 1nku n ASP 10 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nku h PRO 11 N 0.00 0.67 -0.50 -0.24 0.13 -1.99 -2.66 132.00 127.40 1nku h PRO 11 Ca 0.00 -0.16 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1nku h PRO 11 Cb 0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 1nku h PRO 11 CO 0.00 0.69 0.15 1.25 -0.23 0.00 0.00 178.00 179.86 1nku h LEU 12 N 0.63 0.74 -0.13 1.56 5.85 -1.97 -0.56 115.31 121.43 1nku h LEU 12 Ca 0.13 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1nku h LEU 12 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1nku h LEU 12 CO 0.02 0.76 0.02 0.22 -0.34 0.00 0.00 178.44 179.11 1nku h TYR 13 N 0.69 0.24 -0.28 1.25 5.03 -1.86 -2.64 116.97 119.40 1nku h TYR 13 Ca 0.16 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 1nku h TYR 13 Cb 0.29 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1nku h TYR 13 CO 0.02 0.41 0.13 0.82 -1.32 0.00 0.00 178.16 178.21 1nku h ILE 14 N -0.00 1.10 -0.92 1.81 2.04 -1.37 -0.60 117.51 119.57 1nku h ILE 14 Ca 0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1nku h ILE 14 Cb 0.30 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1nku h ILE 14 CO 0.00 0.11 0.58 0.00 0.00 0.00 0.00 178.15 178.85 1nku h ALA 15 N 1.76 1.17 -0.45 1.87 0.00 -0.76 -0.96 119.26 121.90 1nku h ALA 15 Ca 0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1nku h ALA 15 Cb 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1nku h ALA 15 CO -0.01 0.60 -0.12 -0.92 0.00 0.00 0.00 179.25 178.79 1nku h TYR 16 N 1.26 0.92 -0.69 0.00 3.20 -0.85 0.66 116.97 121.48 1nku h TYR 16 Ca 0.33 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 62.08 1nku h TYR 16 Cb -0.10 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 37.88 1nku h TYR 16 CO -0.00 0.90 0.40 1.25 -1.64 0.00 0.00 178.16 179.07 1nku h HIS 17 N 0.75 0.74 0.00 -3.82 2.76 -0.12 -1.57 115.15 113.89 1nku h HIS 17 Ca 0.12 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 58.11 1nku h HIS 17 Cb 0.63 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.32 1nku h HIS 17 CO 0.03 0.38 -1.50 -0.25 -1.30 0.00 0.00 177.93 175.29 1nku n ASP 18 N -4.74 0.87 0.00 3.26 8.00 -0.71 -4.34 116.55 118.89 1nku n ASP 18 Ca 0.08 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1nku n ASP 18 Cb 0.15 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1nku n ASP 18 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nku n ASN 19 N -2.94 0.00 -3.83 -2.24 4.13 0.23 -4.84 115.26 105.78 1nku n ASN 19 Ca -0.12 0.31 -0.30 0.00 1.68 0.00 0.00 54.58 56.15 1nku n ASN 19 Cb 0.91 -0.28 -0.15 0.00 -1.54 0.00 0.00 39.78 38.72 1nku n ASN 19 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1nku s GLU 20 N -0.65 1.02 -0.30 3.52 2.02 -0.61 -4.97 118.70 118.73 1nku s GLU 20 Ca 0.00 -1.16 -0.14 0.00 0.02 0.00 0.00 54.97 53.70 1nku s GLU 20 Cb 0.00 -2.35 0.18 0.00 0.10 0.00 0.00 34.13 32.07 1nku s GLU 20 CO 0.00 -0.88 1.11 -0.46 0.02 0.00 0.00 175.26 175.05 1nku s TRP 21 N 1.46 -0.31 0.00 1.61 -0.00 -1.21 -4.62 118.94 115.87 1nku s TRP 21 Ca 0.06 0.20 0.00 0.00 -0.00 0.00 0.00 56.10 56.36 1nku s TRP 21 Cb -0.18 0.06 0.00 0.00 -0.00 0.00 0.00 33.47 33.35 1nku s TRP 21 CO -0.17 -0.18 0.00 0.41 -0.00 0.00 0.00 176.95 177.01 1nku n GLY 22 N 5.14 0.73 3.54 5.86 0.00 -1.02 -4.89 105.19 114.56 1nku n GLY 22 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1nku n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nku s VAL 23 N -2.36 5.26 -0.01 1.61 1.01 -1.26 -4.63 120.40 120.01 1nku s VAL 23 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 61.98 61.53 1nku s VAL 23 Cb 0.00 -3.71 -0.17 0.00 0.00 0.00 0.00 36.38 32.50 1nku s VAL 23 CO 0.00 0.02 1.42 -2.65 0.00 0.00 0.00 175.10 173.89 1nku n PRO 24 N 5.17 1.07 -5.04 2.72 -0.02 -1.21 -3.86 135.00 133.83 1nku n PRO 24 Ca -0.12 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1nku n PRO 24 Cb 0.50 -2.03 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 1nku n PRO 24 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1nku s GLU 25 N 1.19 2.59 0.00 -0.52 2.12 0.32 -4.94 118.70 119.46 1nku s GLU 25 Ca 0.88 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 55.45 1nku s GLU 25 Cb -1.01 -2.30 0.07 0.00 0.26 0.00 0.00 34.13 31.15 1nku s GLU 25 CO 0.52 0.48 1.00 0.25 -0.54 0.00 0.00 175.26 176.98 1nku n THR 26 N 2.69 0.86 -2.89 -1.70 -2.24 -1.26 -4.98 114.28 104.77 1nku n THR 26 Ca -0.17 -0.93 -0.42 0.00 -2.27 0.00 0.00 64.05 60.26 1nku n THR 26 Cb 0.52 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.90 6.74 0.24 3.42 1.01 -1.26 -4.92 116.67 121.00 1nku s ASP 27 Ca 0.06 0.81 -0.05 0.00 0.71 0.00 0.00 52.55 54.07 1nku s ASP 27 Cb 0.03 -2.43 0.26 0.00 1.01 0.00 0.00 42.92 41.78 1nku s ASP 27 CO 0.04 -0.63 1.81 0.28 0.21 0.00 0.00 175.17 176.88 1nku h SER 28 N 8.00 0.99 -0.48 0.27 0.02 -1.99 -1.39 113.55 118.99 1nku h SER 28 Ca -0.23 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1nku h SER 28 Cb 1.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1nku h SER 28 CO 0.90 0.89 0.20 0.07 -1.14 0.00 0.00 176.83 177.75 1nku h LYS 29 N 1.04 0.71 -0.29 3.45 2.10 -1.99 0.06 116.57 121.65 1nku h LYS 29 Ca 0.24 -0.12 -0.05 0.00 -2.00 0.00 0.00 60.65 58.71 1nku h LYS 29 Cb 0.23 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1nku h LYS 29 CO -0.02 0.63 -0.03 0.87 -2.00 0.00 0.00 179.45 178.91 1nku h LYS 30 N 0.63 0.53 -0.59 0.07 1.57 -1.91 -1.91 116.57 114.96 1nku h LYS 30 Ca 0.16 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1nku h LYS 30 Cb 0.18 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1nku h LYS 30 CO -0.01 0.70 0.33 -0.07 -0.57 0.00 0.00 179.45 179.83 1nku h LEU 31 N 0.31 0.73 -0.65 2.94 3.38 -1.10 -1.01 115.31 119.92 1nku h LEU 31 Ca 0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nku h LEU 31 Cb 0.48 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1nku h LEU 31 CO 0.02 0.60 0.40 0.15 0.09 0.00 0.00 178.44 179.70 1nku h PHE 32 N 0.80 0.84 -0.15 1.13 3.57 -0.89 -1.64 116.94 120.60 1nku h PHE 32 Ca 0.21 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1nku h PHE 32 Cb 0.03 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1nku h PHE 32 CO -0.01 0.56 -0.13 0.93 -2.23 0.00 0.00 178.31 177.43 1nku h GLU 33 N 0.88 0.23 -0.01 1.11 4.39 -0.87 -2.81 114.58 117.50 1nku h GLU 33 Ca 0.23 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1nku h GLU 33 Cb -0.04 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1nku h GLU 33 CO -0.05 0.37 0.01 1.98 -1.16 0.00 0.00 179.01 180.16 1nku h MET 34 N 0.22 0.01 -0.19 2.33 4.05 -0.21 0.25 114.93 121.39 1nku h MET 34 Ca 0.05 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1nku h MET 34 Cb 0.38 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1nku h MET 34 CO 0.02 0.05 0.06 0.82 0.23 0.00 0.00 176.91 178.09 1nku h ILE 35 N -0.03 1.19 -0.04 1.77 1.08 -1.34 0.67 117.51 120.81 1nku h ILE 35 Ca 0.00 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1nku h ILE 35 Cb 0.04 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1nku h ILE 35 CO -0.00 0.19 -0.00 0.00 -0.69 0.00 0.00 178.15 177.65 1nku h LEU 37 N -0.23 0.98 -1.13 0.00 3.38 -0.51 -3.11 115.31 114.68 1nku h LEU 37 Ca 0.01 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1nku h LEU 37 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1nku h LEU 37 CO 0.00 1.29 0.16 -0.08 0.09 0.00 0.00 178.44 179.91 1nku h GLU 38 N 0.70 0.77 -0.51 1.13 4.81 0.36 -1.64 114.58 120.20 1nku h GLU 38 Ca 0.03 -0.14 0.15 0.00 -0.13 0.00 0.00 59.36 59.27 1nku h GLU 38 Cb 1.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1nku h GLU 38 CO 0.11 0.67 0.40 0.78 -0.73 0.00 0.00 179.01 180.24 1nku h GLY 39 N 0.92 0.00 0.89 1.92 0.00 -1.22 0.85 103.07 106.43 1nku h GLY 39 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.63 1nku h GLY 39 CO -0.01 0.00 0.44 -1.61 0.00 0.00 0.00 176.54 175.37 1nku h GLN 40 N 0.00 0.38 -0.72 4.80 5.75 -1.38 -0.97 115.11 122.97 1nku h GLN 40 Ca 0.24 -0.02 0.20 0.00 -0.15 0.00 0.00 58.65 58.92 1nku h GLN 40 Cb 1.03 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 1nku h GLN 40 CO -0.00 0.25 0.51 -0.56 -2.65 0.00 0.00 178.83 176.38 1nku h GLN 41 N 0.39 0.08 -5.96 1.69 -0.00 -0.98 -3.38 115.11 106.96 1nku h GLN 41 Ca 0.31 -0.00 -0.72 0.00 -0.00 0.00 0.00 58.65 58.24 1nku h GLN 41 Cb 0.70 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 28.12 1nku h GLN 41 CO -0.09 0.05 1.38 0.00 -0.00 0.00 0.00 178.83 180.17 1nku n ALA 42 N -2.65 0.55 0.00 0.06 0.00 -0.37 0.37 120.51 118.48 1nku n ALA 42 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1nku n ALA 42 Cb 0.74 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 7.10 3.35 3.50 0.00 0.00 -1.26 -5.02 105.19 112.85 1nku n GLY 43 Ca 0.50 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 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 2.71 0.58 0.99 1.43 1.19 -5.13 118.68 120.45 1nku s LEU 44 Ca 0.00 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.19 1nku s LEU 44 Cb 0.00 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1nku s LEU 44 CO 0.00 0.08 0.97 -0.44 0.23 0.00 0.00 176.35 177.19 1nku s SER 45 N -3.03 6.29 0.27 2.29 0.01 -1.26 -4.63 113.70 113.63 1nku s SER 45 Ca 0.25 1.33 -0.03 0.00 1.31 0.00 0.00 55.95 58.82 1nku s SER 45 Cb -0.07 -2.43 0.39 0.00 0.21 0.00 0.00 66.02 64.12 1nku s SER 45 CO 0.14 -0.77 1.91 -0.25 0.41 0.00 0.00 173.24 174.68 1nku h TRP 46 N -0.03 1.18 -0.71 2.43 2.91 -2.00 -2.19 115.95 117.54 1nku h TRP 46 Ca -0.45 0.03 0.05 0.00 1.13 0.00 0.00 58.89 59.65 1nku h TRP 46 Cb 1.19 -0.39 -0.05 0.00 -0.51 0.00 0.00 29.16 29.40 1nku h TRP 46 CO 0.64 0.66 0.42 0.97 -1.03 0.00 0.00 178.44 180.10 1nku h ILE 47 N 1.20 1.03 -0.49 2.65 6.09 -2.01 -1.68 117.51 124.29 1nku h ILE 47 Ca 0.40 -0.27 -0.11 0.00 -1.37 0.00 0.00 64.86 63.51 1nku h ILE 47 Cb 0.05 0.17 -0.02 0.00 0.47 0.00 0.00 36.82 37.49 1nku h ILE 47 CO -0.13 0.14 -0.12 0.74 -3.07 0.00 0.00 178.15 175.72 1nku h THR 48 N 0.79 1.26 -0.67 2.19 2.02 -1.80 -3.10 112.91 113.61 1nku h THR 48 Ca 0.30 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1nku h THR 48 Cb 0.12 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1nku h THR 48 CO -0.15 0.43 0.37 0.58 0.37 0.00 0.00 175.52 177.12 1nku h VAL 49 N 0.82 1.21 -0.33 3.16 2.07 -0.78 -1.71 116.25 120.68 1nku h VAL 49 Ca 0.13 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1nku h VAL 49 Cb 0.65 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1nku h VAL 49 CO 0.04 0.23 0.10 -0.07 0.02 0.00 0.00 177.57 177.89 1nku h LEU 50 N 0.92 0.09 -0.03 2.57 3.38 -1.28 1.45 115.31 122.41 1nku h LEU 50 Ca 0.24 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1nku h LEU 50 Cb 0.04 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1nku h LEU 50 CO -0.04 0.09 0.01 0.11 0.09 0.00 0.00 178.44 178.70 1nku h LYS 51 N 0.23 0.04 -0.21 1.13 1.57 -1.54 -2.46 116.57 115.35 1nku h LYS 51 Ca 0.15 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1nku h LYS 51 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1nku h LYS 51 CO -0.16 0.21 -0.06 0.87 -0.57 0.00 0.00 179.45 179.74 1nku h LYS 52 N -0.13 0.32 -0.80 3.15 1.79 -0.95 -2.27 116.57 117.68 1nku h LYS 52 Ca 0.01 -0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.54 1nku h LYS 52 Cb 0.19 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.70 1nku h LYS 52 CO -0.00 0.40 0.41 -0.09 -1.08 0.00 0.00 179.45 179.08 1nku h ARG 53 N 0.31 0.61 -0.44 3.15 2.43 0.25 0.27 114.38 120.96 1nku h ARG 53 Ca 0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1nku h ARG 53 Cb 0.30 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1nku h ARG 53 CO 0.01 0.40 -0.13 1.49 -1.51 0.00 0.00 179.97 180.24 1nku h GLU 54 N 0.63 0.86 -0.81 0.20 4.57 -1.22 -2.86 114.58 115.95 1nku h GLU 54 Ca 0.42 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1nku h GLU 54 Cb 0.54 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1nku h GLU 54 CO -0.33 0.98 0.35 -0.97 -1.18 0.00 0.00 179.01 177.86 1nku h ASN 55 N 0.69 1.10 -0.50 1.04 -0.00 -0.87 -2.51 115.58 114.53 1nku h ASN 55 Ca 0.11 -0.16 0.05 0.00 -0.00 0.00 0.00 56.30 56.30 1nku h ASN 55 Cb 0.67 -0.28 -0.05 0.00 -0.00 0.00 0.00 38.32 38.66 1nku h ASN 55 CO 0.05 0.95 0.24 1.88 -0.00 0.00 0.00 177.43 180.55 1nku h TYR 56 N 1.17 0.44 -0.06 0.67 -1.99 -0.39 0.12 116.97 116.93 1nku h TYR 56 Ca 0.27 0.02 0.02 0.00 2.00 0.00 0.00 58.73 61.04 1nku h TYR 56 Cb 0.18 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 1nku h TYR 56 CO 0.02 0.21 0.04 0.00 -0.00 0.00 0.00 178.16 178.43 1nku h ARG 57 N 0.47 0.00 -0.29 4.88 3.08 -1.24 0.78 114.38 122.06 1nku h ARG 57 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1nku h ARG 57 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1nku h ARG 57 CO -0.17 0.00 0.19 0.00 -1.07 0.00 0.00 179.97 178.92 1nku h ALA 58 N 1.97 0.36 0.06 0.04 0.00 -0.38 -2.54 119.26 118.77 1nku h ALA 58 Ca 0.03 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1nku h ALA 58 Cb 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1nku h ALA 58 CO -0.00 -0.16 -2.17 0.00 0.00 0.00 0.00 179.25 176.92 1nku h PHE 60 N 0.03 0.22 -0.81 0.00 0.04 0.47 -2.99 116.94 113.90 1nku h PHE 60 Ca -0.48 -0.07 0.23 0.00 2.80 0.00 0.00 57.97 60.46 1nku h PHE 60 Cb 2.00 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 40.07 1nku h PHE 60 CO 0.05 0.62 0.58 0.45 -0.60 0.00 0.00 178.31 179.41 1nku h HIS 61 N -0.24 0.01 -0.88 -0.55 3.86 -1.59 0.80 115.15 116.55 1nku h HIS 61 Ca 0.01 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.37 1nku h HIS 61 Cb 0.58 -0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.98 1nku h HIS 61 CO 0.09 0.00 0.57 0.37 0.86 0.00 0.00 177.93 179.82 1nku h GLN 62 N 0.00 0.64 -2.75 2.45 4.15 -1.72 -2.17 115.11 115.71 1nku h GLN 62 Ca 0.38 -0.04 -0.81 0.00 0.77 0.00 0.00 58.65 58.96 1nku h GLN 62 Cb 1.54 -0.14 -0.27 0.00 0.21 0.00 0.00 27.48 28.81 1nku h GLN 62 CO -0.01 0.43 0.94 1.19 -1.93 0.00 0.00 178.83 179.45 1nku n PHE 63 N -4.55 2.39 -0.78 3.99 3.72 0.28 -4.96 117.46 117.55 1nku n PHE 63 Ca 0.17 -2.57 -0.28 0.00 -0.05 0.00 0.00 57.45 54.72 1nku n PHE 63 Cb 0.47 -1.28 0.03 0.00 -0.94 0.00 0.00 39.48 37.77 1nku n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1nku n ASP 64 N 1.05 -4.35 -0.33 4.37 5.75 -0.82 -2.56 116.55 119.66 1nku n ASP 64 Ca 0.33 0.18 0.21 0.00 -0.01 0.00 0.00 54.79 55.50 1nku n ASP 64 Cb 0.31 -0.58 0.41 0.00 -1.03 0.00 0.00 41.12 40.22 1nku n ASP 64 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1nku h PRO 65 N -0.66 0.02 -0.10 0.11 0.11 -1.91 0.39 132.00 129.97 1nku h PRO 65 Ca -0.33 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 1nku h PRO 65 Cb 1.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1nku h PRO 65 CO 0.19 0.02 -0.40 0.28 -0.21 0.00 0.00 178.00 177.88 1nku h VAL 66 N 0.02 1.39 -0.31 3.15 2.07 -1.96 -2.44 116.25 118.17 1nku h VAL 66 Ca 0.69 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1nku h VAL 66 Cb 1.61 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 1nku h VAL 66 CO -0.85 0.52 0.13 0.50 0.02 0.00 0.00 177.57 177.89 1nku h LYS 67 N 0.02 0.47 -0.70 1.57 1.63 -0.75 -2.29 116.57 116.52 1nku h LYS 67 Ca -0.02 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1nku h LYS 67 Cb 1.04 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.56 1nku h LYS 67 CO 0.08 0.47 0.31 -0.24 -3.45 0.00 0.00 179.45 176.62 1nku h VAL 68 N 0.36 1.23 0.00 2.00 3.04 -0.14 0.13 116.25 122.87 1nku h VAL 68 Ca 0.10 -0.68 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 1nku h VAL 68 Cb 0.18 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1nku h VAL 68 CO -0.01 0.28 -0.04 0.00 -1.01 0.00 0.00 177.57 176.79 1nku h ALA 69 N 1.34 1.30 -0.38 3.17 0.00 -1.12 -0.24 119.26 123.34 1nku h ALA 69 Ca 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1nku h ALA 69 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nku h ALA 69 CO -0.03 0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.30 1nku n ALA 70 N -2.24 3.44 -1.90 0.00 0.00 0.32 -4.84 120.51 115.29 1nku n ALA 70 Ca -0.02 -2.33 -0.31 0.00 0.00 0.00 0.00 53.44 50.78 1nku n ALA 70 Cb 0.15 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.88 3.67 0.24 0.00 -1.94 -0.10 -5.02 119.30 113.27 1nku s MET 71 Ca 0.46 0.74 0.07 0.00 -1.71 0.00 0.00 55.69 55.25 1nku s MET 71 Cb 0.37 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 1nku s MET 71 CO 0.10 -0.47 0.18 -0.65 -0.01 0.00 0.00 175.02 174.16 1nku s GLN 72 N -4.91 2.90 0.43 2.03 -0.21 -1.26 -5.00 119.66 113.64 1nku s GLN 72 Ca 0.55 -1.05 0.11 0.00 0.02 0.00 0.00 55.36 54.99 1nku s GLN 72 Cb -0.11 -2.56 0.96 0.00 1.00 0.00 0.00 33.01 32.31 1nku s GLN 72 CO 0.49 0.41 2.02 0.93 -2.12 0.00 0.00 175.29 177.01 1nku h GLU 73 N 1.63 0.45 -0.21 2.91 5.08 -2.01 0.40 114.58 122.82 1nku h GLU 73 Ca -0.48 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1nku h GLU 73 Cb 1.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1nku h GLU 73 CO 0.61 0.30 0.12 0.93 -1.00 0.00 0.00 179.01 179.96 1nku h GLU 74 N 0.46 0.28 -0.83 2.33 5.08 -2.01 -1.98 114.58 117.92 1nku h GLU 74 Ca 0.21 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1nku h GLU 74 Cb 0.26 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1nku h GLU 74 CO -0.06 0.21 0.40 -0.44 -1.00 0.00 0.00 179.01 178.13 1nku h ASP 75 N 0.29 1.08 -0.44 1.42 3.32 -1.30 -2.61 116.42 118.18 1nku h ASP 75 Ca 0.08 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1nku h ASP 75 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1nku h ASP 75 CO -0.01 0.90 0.05 -0.37 -1.72 0.00 0.00 179.24 178.09 1nku h VAL 76 N 1.18 1.25 -0.99 -1.35 -1.51 -1.39 -2.57 116.25 110.86 1nku h VAL 76 Ca 0.29 -0.93 0.09 0.00 -1.23 0.00 0.00 66.70 64.91 1nku h VAL 76 Cb 0.11 1.00 -0.07 0.00 -2.13 0.00 0.00 31.29 30.20 1nku h VAL 76 CO -0.04 0.32 0.63 -0.33 -1.23 0.00 0.00 177.57 176.93 1nku h GLU 77 N 0.59 1.04 -0.71 5.19 5.08 -1.37 -0.50 114.58 123.91 1nku h GLU 77 Ca 0.13 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1nku h GLU 77 Cb 0.41 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1nku h GLU 77 CO 0.01 0.69 0.30 -0.09 -1.00 0.00 0.00 179.01 178.92 1nku h ARG 78 N 1.07 1.05 -0.04 2.33 2.43 -1.11 -2.40 114.38 117.71 1nku h ARG 78 Ca 0.46 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1nku h ARG 78 Cb 0.32 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1nku h ARG 78 CO -0.21 0.86 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.68 1nku h LEU 79 N 1.01 0.08 -1.06 3.80 3.38 -0.77 -0.97 115.31 120.77 1nku h LEU 79 Ca 0.24 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.36 1nku h LEU 79 Cb 0.19 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 1nku h LEU 79 CO -0.02 0.44 0.62 0.58 0.09 0.00 0.00 178.44 180.14 1nku h VAL 80 N 0.07 0.73 0.00 1.22 2.07 -0.64 -3.03 116.25 116.67 1nku h VAL 80 Ca 0.01 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 1nku h VAL 80 Cb 0.68 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1nku h VAL 80 CO 0.05 0.14 -1.06 0.00 0.02 0.00 0.00 177.57 176.72 1nku n GLN 81 N -4.72 0.52 -1.49 1.57 6.02 -1.06 -4.86 117.38 113.37 1nku n GLN 81 Ca 0.22 0.51 -0.29 0.00 -0.01 0.00 0.00 57.00 57.43 1nku n GLN 81 Cb 0.55 -1.69 0.13 0.00 1.02 0.00 0.00 30.24 30.25 1nku n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nku s ASP 82 N -6.41 3.73 0.00 1.08 1.01 -0.39 -3.87 116.67 111.81 1nku s ASP 82 Ca -0.24 1.12 0.00 0.00 0.71 0.00 0.00 52.55 54.14 1nku s ASP 82 Cb 0.05 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.22 1nku s ASP 82 CO 0.43 -2.43 0.00 0.00 0.21 0.00 0.00 175.17 173.38 1nku n ALA 83 N -3.71 0.00 -2.62 5.23 0.00 -1.26 -4.43 120.51 113.72 1nku n ALA 83 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.31 1nku n ALA 83 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 1nku n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 84 N 0.00 -0.39 3.73 0.00 0.00 -1.25 -4.99 105.19 102.29 1nku n GLY 84 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1nku n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nku s ILE 85 N -3.01 2.88 0.42 -0.61 -5.25 -1.26 -5.07 121.20 109.30 1nku s ILE 85 Ca 0.12 -1.70 -0.21 0.00 -0.99 0.00 0.00 60.65 57.87 1nku s ILE 85 Cb -0.05 -2.97 -0.15 0.00 2.95 0.00 0.00 42.46 42.24 1nku s ILE 85 CO 0.15 -0.15 0.20 -0.38 -1.79 0.00 0.00 174.94 172.97 1nku n ILE 86 N -1.17 0.95 -4.20 8.37 5.41 -1.26 -4.94 119.36 122.53 1nku n ILE 86 Ca -0.03 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.91 1nku n ILE 86 Cb 0.62 -0.15 -0.08 0.00 -0.71 0.00 0.00 39.64 39.32 1nku n ILE 86 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1nku s ARG 87 N -1.18 2.77 0.00 0.38 0.52 -1.26 -4.92 118.95 115.27 1nku s ARG 87 Ca 0.61 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1nku s ARG 87 Cb -0.62 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1nku s ARG 87 CO 0.61 0.60 0.00 -2.39 0.02 0.00 0.00 175.30 174.14 1nku n HIS 88 N 1.05 0.00 0.00 -0.53 1.44 -1.26 -5.04 115.22 110.88 1nku n HIS 88 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1nku n HIS 88 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1nku n HIS 88 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1nku n ARG 89 N -0.05 0.00 -0.31 -1.40 0.00 -1.26 -3.63 116.66 110.00 1nku n ARG 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1nku n ARG 89 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 32.46 32.64 1nku n ARG 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1nku h GLY 90 N 0.00 1.30 0.99 5.14 0.00 -2.00 -1.91 103.07 106.59 1nku h GLY 90 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1nku h GLY 90 CO 0.00 0.42 0.31 1.70 0.00 0.00 0.00 176.54 178.97 1nku h LYS 91 N 1.18 0.88 -0.65 4.80 1.63 -1.97 -2.20 116.57 120.23 1nku h LYS 91 Ca 0.35 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1nku h LYS 91 Cb -0.05 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 1nku h LYS 91 CO -0.09 0.69 0.43 0.82 -3.45 0.00 0.00 179.45 177.85 1nku h ILE 92 N 0.84 1.17 -0.75 2.00 2.04 -1.67 -1.42 117.51 119.72 1nku h ILE 92 Ca 0.21 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1nku h ILE 92 Cb 0.10 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 1nku h ILE 92 CO -0.03 0.16 0.49 -0.61 0.00 0.00 0.00 178.15 178.16 1nku h GLN 93 N 0.88 0.81 -0.65 2.37 4.15 -0.97 -0.39 115.11 121.31 1nku h GLN 93 Ca 0.24 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 1nku h GLN 93 Cb -0.10 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.38 1nku h GLN 93 CO -0.05 0.54 0.34 0.00 -1.93 0.00 0.00 178.83 177.72 1nku h ALA 94 N 1.58 1.38 -0.56 3.38 0.00 -0.66 -2.16 119.26 122.21 1nku h ALA 94 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nku h ALA 94 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nku h ALA 94 CO -0.10 0.50 0.36 0.82 0.00 0.00 0.00 179.25 180.83 1nku h ILE 95 N 0.91 1.16 -0.55 0.00 2.04 -0.75 -1.92 117.51 118.39 1nku h ILE 95 Ca 0.23 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1nku h ILE 95 Cb 0.05 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1nku h ILE 95 CO -0.03 0.16 0.28 0.40 0.00 0.00 0.00 178.15 178.95 1nku h ILE 96 N 0.76 0.94 -0.79 -0.67 2.04 -1.19 -1.44 117.51 117.17 1nku h ILE 96 Ca 0.20 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1nku h ILE 96 Cb -0.05 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1nku h ILE 96 CO -0.04 0.10 0.48 1.23 0.00 0.00 0.00 178.15 179.92 1nku h GLY 97 N 0.53 1.14 0.98 5.37 0.00 -1.14 -2.06 103.07 107.88 1nku h GLY 97 Ca 0.25 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1nku h GLY 97 CO -0.17 0.45 0.38 -0.57 0.00 0.00 0.00 176.54 176.63 1nku h ASN 98 N 1.08 0.66 -0.25 0.19 -1.24 -0.51 0.15 115.58 115.65 1nku h ASN 98 Ca 0.28 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.25 1nku h ASN 98 Cb -0.06 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1nku h ASN 98 CO -0.05 0.47 0.05 0.00 -1.29 0.00 0.00 177.43 176.61 1nku h ALA 99 N 1.22 0.34 -0.75 1.57 0.00 -1.01 0.93 119.26 121.56 1nku h ALA 99 Ca 0.22 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nku h ALA 99 Cb -0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1nku h ALA 99 CO -0.06 0.01 0.49 -0.09 0.00 0.00 0.00 179.25 179.60 1nku h ARG 100 N 0.23 0.99 -0.14 0.00 2.43 -1.03 0.39 114.38 117.25 1nku h ARG 100 Ca 0.08 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 1nku h ARG 100 Cb 0.31 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1nku h ARG 100 CO 0.00 0.66 -0.69 0.00 -1.51 0.00 0.00 179.97 178.44 1nku h ALA 101 N 1.27 0.27 -0.28 2.80 0.00 -0.48 -2.58 119.26 120.24 1nku h ALA 101 Ca 0.27 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1nku h ALA 101 Cb -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nku h ALA 101 CO -0.06 0.58 0.10 -0.92 0.00 0.00 0.00 179.25 178.96 1nku h TYR 102 N 0.40 0.45 -0.71 0.00 5.03 0.13 -2.68 116.97 119.59 1nku h TYR 102 Ca -0.05 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.18 1nku h TYR 102 Cb 1.33 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 39.44 1nku h TYR 102 CO 0.10 0.46 0.29 1.25 -1.32 0.00 0.00 178.16 178.94 1nku h LEU 103 N 0.30 0.96 -0.86 2.82 5.85 -0.28 -2.54 115.31 121.56 1nku h LEU 103 Ca 0.09 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1nku h LEU 103 Cb 0.22 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1nku h LEU 103 CO -0.01 0.85 0.56 -0.61 -0.34 0.00 0.00 178.44 178.89 1nku h GLN 104 N 1.03 1.14 -0.62 1.25 5.75 -1.24 -0.52 115.11 121.90 1nku h GLN 104 Ca 0.24 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1nku h GLN 104 Cb 0.18 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1nku h GLN 104 CO -0.02 0.77 0.25 1.98 -2.65 0.00 0.00 178.83 179.15 1nku h MET 105 N 1.17 0.92 -0.00 1.69 4.05 -1.13 -2.32 114.93 119.31 1nku h MET 105 Ca 0.32 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 1nku h MET 105 Cb -0.12 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.52 1nku h MET 105 CO -0.07 0.78 -0.38 1.49 0.23 0.00 0.00 176.91 178.96 1nku h GLU 106 N 0.86 0.01 -0.77 0.39 4.81 -1.12 -2.66 114.58 116.09 1nku h GLU 106 Ca 0.21 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.63 1nku h GLU 106 Cb 0.20 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1nku h GLU 106 CO -0.02 0.38 0.53 0.37 -0.73 0.00 0.00 179.01 179.55 1nku h GLN 107 N 0.01 0.18 -0.04 1.92 5.75 -0.52 1.16 115.11 123.57 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1nku h GLN 107 Cb 0.67 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.18 1nku h GLN 107 CO 0.05 0.12 0.00 0.09 -2.65 0.00 0.00 178.83 176.44 1nku n ASN 108 N -4.40 0.65 -0.26 -0.69 3.02 -1.00 -4.87 115.26 107.70 1nku n ASN 108 Ca 0.16 -1.40 -0.02 0.00 -0.03 0.00 0.00 54.58 53.28 1nku n ASN 108 Cb 0.71 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.99 0.32 3.08 7.41 0.00 0.40 -5.00 105.19 112.38 1nku n GLY 109 Ca 0.18 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.78 2.28 0.13 1.61 2.02 -1.21 -5.04 118.70 114.71 1nku s GLU 110 Ca 0.00 -2.32 -0.35 0.00 0.02 0.00 0.00 54.97 52.32 1nku s GLU 110 Cb 0.00 -3.61 -0.16 0.00 0.10 0.00 0.00 34.13 30.46 1nku s GLU 110 CO 0.00 -1.13 1.26 -2.30 0.02 0.00 0.00 175.26 173.11 1nku n PRO 111 N 3.77 1.19 -0.24 0.39 -0.02 -1.26 -4.15 135.00 134.67 1nku n PRO 111 Ca 0.05 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 1nku n PRO 111 Cb 0.38 -2.00 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1nku n PRO 111 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1nku h PHE 112 N 3.99 0.91 -0.48 6.00 3.57 -1.93 -2.63 116.94 126.37 1nku h PHE 112 Ca -0.45 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 1nku h PHE 112 Cb 1.34 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1nku h PHE 112 CO 0.57 0.62 0.18 0.00 -2.23 0.00 0.00 178.31 177.45 1nku h ALA 113 N 1.21 0.62 -0.87 2.41 0.00 -1.89 -2.39 119.26 118.35 1nku h ALA 113 Ca 0.24 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1nku h ALA 113 Cb -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1nku h ALA 113 CO -0.04 0.25 0.56 -0.44 0.00 0.00 0.00 179.25 179.57 1nku h ASP 114 N 0.63 0.82 -0.53 0.00 3.32 -1.86 -0.33 116.42 118.48 1nku h ASP 114 Ca 0.16 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1nku h ASP 114 Cb 0.22 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1nku h ASP 114 CO -0.01 0.51 0.29 0.15 -1.72 0.00 0.00 179.24 178.46 1nku h PHE 115 N 0.93 0.54 -0.08 4.55 3.57 -1.08 0.78 116.94 126.15 1nku h PHE 115 Ca 0.38 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1nku h PHE 115 Cb 0.29 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1nku h PHE 115 CO -0.00 0.29 0.03 0.28 -2.23 0.00 0.00 178.31 176.67 1nku h VAL 116 N 0.57 1.16 -0.37 1.41 2.07 -0.89 -2.36 116.25 117.84 1nku h VAL 116 Ca 0.22 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1nku h VAL 116 Cb 0.08 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1nku h VAL 116 CO -0.13 0.13 0.16 -0.50 0.02 0.00 0.00 177.57 177.26 1nku h TRP 117 N -0.05 0.50 -0.76 1.57 4.06 -0.60 -1.72 115.95 118.94 1nku h TRP 117 Ca 0.02 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.04 1nku h TRP 117 Cb 0.19 -0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.14 1nku h TRP 117 CO -0.01 0.39 0.50 1.03 -3.56 0.00 0.00 178.44 176.78 1nku h SER 118 N 0.51 0.67 -0.53 -3.49 0.87 0.11 0.48 113.55 112.17 1nku h SER 118 Ca 0.13 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1nku h SER 118 Cb 0.08 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1nku h SER 118 CO -0.02 0.42 0.35 -0.26 -0.53 0.00 0.00 176.83 176.80 1nku h PHE 119 N 0.76 0.66 -0.61 2.24 -1.00 -1.07 -0.22 116.94 117.70 1nku h PHE 119 Ca 0.34 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.13 1nku h PHE 119 Cb 0.33 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1nku h PHE 119 CO -0.00 0.41 0.00 1.33 -1.61 0.00 0.00 178.31 178.44 1nku n VAL 120 N -4.46 1.56 -2.97 -0.55 0.24 -0.18 -4.92 118.33 107.04 1nku n VAL 120 Ca 0.05 -1.17 -0.22 0.00 -2.04 0.00 0.00 64.34 60.96 1nku n VAL 120 Cb 0.06 0.24 0.03 0.00 -1.47 0.00 0.00 33.84 32.70 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 1.08 -5.98 -3.46 -1.34 5.15 0.38 -1.52 115.26 109.57 1nku n ASN 121 Ca 0.24 -0.26 -0.25 0.00 -0.60 0.00 0.00 54.58 53.70 1nku n ASN 121 Cb 0.77 -4.85 0.04 0.00 -0.53 0.00 0.00 39.78 35.21 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 -4.43 -2.31 -3.93 1.20 -0.00 0.14 -4.94 115.22 100.95 1nku n HIS 122 Ca -0.12 0.76 -0.30 0.00 0.46 0.00 0.00 57.72 58.52 1nku n HIS 122 Cb 0.62 -4.33 -0.14 0.00 -0.12 0.00 0.00 29.99 26.02 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 -6.16 1.77 0.43 1.57 0.74 -0.58 -5.10 119.66 112.34 1nku s GLN 123 Ca 0.49 -2.38 -0.23 0.00 0.05 0.00 0.00 55.36 53.29 1nku s GLN 123 Cb -0.23 -3.14 -0.11 0.00 1.10 0.00 0.00 33.01 30.63 1nku s GLN 123 CO 0.61 -1.08 0.85 -2.30 -0.55 0.00 0.00 175.29 172.82 1nku n PRO 124 N 3.40 1.04 -4.35 1.67 -0.02 -1.26 -4.95 135.00 130.53 1nku n PRO 124 Ca 0.05 0.38 -0.28 0.00 -2.02 0.00 0.00 63.50 61.63 1nku n PRO 124 Cb 0.34 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 1nku n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nku s GLN 125 N -1.92 1.70 0.15 -0.52 -0.21 0.70 -5.04 119.66 114.51 1nku s GLN 125 Ca 0.64 -1.33 0.07 0.00 0.02 0.00 0.00 55.36 54.76 1nku s GLN 125 Cb -0.56 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1nku s GLN 125 CO 0.56 0.44 -0.16 -1.64 -2.12 0.00 0.00 175.29 172.37 1nku s MET 126 N -2.44 1.17 0.28 2.91 -1.94 -1.26 -2.24 119.30 115.79 1nku s MET 126 Ca 0.20 -1.35 -0.12 0.00 -1.71 0.00 0.00 55.69 52.71 1nku s MET 126 Cb -0.09 -1.14 -0.08 0.00 2.01 0.00 0.00 34.83 35.53 1nku s MET 126 CO 0.10 0.22 0.64 -0.08 -0.01 0.00 0.00 175.02 175.90 1nku s THR 127 N -2.16 4.82 -0.31 2.05 -1.32 -0.87 -4.80 115.64 113.05 1nku s THR 127 Ca 0.13 0.65 0.19 0.00 -1.21 0.00 0.00 61.69 61.45 1nku s THR 127 Cb -0.05 -3.63 0.47 0.00 -1.51 0.00 0.00 72.50 67.78 1nku s THR 127 CO 0.05 -0.17 1.03 0.00 -2.21 0.00 0.00 174.62 173.32 1nku n GLN 128 N -0.37 1.31 -1.49 7.08 6.02 -1.26 -4.94 117.38 123.72 1nku n GLN 128 Ca 0.02 -3.19 0.00 0.00 -0.01 0.00 0.00 57.00 53.82 1nku n GLN 128 Cb 0.53 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.56 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nku n ALA 129 N -0.27 0.00 -0.05 -1.58 0.00 -1.26 -5.07 120.51 112.28 1nku n ALA 129 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1nku n ALA 129 Cb 0.82 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.19 1nku n ALA 129 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nku n THR 130 N -0.36 0.69 -4.28 0.00 -1.04 -1.26 -4.16 114.28 103.87 1nku n THR 130 Ca 0.00 -0.42 -0.21 0.00 -2.04 0.00 0.00 64.05 61.38 1nku n THR 130 Cb 0.00 -0.74 -0.11 0.00 -1.82 0.00 0.00 70.33 67.65 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 -2.24 1.56 0.42 12.58 2.01 -1.26 -4.69 115.64 124.02 1nku s THR 131 Ca -0.06 -1.72 0.10 0.00 0.31 0.00 0.00 61.69 60.32 1nku s THR 131 Cb 0.03 -1.61 0.22 0.00 0.01 0.00 0.00 72.50 71.15 1nku s THR 131 CO 0.41 -0.29 2.01 -0.07 -0.69 0.00 0.00 174.62 175.98 1nku h LEU 132 N 3.60 0.28 -1.77 4.42 4.07 -1.95 -1.49 115.31 122.46 1nku h LEU 132 Ca -0.42 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.51 1nku h LEU 132 Cb 1.20 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1nku h LEU 132 CO 0.48 0.31 0.09 0.77 -1.08 0.00 0.00 178.44 179.00 1nku h SER 133 N 0.31 0.21 0.29 -0.43 4.64 -2.03 -0.91 113.55 115.63 1nku h SER 133 Ca 0.08 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1nku h SER 133 Cb 0.15 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1nku h SER 133 CO -0.00 0.18 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.50 1nku h GLU 134 N 0.24 0.03 -6.56 4.77 4.39 -1.68 -3.42 114.58 112.35 1nku h GLU 134 Ca 0.06 -0.01 -0.53 0.00 0.34 0.00 0.00 59.36 59.23 1nku h GLU 134 Cb 0.02 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1nku h GLU 134 CO -0.01 0.33 0.76 0.42 -1.16 0.00 0.00 179.01 179.35 1nku s ILE 135 N -4.35 3.16 0.26 3.13 1.09 -0.35 -4.97 121.20 119.17 1nku s ILE 135 Ca -0.03 0.84 -0.30 0.00 -1.10 0.00 0.00 60.65 60.06 1nku s ILE 135 Cb 0.15 -3.54 -0.09 0.00 -1.06 0.00 0.00 42.46 37.92 1nku s ILE 135 CO 0.72 0.07 1.21 -2.16 -0.10 0.00 0.00 174.94 174.68 1nku s PRO 136 N 1.10 4.49 0.00 2.79 0.04 -1.26 -4.93 135.00 137.24 1nku s PRO 136 Ca 0.66 1.97 0.23 0.00 0.04 0.00 0.00 61.00 63.89 1nku s PRO 136 Cb -0.38 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.04 1nku s PRO 136 CO 0.30 -0.04 1.10 2.41 0.04 0.00 0.00 177.00 180.82 1nku n THR 137 N 1.65 0.00 -3.72 1.26 -1.04 -1.26 -4.58 114.28 106.59 1nku n THR 137 Ca 0.02 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1nku n THR 137 Cb 0.44 0.85 -0.11 0.00 -1.82 0.00 0.00 70.33 69.69 1nku n THR 137 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1nku n SER 138 N -1.10 2.57 -4.82 8.00 7.64 -1.26 -4.74 113.62 119.91 1nku n SER 138 Ca 0.06 -3.12 -0.33 0.00 1.01 0.00 0.00 58.87 56.49 1nku n SER 138 Cb 0.36 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 1nku n SER 138 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nku s THR 139 N -1.44 4.36 0.52 0.44 -4.23 -1.26 -4.91 115.64 109.12 1nku s THR 139 Ca 0.29 1.46 0.25 0.00 -1.18 0.00 0.00 61.69 62.51 1nku s THR 139 Cb 0.01 -3.59 0.40 0.00 1.34 0.00 0.00 72.50 70.66 1nku s THR 139 CO -0.14 -0.32 1.98 1.55 -0.54 0.00 0.00 174.62 177.15 1nku h PRO 140 N 1.87 0.04 -0.20 3.99 0.13 -2.00 -0.70 132.00 135.14 1nku h PRO 140 Ca -0.49 -0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 1nku h PRO 140 Cb 1.18 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1nku h PRO 140 CO 0.61 0.03 -0.62 0.00 -0.23 0.00 0.00 178.00 177.79 1nku h ALA 141 N 1.72 0.35 -0.39 -0.56 0.00 -1.96 -2.08 119.26 116.34 1nku h ALA 141 Ca 0.27 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1nku h ALA 141 Cb 1.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1nku h ALA 141 CO -0.01 0.61 0.20 0.77 0.00 0.00 0.00 179.25 180.81 1nku h SER 142 N 0.51 0.50 -0.39 0.00 0.02 -1.51 0.70 113.55 113.39 1nku h SER 142 Ca -0.02 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1nku h SER 142 Cb 1.24 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1nku h SER 142 CO 0.13 0.47 0.14 -0.78 -1.14 0.00 0.00 176.83 175.65 1nku h ASP 143 N 0.49 0.54 -0.28 3.07 3.58 -1.44 -1.51 116.42 120.88 1nku h ASP 143 Ca 0.13 -0.18 -0.14 0.00 0.42 0.00 0.00 57.03 57.26 1nku h ASP 143 Cb 0.10 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1nku h ASP 143 CO -0.02 0.58 -0.33 0.00 -2.88 0.00 0.00 179.24 176.58 1nku h ALA 144 N 0.99 0.74 -0.24 -0.78 0.00 -1.13 -2.89 119.26 115.94 1nku h ALA 144 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nku h ALA 144 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nku h ALA 144 CO -0.01 0.66 0.16 1.25 0.00 0.00 0.00 179.25 181.31 1nku h LEU 145 N 0.67 0.27 -0.99 0.00 6.46 0.68 -1.40 115.31 121.00 1nku h LEU 145 Ca 0.07 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1nku h LEU 145 Cb 0.88 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.68 1nku h LEU 145 CO 0.08 0.20 0.64 -1.28 -0.62 0.00 0.00 178.44 177.45 1nku h SER 146 N 0.33 1.02 -0.67 1.25 0.87 -1.21 0.08 113.55 115.21 1nku h SER 146 Ca 0.09 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1nku h SER 146 Cb -0.03 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 1nku h SER 146 CO -0.02 0.65 0.33 0.50 -0.53 0.00 0.00 176.83 177.76 1nku h LYS 147 N 1.16 0.99 0.15 2.24 3.64 -1.17 0.88 116.57 124.46 1nku h LYS 147 Ca 0.43 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1nku h LYS 147 Cb 0.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1nku h LYS 147 CO -0.17 0.76 -0.07 0.00 -2.27 0.00 0.00 179.45 177.69 1nku h ALA 148 N 1.39 -0.21 -0.36 5.00 0.00 0.03 -2.60 119.26 122.51 1nku h ALA 148 Ca 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 148 Cb 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1nku h ALA 148 CO -0.03 -0.44 0.13 -0.07 0.00 0.00 0.00 179.25 178.84 1nku h LEU 149 N -0.56 0.46 -0.91 0.00 4.07 -1.09 -1.91 115.31 115.36 1nku h LEU 149 Ca -0.02 -0.05 0.04 0.00 0.08 0.00 0.00 57.88 57.93 1nku h LEU 149 Cb 0.43 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 1nku h LEU 149 CO 0.03 0.43 0.59 0.50 -1.08 0.00 0.00 178.44 178.91 1nku h LYS 150 N 0.51 1.10 -0.91 1.13 3.64 -0.65 -1.70 116.57 119.69 1nku h LYS 150 Ca 0.13 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1nku h LYS 150 Cb 0.12 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 1nku h LYS 150 CO -0.01 0.73 0.54 0.87 -2.27 0.00 0.00 179.45 179.30 1nku h LYS 151 N 1.14 1.24 0.00 1.90 1.57 -0.96 -0.86 116.57 120.61 1nku h LYS 151 Ca 0.37 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1nku h LYS 151 Cb 0.03 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1nku h LYS 151 CO -0.13 0.88 -0.01 0.00 -0.57 0.00 0.00 179.45 179.62 1nku h ARG 152 N 1.26 0.00 0.00 3.15 -0.00 -1.23 -3.45 114.38 114.11 1nku h ARG 152 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.80 1nku h ARG 152 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.94 1nku h ARG 152 CO -0.06 0.01 0.00 0.41 0.00 0.00 0.00 179.97 180.33 1nku n GLY 153 N -0.57 1.85 3.73 0.04 0.00 -0.33 -4.92 105.19 105.00 1nku n GLY 153 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1nku n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nku s PHE 154 N -2.00 3.57 0.38 1.61 0.40 -0.94 -4.89 117.98 116.11 1nku s PHE 154 Ca 0.00 1.06 0.07 0.00 -0.60 0.00 0.00 56.93 57.47 1nku s PHE 154 Cb 0.00 -2.64 -0.00 0.00 0.51 0.00 0.00 43.02 40.89 1nku s PHE 154 CO 0.00 0.18 0.49 0.15 0.70 0.00 0.00 175.22 176.74 1nku s LYS 155 N 0.51 2.89 -1.19 0.44 1.02 -1.26 -4.50 119.74 117.64 1nku s LYS 155 Ca 0.31 -1.20 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 1nku s LYS 155 Cb -0.17 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1nku s LYS 155 CO 0.14 -0.11 1.02 1.19 -0.92 0.00 0.00 175.35 176.67 1nku n PHE 156 N -1.70 -2.40 -1.17 3.18 3.72 -1.26 -4.90 117.46 112.93 1nku n PHE 156 Ca 0.04 0.91 0.01 0.00 -0.05 0.00 0.00 57.45 58.35 1nku n PHE 156 Cb 0.59 -4.78 0.24 0.00 -0.94 0.00 0.00 39.48 34.59 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1nku n VAL 157 N -4.43 2.51 -1.22 -4.37 0.24 -1.26 -4.85 118.33 104.94 1nku n VAL 157 Ca -0.11 -2.16 -0.38 0.00 -2.04 0.00 0.00 64.34 59.65 1nku n VAL 157 Cb 0.60 -0.30 0.03 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 -0.72 -3.11 0.33 7.63 0.00 -1.26 -4.46 105.19 103.60 1nku n GLY 158 Ca 0.30 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.16 1nku n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nku h THR 159 N -0.22 0.48 -0.09 2.61 2.02 -1.96 -1.63 112.91 114.12 1nku h THR 159 Ca -0.43 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 1nku h THR 159 Cb 1.40 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1nku h THR 159 CO 0.39 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 176.21 1nku h THR 160 N 0.00 1.35 -0.33 3.16 1.03 -1.90 -0.83 112.91 115.38 1nku h THR 160 Ca 0.08 -1.17 -0.08 0.00 -0.01 0.00 0.00 66.41 65.23 1nku h THR 160 Cb 0.46 1.93 -0.02 0.00 -1.07 0.00 0.00 68.15 69.46 1nku h THR 160 CO -0.00 0.33 -0.12 0.40 -0.01 0.00 0.00 175.52 176.12 1nku h ILE 161 N -0.19 1.24 -0.28 0.00 2.04 -1.63 -0.38 117.51 118.31 1nku h ILE 161 Ca 0.02 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1nku h ILE 161 Cb 0.56 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1nku h ILE 161 CO 0.02 0.35 0.02 0.00 0.00 0.00 0.00 178.15 178.54 1nku h TYR 163 N 0.28 0.61 -0.59 0.00 3.20 -0.87 -2.39 116.97 117.21 1nku h TYR 163 Ca 0.08 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1nku h TYR 163 Cb 0.38 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1nku h TYR 163 CO 0.03 0.62 0.34 0.77 -1.64 0.00 0.00 178.16 178.28 1nku h SER 164 N 0.42 0.72 -0.79 -2.11 0.02 -0.96 -1.69 113.55 109.17 1nku h SER 164 Ca 0.11 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1nku h SER 164 Cb 0.33 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1nku h SER 164 CO 0.00 0.57 0.51 0.15 -1.14 0.00 0.00 176.83 176.92 1nku h PHE 165 N 0.82 1.00 -0.61 3.45 3.57 -0.47 -1.76 116.94 122.95 1nku h PHE 165 Ca 0.21 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1nku h PHE 165 Cb -0.01 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.37 1nku h PHE 165 CO 0.00 0.65 0.17 0.52 -2.23 0.00 0.00 178.31 177.42 1nku h MET 166 N 1.07 0.93 -0.38 1.11 2.86 -0.84 -0.47 114.93 119.21 1nku h MET 166 Ca 0.29 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1nku h MET 166 Cb -0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1nku h MET 166 CO -0.06 0.81 0.25 0.37 1.06 0.00 0.00 176.91 179.34 1nku h GLN 167 N 0.89 0.50 -0.17 1.72 4.15 -0.84 -1.24 115.11 120.12 1nku h GLN 167 Ca 0.20 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.39 1nku h GLN 167 Cb 0.28 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1nku h GLN 167 CO -0.01 0.33 -0.69 0.00 -1.93 0.00 0.00 178.83 176.54 1nku h ALA 168 N 1.14 0.47 -0.73 3.38 0.00 -1.20 -2.69 119.26 119.63 1nku h ALA 168 Ca 0.14 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1nku h ALA 168 Cb -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1nku h ALA 168 CO -0.03 0.70 0.42 0.00 0.00 0.00 0.00 179.25 180.34 1nku n GLY 170 N -1.27 0.61 0.35 0.00 0.00 -0.49 -0.52 105.19 103.88 1nku n GLY 170 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 0.74 -8.53 0.99 4.07 -1.84 -3.35 115.31 107.39 1nku h LEU 171 Ca 0.00 0.00 -0.69 0.00 0.08 0.00 0.00 57.88 57.27 1nku h LEU 171 Cb 0.00 -0.16 -0.31 0.00 1.08 0.00 0.00 40.66 41.27 1nku h LEU 171 CO 0.00 0.48 -0.89 0.68 -1.08 0.00 0.00 178.44 177.64 1nku s VAL 172 N -5.74 2.03 -0.41 1.22 -7.23 -1.25 -0.22 120.40 108.80 1nku s VAL 172 Ca -0.10 -1.07 -0.15 0.00 -1.81 0.00 0.00 61.98 58.84 1nku s VAL 172 Cb 0.19 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.45 1nku s VAL 172 CO 0.78 0.57 0.32 0.21 -0.31 0.00 0.00 175.10 176.67 1nku s ASN 173 N -0.34 6.12 -0.54 4.85 2.47 -0.95 -4.69 114.94 121.86 1nku s ASN 173 Ca 0.02 -0.88 0.02 0.00 0.42 0.00 0.00 52.86 52.45 1nku s ASN 173 Cb -0.12 -2.17 0.14 0.00 -1.45 0.00 0.00 41.25 37.65 1nku s ASN 173 CO 0.02 -0.47 0.29 -1.81 -3.72 0.00 0.00 177.10 171.41 1nku s ASP 174 N 1.72 4.56 0.00 -4.21 1.01 -1.26 -2.06 116.67 116.43 1nku s ASP 174 Ca 0.06 -2.93 0.00 0.00 0.71 0.00 0.00 52.55 50.39 1nku s ASP 174 Cb -0.19 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1nku s ASP 174 CO 0.10 -0.27 0.00 1.41 0.21 0.00 0.00 175.17 176.62 1nku n HIS 175 N 3.26 0.00 0.00 4.23 8.25 -1.26 -5.03 115.22 124.67 1nku n HIS 175 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 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 -1.08 0.00 -1.72 1.59 3.14 -1.26 -4.51 118.33 114.48 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 0.14 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.89 1nku n VAL 176 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1nku n VAL 177 N 1.97 0.20 0.00 1.55 0.24 -1.26 -3.81 118.33 117.22 1nku n VAL 177 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1nku n VAL 177 Cb 0.00 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.41 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 3.60 1.11 1.37 7.63 0.00 0.52 -4.89 105.19 114.53 1nku n GLY 178 Ca 0.15 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.27 2.94 0.00 0.00 5.04 0.54 -4.98 117.35 119.62 1nku s TYR 182 Ca 0.00 -3.06 -0.01 0.00 -2.44 0.00 0.00 57.07 51.57 1nku s TYR 182 Cb 0.00 -2.34 -0.00 0.00 0.35 0.00 0.00 41.96 39.96 1nku s TYR 182 CO 0.00 -0.64 0.71 -1.35 -1.34 0.00 0.00 175.55 172.92 1nku h PRO 183 N 5.73 -0.03 0.00 4.97 0.11 -1.92 1.51 132.00 142.38 1nku h PRO 183 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1nku h PRO 183 Cb 0.82 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1nku h PRO 183 CO 0.63 -0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 1nku n GLY 184 N -0.10 1.47 0.57 -0.55 0.00 -1.26 -3.62 105.19 101.71 1nku n GLY 184 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nku n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nku n ASN 185 N 0.00 0.05 -4.11 1.61 3.02 -1.26 -5.10 115.26 109.48 1nku n ASN 185 Ca 0.00 -1.83 -0.12 0.00 -0.03 0.00 0.00 54.58 52.60 1nku n ASN 185 Cb 0.00 -0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 38.90 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nku s LYS 186 N 0.00 0.65 0.00 3.52 1.02 -1.26 -5.24 119.74 118.43 1nku s LYS 186 Ca 0.02 -1.01 0.17 0.00 0.02 0.00 0.00 55.97 55.18 1nku s LYS 186 Cb 0.03 -0.23 1.03 0.00 -0.52 0.00 0.00 37.83 38.14 1nku s LYS 186 CO -0.01 0.01 1.44 -0.35 -0.92 0.00 0.00 175.35 175.52