#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 2.98 0.19 2.12 2.02 -1.26 -5.02 118.70 119.73 1nku s GLU 2 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.08 1nku s GLU 2 Cb 0.00 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 1nku s GLU 2 CO 0.00 0.50 0.34 -0.98 0.02 0.00 0.00 175.26 175.14 1nku s ARG 3 N -3.05 1.27 0.38 1.61 1.70 -1.26 -2.86 118.95 116.75 1nku s ARG 3 Ca 0.31 -1.20 -0.09 0.00 -0.47 0.00 0.00 55.73 54.28 1nku s ARG 3 Cb -0.10 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1nku s ARG 3 CO 0.24 -0.49 0.73 0.00 -1.08 0.00 0.00 175.30 174.70 1nku h GLY 5 N 1.31 0.00 0.08 0.00 0.00 -1.97 -1.94 103.07 100.55 1nku h GLY 5 Ca -0.47 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.09 1nku h GLY 5 CO 0.64 0.00 0.64 1.49 0.00 0.00 0.00 176.54 179.31 1nku h TRP 6 N 0.00 0.58 -2.73 5.60 4.06 -1.92 -3.40 115.95 118.14 1nku h TRP 6 Ca 0.00 0.02 -0.52 0.00 2.06 0.00 0.00 58.89 60.45 1nku h TRP 6 Cb 0.42 -0.17 0.06 0.00 -1.00 0.00 0.00 29.16 28.47 1nku h TRP 6 CO 0.00 0.11 1.01 0.08 -3.56 0.00 0.00 178.44 176.07 1nku s VAL 7 N -5.44 2.00 -2.12 1.49 1.01 -0.73 -4.85 120.40 111.75 1nku s VAL 7 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 61.98 62.06 1nku s VAL 7 Cb 0.24 -3.00 0.41 0.00 0.00 0.00 0.00 36.38 34.03 1nku s VAL 7 CO 0.79 0.00 1.39 -0.24 0.00 0.00 0.00 175.10 177.04 1nku n SER 8 N 3.80 2.30 -0.20 3.32 2.88 -1.26 -4.88 113.62 119.59 1nku n SER 8 Ca 0.15 -1.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.77 1nku n SER 8 Cb 0.35 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1nku n SER 8 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nku n GLN 9 N 0.75 0.00 -5.25 -1.46 -0.06 -1.26 -5.08 117.38 105.01 1nku n GLN 9 Ca 0.16 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.84 1nku n GLN 9 Cb 0.39 -2.02 -0.16 0.00 -4.06 0.00 0.00 30.24 24.38 1nku n GLN 9 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1nku s ASP 10 N -2.69 3.13 0.18 1.69 1.11 -1.26 -5.03 116.67 113.80 1nku s ASP 10 Ca 0.00 -0.48 -0.07 0.00 0.18 0.00 0.00 52.55 52.18 1nku s ASP 10 Cb 0.00 -0.67 0.08 0.00 1.07 0.00 0.00 42.92 43.39 1nku s ASP 10 CO 0.00 0.28 1.55 1.55 1.18 0.00 0.00 175.17 179.73 1nku h PRO 11 N 5.83 0.84 -0.71 8.23 0.13 -1.99 -2.57 132.00 141.76 1nku h PRO 11 Ca -0.37 -0.39 -0.06 0.00 -0.87 0.00 0.00 66.00 64.31 1nku h PRO 11 Cb 1.16 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1nku h PRO 11 CO 0.47 1.03 0.22 1.25 -0.23 0.00 0.00 178.00 180.74 1nku h LEU 12 N 0.70 1.03 -0.28 1.56 6.46 -1.99 -0.52 115.31 122.27 1nku h LEU 12 Ca 0.08 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1nku h LEU 12 Cb 0.87 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1nku h LEU 12 CO 0.08 0.97 0.04 0.22 -0.62 0.00 0.00 178.44 179.13 1nku h TYR 13 N 1.04 0.50 -0.75 1.25 3.20 -1.95 -2.62 116.97 117.64 1nku h TYR 13 Ca 0.23 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1nku h TYR 13 Cb 0.31 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1nku h TYR 13 CO 0.02 0.58 0.35 0.82 -1.64 0.00 0.00 178.16 178.29 1nku h ILE 14 N 0.28 1.24 -0.64 1.81 2.04 -1.22 0.20 117.51 121.22 1nku h ILE 14 Ca 0.09 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1nku h ILE 14 Cb 0.35 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1nku h ILE 14 CO 0.01 0.28 0.39 0.00 0.00 0.00 0.00 178.15 178.83 1nku h ALA 15 N 1.33 0.84 -0.10 1.87 0.00 -0.88 -1.10 119.26 121.21 1nku h ALA 15 Ca 0.26 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1nku h ALA 15 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nku h ALA 15 CO -0.03 0.14 -0.55 -0.92 0.00 0.00 0.00 179.25 177.89 1nku h TYR 16 N 0.77 0.37 -0.25 0.00 3.20 -1.03 -2.53 116.97 117.50 1nku h TYR 16 Ca 0.26 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1nku h TYR 16 Cb 0.04 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 1nku h TYR 16 CO -0.05 0.78 -0.02 1.25 -1.64 0.00 0.00 178.16 178.47 1nku h HIS 17 N 0.23 -0.06 -0.22 -3.82 2.76 0.64 -1.32 115.15 113.36 1nku h HIS 17 Ca 0.00 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.05 1nku h HIS 17 Cb 1.04 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1nku h HIS 17 CO 0.02 -0.07 -0.43 -0.44 -1.30 0.00 0.00 177.93 175.72 1nku h ASP 18 N 0.05 0.76 -0.24 3.26 3.32 -1.38 -3.28 116.42 118.91 1nku h ASP 18 Ca 0.12 -0.54 0.03 0.00 0.02 0.00 0.00 57.03 56.66 1nku h ASP 18 Cb 0.17 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1nku h ASP 18 CO -0.23 1.16 0.05 -1.13 -1.72 0.00 0.00 179.24 177.38 1nku h ASN 19 N 0.39 0.02 0.00 6.45 -0.73 -1.17 -3.47 115.58 117.07 1nku h ASN 19 Ca 0.01 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1nku h ASN 19 Cb 1.03 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.67 1nku h ASN 19 CO 0.10 0.04 0.00 -0.62 -0.37 0.00 0.00 177.43 176.58 1nku n GLU 20 N -5.08 0.00 -2.77 6.67 -0.58 -0.52 -5.05 120.64 113.31 1nku n GLU 20 Ca -0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.70 1nku n GLU 20 Cb 0.10 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.95 1nku n GLU 20 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1nku n TRP 21 N 0.00 -3.27 0.00 -0.32 -0.00 -1.25 -4.40 117.44 108.20 1nku n TRP 21 Ca 0.00 1.69 0.00 0.00 -0.00 0.00 0.00 57.50 59.19 1nku n TRP 21 Cb 0.00 -3.28 0.00 0.00 -0.00 0.00 0.00 31.31 28.03 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 1.39 0.53 3.80 5.87 0.00 -1.14 -4.95 105.19 110.69 1nku n GLY 22 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 5.46 0.14 1.61 1.01 -1.26 -4.58 120.40 120.78 1nku s VAL 23 Ca 0.00 0.20 -0.32 0.00 0.00 0.00 0.00 61.98 61.86 1nku s VAL 23 Cb 0.00 -3.44 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 1nku s VAL 23 CO 0.00 0.53 1.74 -0.81 0.00 0.00 0.00 175.10 176.56 1nku n PRO 24 N 2.76 2.59 -4.51 2.72 -0.04 -1.25 -3.90 135.00 133.37 1nku n PRO 24 Ca -0.18 0.94 -0.34 0.00 -0.04 0.00 0.00 63.50 63.88 1nku n PRO 24 Cb 0.53 -2.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.09 1nku n PRO 24 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nku s GLU 25 N 1.90 3.29 0.00 0.54 2.02 -0.28 -4.97 118.70 121.20 1nku s GLU 25 Ca 0.80 -0.53 0.08 0.00 0.02 0.00 0.00 54.97 55.33 1nku s GLU 25 Cb -0.55 -2.77 0.14 0.00 0.10 0.00 0.00 34.13 31.05 1nku s GLU 25 CO 0.37 0.41 0.97 0.25 0.02 0.00 0.00 175.26 177.28 1nku n THR 26 N 2.99 0.50 -2.83 3.63 -2.24 -1.26 -4.94 114.28 110.12 1nku n THR 26 Ca -0.18 -0.75 -0.43 0.00 -2.27 0.00 0.00 64.05 60.43 1nku n THR 26 Cb 0.53 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.83 6.54 0.28 3.42 1.01 -1.26 -4.90 116.67 120.93 1nku s ASP 27 Ca 0.13 0.23 -0.02 0.00 0.71 0.00 0.00 52.55 53.60 1nku s ASP 27 Cb 0.08 -2.45 0.41 0.00 1.01 0.00 0.00 42.92 41.97 1nku s ASP 27 CO 0.11 -0.98 1.87 0.28 0.21 0.00 0.00 175.17 176.66 1nku h SER 28 N 8.90 0.84 -0.55 0.27 0.02 -1.97 -0.75 113.55 120.30 1nku h SER 28 Ca -0.24 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1nku h SER 28 Cb 1.08 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1nku h SER 28 CO 1.01 0.74 0.35 0.11 -1.14 0.00 0.00 176.83 177.90 1nku h LYS 29 N 0.91 0.69 -0.27 3.45 1.79 -1.99 0.71 116.57 121.86 1nku h LYS 29 Ca 0.22 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1nku h LYS 29 Cb 0.16 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1nku h LYS 29 CO -0.02 0.46 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.56 1nku h LYS 30 N 0.71 0.50 -0.50 3.15 3.64 -1.83 -2.01 116.57 120.23 1nku h LYS 30 Ca 0.21 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1nku h LYS 30 Cb -0.05 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1nku h LYS 30 CO -0.06 0.68 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.70 1nku h LEU 31 N 0.27 0.89 -0.06 5.20 3.38 -0.75 -1.84 115.31 122.40 1nku h LEU 31 Ca 0.07 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nku h LEU 31 Cb 0.47 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1nku h LEU 31 CO 0.02 0.99 0.03 0.15 0.09 0.00 0.00 178.44 179.73 1nku h PHE 32 N 0.76 0.08 -0.12 1.13 3.57 0.49 -2.31 116.94 120.54 1nku h PHE 32 Ca 0.14 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1nku h PHE 32 Cb 0.55 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1nku h PHE 32 CO 0.04 0.11 -0.09 0.93 -2.23 0.00 0.00 178.31 177.07 1nku h GLU 33 N 0.03 0.19 -0.44 1.11 5.08 -1.32 -2.65 114.58 116.58 1nku h GLU 33 Ca 0.02 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1nku h GLU 33 Cb 0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1nku h GLU 33 CO -0.00 0.29 0.27 1.98 -1.00 0.00 0.00 179.01 180.55 1nku h MET 34 N 0.18 0.54 -0.19 2.33 4.05 -0.77 0.82 114.93 121.89 1nku h MET 34 Ca 0.04 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1nku h MET 34 Cb 0.29 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1nku h MET 34 CO 0.02 0.36 0.01 0.82 0.23 0.00 0.00 176.91 178.34 1nku h ILE 35 N 0.55 1.25 -0.44 1.77 1.08 -1.20 -0.92 117.51 119.60 1nku h ILE 35 Ca 0.17 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1nku h ILE 35 Cb -0.02 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1nku h ILE 35 CO -0.06 0.25 0.20 0.00 -0.69 0.00 0.00 178.15 177.86 1nku h LEU 37 N 0.57 0.94 -2.59 0.00 5.85 -0.79 -2.48 115.31 116.82 1nku h LEU 37 Ca 0.15 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1nku h LEU 37 Cb 0.14 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1nku h LEU 37 CO -0.02 0.97 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.73 1nku h GLU 38 N 0.91 0.00 -0.95 1.25 5.08 -0.92 -2.43 114.58 117.52 1nku h GLU 38 Ca 0.18 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.77 1nku h GLU 38 Cb 0.47 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 1nku h GLU 38 CO 0.02 0.00 0.49 0.78 -1.00 0.00 0.00 179.01 179.30 1nku h GLY 39 N 0.00 1.74 1.64 -3.84 0.00 -1.31 0.72 103.07 102.02 1nku h GLY 39 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1nku h GLY 39 CO 0.00 -0.27 0.00 1.46 0.00 0.00 0.00 176.54 177.73 1nku h GLN 40 N 0.48 0.45 -0.90 4.80 4.20 -1.63 -2.51 115.11 120.00 1nku h GLN 40 Ca 0.61 -0.09 0.19 0.00 0.06 0.00 0.00 58.65 59.42 1nku h GLN 40 Cb 1.17 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.81 1nku h GLN 40 CO -0.51 0.48 0.59 0.37 -0.67 0.00 0.00 178.83 179.08 1nku h GLN 41 N 0.44 0.47 -5.98 1.46 4.15 0.31 -3.37 115.11 112.58 1nku h GLN 41 Ca 0.10 -0.03 -0.72 0.00 0.77 0.00 0.00 58.65 58.76 1nku h GLN 41 Cb 0.28 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1nku h GLN 41 CO 0.01 0.31 1.37 0.00 -1.93 0.00 0.00 178.83 178.58 1nku n ALA 42 N -2.49 0.57 0.00 3.38 0.00 -0.95 0.36 120.51 121.38 1nku n ALA 42 Ca 0.19 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1nku n ALA 42 Cb 0.64 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.38 0.00 0.00 0.00 -1.26 -5.00 105.19 107.41 1nku n GLY 43 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.30 0.99 4.32 1.11 -5.16 117.00 113.96 1nku n LEU 44 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1nku n LEU 44 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 1nku n LEU 44 CO 0.00 0.00 -0.50 -0.44 -1.22 0.00 0.00 177.39 175.23 1nku s SER 45 N 0.63 2.60 0.30 -1.43 0.01 -1.26 -4.87 113.70 109.67 1nku s SER 45 Ca 0.00 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.52 1nku s SER 45 Cb 0.00 -0.15 0.54 0.00 0.21 0.00 0.00 66.02 66.63 1nku s SER 45 CO 0.00 0.02 1.88 -0.25 0.41 0.00 0.00 173.24 175.31 1nku h TRP 46 N 3.76 1.07 -0.72 2.43 2.91 -1.99 -1.92 115.95 121.50 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 -0.35 -0.05 0.00 -0.51 0.00 0.00 29.16 29.44 1nku h TRP 46 CO 0.64 0.51 0.43 0.97 -1.03 0.00 0.00 178.44 179.96 1nku h ILE 47 N 1.01 1.03 -0.66 2.65 6.09 -2.01 -1.34 117.51 124.27 1nku h ILE 47 Ca 0.43 -0.28 -0.06 0.00 -1.37 0.00 0.00 64.86 63.58 1nku h ILE 47 Cb 0.31 0.15 -0.03 0.00 0.47 0.00 0.00 36.82 37.73 1nku h ILE 47 CO -0.18 0.15 0.16 0.74 -3.07 0.00 0.00 178.15 175.94 1nku h THR 48 N 0.80 1.25 -0.76 2.19 2.02 -1.78 -2.88 112.91 113.76 1nku h THR 48 Ca 0.31 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1nku h THR 48 Cb 0.13 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1nku h THR 48 CO -0.16 0.36 0.29 0.58 0.37 0.00 0.00 175.52 176.96 1nku h VAL 49 N 1.00 1.26 -0.12 3.16 2.07 -0.91 -2.82 116.25 119.89 1nku h VAL 49 Ca 0.21 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1nku h VAL 49 Cb 0.35 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1nku h VAL 49 CO 0.00 0.33 -0.17 -0.07 0.02 0.00 0.00 177.57 177.68 1nku h LEU 50 N 1.11 -0.53 -0.51 2.57 3.38 -1.07 1.49 115.31 121.76 1nku h LEU 50 Ca 0.25 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1nku h LEU 50 Cb 0.23 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1nku h LEU 50 CO -0.02 -0.22 0.28 0.11 0.09 0.00 0.00 178.44 178.68 1nku h LYS 51 N -0.22 0.54 0.00 1.13 1.57 -1.60 0.22 116.57 118.21 1nku h LYS 51 Ca 0.09 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1nku h LYS 51 Cb 0.35 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1nku h LYS 51 CO -0.25 0.35 -0.14 0.87 -0.57 0.00 0.00 179.45 179.72 1nku h LYS 52 N 0.55 0.00 -0.69 3.15 1.57 -1.00 -2.03 116.57 118.13 1nku h LYS 52 Ca 0.22 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 1nku h LYS 52 Cb 0.08 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 1nku h LYS 52 CO -0.13 0.14 0.29 -0.09 -0.57 0.00 0.00 179.45 179.09 1nku h ARG 53 N 0.00 0.46 -0.55 3.15 2.43 0.54 1.42 114.38 121.83 1nku h ARG 53 Ca -0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1nku h ARG 53 Cb 0.28 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1nku h ARG 53 CO 0.02 0.30 0.19 0.93 -1.51 0.00 0.00 179.97 179.90 1nku h GLU 54 N 0.47 0.85 -0.65 0.20 5.08 -1.23 -1.68 114.58 117.62 1nku h GLU 54 Ca 0.36 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1nku h GLU 54 Cb 0.46 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1nku h GLU 54 CO -0.33 0.76 0.15 -0.97 -1.00 0.00 0.00 179.01 177.62 1nku h ASN 55 N 0.77 0.98 -0.57 1.42 -0.73 -0.62 -2.76 115.58 114.07 1nku h ASN 55 Ca 0.18 -0.20 0.01 0.00 1.87 0.00 0.00 56.30 58.16 1nku h ASN 55 Cb 0.25 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 1nku h ASN 55 CO -0.01 0.95 0.36 0.22 -0.37 0.00 0.00 177.43 178.58 1nku h TYR 56 N 0.99 0.69 -0.60 0.67 3.20 0.23 -1.48 116.97 120.66 1nku h TYR 56 Ca 0.21 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1nku h TYR 56 Cb 0.36 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1nku h TYR 56 CO 0.03 0.42 0.40 0.00 -1.64 0.00 0.00 178.16 177.36 1nku h ARG 57 N 0.74 0.70 0.00 1.82 3.08 -1.04 -0.02 114.38 119.65 1nku h ARG 57 Ca 0.22 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1nku h ARG 57 Cb -0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1nku h ARG 57 CO -0.07 0.47 -0.30 0.00 -1.07 0.00 0.00 179.97 179.00 1nku h ALA 58 N 1.65 1.38 0.00 0.04 0.00 -1.07 0.90 119.26 122.16 1nku h ALA 58 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 58 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nku h ALA 58 CO -0.06 0.38 -1.29 0.00 0.00 0.00 0.00 179.25 178.28 1nku n PHE 60 N -2.58 0.00 -0.27 0.00 3.72 -0.18 -4.60 117.46 113.55 1nku n PHE 60 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 1nku n PHE 60 Cb 0.58 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.22 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nku h HIS 61 N 0.00 0.86 -0.40 1.38 2.76 0.70 -0.58 115.15 119.86 1nku h HIS 61 Ca 0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1nku h HIS 61 Cb 0.89 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1nku h HIS 61 CO 0.00 0.46 0.16 0.37 -1.30 0.00 0.00 177.93 177.62 1nku h GLN 62 N 0.87 0.56 0.00 5.26 4.15 -1.76 -0.63 115.11 123.56 1nku h GLN 62 Ca 0.32 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1nku h GLN 62 Cb 0.10 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1nku h GLN 62 CO -0.14 0.47 0.00 1.19 -1.93 0.00 0.00 178.83 178.41 1nku n PHE 63 N -4.38 0.00 -1.21 3.99 3.01 -0.29 -5.01 117.46 113.57 1nku n PHE 63 Ca 0.03 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.50 1nku n PHE 63 Cb 0.14 -0.14 -0.01 0.00 -0.01 0.00 0.00 39.48 39.47 1nku n PHE 63 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nku n ASP 64 N -1.14 -6.50 -0.07 4.37 2.03 -0.25 -4.19 116.55 110.80 1nku n ASP 64 Ca 0.18 1.42 -0.14 0.00 0.52 0.00 0.00 54.79 56.77 1nku n ASP 64 Cb 0.16 -3.74 -0.06 0.00 -0.72 0.00 0.00 41.12 36.77 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nku h PRO 65 N -0.03 0.61 -0.58 -0.67 0.13 -1.85 -3.15 132.00 126.46 1nku h PRO 65 Ca -0.02 -0.37 0.06 0.00 -0.87 0.00 0.00 66.00 64.80 1nku h PRO 65 Cb 0.79 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.91 1nku h PRO 65 CO 0.01 0.98 0.29 0.28 -0.23 0.00 0.00 178.00 179.33 1nku h VAL 66 N 0.29 0.93 -0.29 1.56 2.07 -1.99 -0.73 116.25 118.09 1nku h VAL 66 Ca 0.02 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1nku h VAL 66 Cb 0.93 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1nku h VAL 66 CO 0.08 0.10 0.04 0.11 0.02 0.00 0.00 177.57 177.92 1nku h LYS 67 N 0.55 0.43 -0.84 1.57 1.57 -1.73 -2.21 116.57 115.91 1nku h LYS 67 Ca 0.27 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1nku h LYS 67 Cb 0.20 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1nku h LYS 67 CO -0.19 0.42 0.53 0.28 -0.57 0.00 0.00 179.45 179.92 1nku h VAL 68 N 0.42 1.07 0.00 0.50 2.07 -1.09 3.20 116.25 122.43 1nku h VAL 68 Ca 0.10 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1nku h VAL 68 Cb 0.21 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1nku h VAL 68 CO 0.00 0.18 -0.36 0.00 0.02 0.00 0.00 177.57 177.41 1nku h ALA 69 N 1.38 1.09 -0.23 1.67 0.00 -1.20 -2.97 119.26 119.00 1nku h ALA 69 Ca 0.36 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 69 Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1nku h ALA 69 CO -0.15 0.45 -0.08 0.00 0.00 0.00 0.00 179.25 179.48 1nku n ALA 70 N -2.33 3.47 -1.70 0.00 0.00 0.48 -4.62 120.51 115.81 1nku n ALA 70 Ca -0.01 -2.79 -0.35 0.00 0.00 0.00 0.00 53.44 50.29 1nku n ALA 70 Cb 0.47 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -3.05 3.18 0.37 0.00 -1.94 1.04 -4.93 119.30 113.97 1nku s MET 71 Ca 0.41 1.58 0.07 0.00 -1.71 0.00 0.00 55.69 56.03 1nku s MET 71 Cb 0.36 -1.98 -0.00 0.00 2.01 0.00 0.00 34.83 35.21 1nku s MET 71 CO 0.03 -0.98 0.52 -1.14 -0.01 0.00 0.00 175.02 173.44 1nku s GLN 72 N -3.49 3.00 0.33 2.03 0.74 -1.26 -4.99 119.66 116.02 1nku s GLN 72 Ca 0.72 -1.07 0.03 0.00 0.05 0.00 0.00 55.36 55.08 1nku s GLN 72 Cb -0.24 -2.78 0.56 0.00 1.10 0.00 0.00 33.01 31.65 1nku s GLN 72 CO 0.31 -0.08 1.89 0.93 -0.55 0.00 0.00 175.29 177.79 1nku h GLU 73 N 0.77 0.66 -1.01 1.67 5.08 -2.01 -2.08 114.58 117.66 1nku h GLU 73 Ca -0.44 -0.12 0.13 0.00 -1.00 0.00 0.00 59.36 57.94 1nku h GLU 73 Cb 1.27 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 1nku h GLU 73 CO 0.50 0.60 0.63 1.49 -1.00 0.00 0.00 179.01 181.23 1nku h GLU 74 N 0.64 0.93 -0.75 2.33 4.81 -2.01 0.21 114.58 120.74 1nku h GLU 74 Ca 0.15 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1nku h GLU 74 Cb 0.24 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1nku h GLU 74 CO -0.00 0.61 0.47 -0.44 -0.73 0.00 0.00 179.01 178.92 1nku h ASP 75 N 0.96 0.88 -0.49 1.04 3.32 -1.76 -2.40 116.42 117.96 1nku h ASP 75 Ca 0.51 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.55 1nku h ASP 75 Cb 0.57 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1nku h ASP 75 CO -0.29 0.66 0.29 0.58 -1.72 0.00 0.00 179.24 178.76 1nku h VAL 76 N 1.02 1.04 -0.63 -1.35 2.07 -0.57 -1.53 116.25 116.31 1nku h VAL 76 Ca 0.27 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1nku h VAL 76 Cb -0.07 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1nku h VAL 76 CO -0.05 0.10 0.42 -0.33 0.02 0.00 0.00 177.57 177.73 1nku h GLU 77 N 0.57 0.82 -0.45 1.57 3.07 -1.21 0.24 114.58 119.19 1nku h GLU 77 Ca 0.20 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1nku h GLU 77 Cb 0.03 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 1nku h GLU 77 CO -0.10 0.54 0.26 -0.09 -1.40 0.00 0.00 179.01 178.22 1nku h ARG 78 N 0.84 0.62 -0.00 2.33 2.43 -1.07 -2.49 114.38 117.03 1nku h ARG 78 Ca 0.23 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 1nku h ARG 78 Cb -0.08 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1nku h ARG 78 CO -0.05 0.47 -0.70 -0.07 -1.51 0.00 0.00 179.97 178.11 1nku h LEU 79 N 0.59 0.02 -1.13 3.80 3.38 -0.83 -2.53 115.31 118.60 1nku h LEU 79 Ca 0.16 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1nku h LEU 79 Cb 0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1nku h LEU 79 CO -0.03 0.71 0.60 0.58 0.09 0.00 0.00 178.44 180.40 1nku h VAL 80 N 0.01 0.88 0.00 1.22 2.07 -0.10 -2.93 116.25 117.41 1nku h VAL 80 Ca -0.01 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1nku h VAL 80 Cb 1.24 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1nku h VAL 80 CO 0.09 0.16 -0.58 1.56 0.02 0.00 0.00 177.57 178.82 1nku h GLN 81 N 0.86 0.00 -5.98 1.57 4.20 -1.47 -3.47 115.11 110.82 1nku h GLN 81 Ca 0.47 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.57 1nku h GLN 81 Cb 0.58 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 1nku h GLN 81 CO -0.24 0.85 -0.36 0.34 -0.67 0.00 0.00 178.83 178.76 1nku s ASP 82 N -6.41 6.50 0.00 1.46 2.15 -0.96 -4.77 116.67 114.64 1nku s ASP 82 Ca -0.22 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.34 1nku s ASP 82 Cb 0.01 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1nku s ASP 82 CO 0.56 0.20 0.00 0.00 -0.17 0.00 0.00 175.17 175.76 1nku n ALA 83 N 0.84 -1.76 0.48 3.66 0.00 -1.26 -4.31 120.51 118.16 1nku n ALA 83 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1nku n ALA 83 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.19 2.47 1.81 0.00 0.00 -1.26 -4.60 105.19 103.42 1nku n GLY 84 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1nku n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nku n ILE 85 N 0.36 0.24 -0.76 -0.61 -5.35 -1.26 -4.50 119.36 107.48 1nku n ILE 85 Ca 0.09 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1nku n ILE 85 Cb 0.66 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 1nku n ILE 85 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1nku n ILE 86 N 1.80 0.00 -3.47 7.28 5.41 -1.26 -4.92 119.36 124.20 1nku n ILE 86 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 1nku n ILE 86 Cb 0.06 -0.76 -0.08 0.00 -0.71 0.00 0.00 39.64 38.15 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 -1.53 4.18 0.49 0.38 0.52 -1.26 -4.99 118.95 116.73 1nku s ARG 87 Ca 0.00 0.10 0.07 0.00 -0.52 0.00 0.00 55.73 55.38 1nku s ARG 87 Cb 0.00 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.98 1nku s ARG 87 CO 0.00 0.04 0.47 -1.58 0.02 0.00 0.00 175.30 174.26 1nku s HIS 88 N 1.07 2.12 0.33 -0.53 2.46 -1.26 -4.75 115.29 114.72 1nku s HIS 88 Ca 0.17 -0.65 0.11 0.00 0.47 0.00 0.00 55.06 55.16 1nku s HIS 88 Cb -0.14 -2.11 0.97 0.00 -0.13 0.00 0.00 32.58 31.18 1nku s HIS 88 CO 0.06 -0.44 1.68 0.07 -2.47 0.00 0.00 174.74 173.64 1nku h ARG 89 N 0.76 0.36 -0.05 2.88 0.11 -1.94 0.49 114.38 117.00 1nku h ARG 89 Ca -0.38 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.65 1nku h ARG 89 Cb 1.28 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1nku h ARG 89 CO 0.54 0.24 -0.11 0.78 0.10 0.00 0.00 179.97 181.52 1nku h GLY 90 N 0.37 0.17 1.02 0.08 0.00 -2.00 -2.55 103.07 100.17 1nku h GLY 90 Ca 0.68 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 1nku h GLY 90 CO -0.58 0.19 0.23 0.50 0.00 0.00 0.00 176.54 176.88 1nku h LYS 91 N -0.37 0.99 -0.93 4.80 1.57 -1.42 -2.29 116.57 118.93 1nku h LYS 91 Ca -0.00 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1nku h LYS 91 Cb 0.71 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1nku h LYS 91 CO 0.02 0.86 0.61 0.82 -0.57 0.00 0.00 179.45 181.19 1nku h ILE 92 N 0.93 1.18 -0.72 1.86 2.04 -0.15 -0.59 117.51 122.05 1nku h ILE 92 Ca 0.21 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1nku h ILE 92 Cb 0.26 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 1nku h ILE 92 CO -0.01 0.22 0.48 -0.61 0.00 0.00 0.00 178.15 178.22 1nku h GLN 93 N 1.19 0.90 -0.61 2.37 4.15 -0.97 -1.12 115.11 121.01 1nku h GLN 93 Ca 0.36 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.69 1nku h GLN 93 Cb -0.03 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 1nku h GLN 93 CO -0.10 0.59 0.24 0.00 -1.93 0.00 0.00 178.83 177.63 1nku h ALA 94 N 1.57 1.28 -0.17 3.38 0.00 -0.81 -1.88 119.26 122.63 1nku h ALA 94 Ca 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nku h ALA 94 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1nku h ALA 94 CO -0.07 0.53 0.10 0.82 0.00 0.00 0.00 179.25 180.64 1nku h ILE 95 N 0.88 1.06 -0.28 0.00 1.08 -0.92 0.40 117.51 119.72 1nku h ILE 95 Ca 0.21 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1nku h ILE 95 Cb 0.17 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 1nku h ILE 95 CO -0.02 0.06 0.18 0.40 -0.69 0.00 0.00 178.15 178.07 1nku h ILE 96 N 0.21 1.09 -0.48 -0.67 2.04 -1.24 -2.04 117.51 116.42 1nku h ILE 96 Ca 0.06 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1nku h ILE 96 Cb 0.00 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1nku h ILE 96 CO -0.01 0.09 -0.05 1.23 0.00 0.00 0.00 178.15 179.40 1nku h GLY 97 N 0.37 0.90 1.00 5.37 0.00 -1.08 -2.62 103.07 107.01 1nku h GLY 97 Ca 0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1nku h GLY 97 CO -0.02 0.60 0.38 -0.57 0.00 0.00 0.00 176.54 176.93 1nku h ASN 98 N 0.77 0.86 -0.61 0.19 -0.73 0.18 -1.92 115.58 114.32 1nku h ASN 98 Ca 0.14 -0.09 -0.08 0.00 1.87 0.00 0.00 56.30 58.13 1nku h ASN 98 Cb 0.54 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 1nku h ASN 98 CO 0.03 0.70 0.06 0.00 -0.37 0.00 0.00 177.43 177.86 1nku h ALA 99 N 1.19 0.93 -0.57 1.57 0.00 -1.21 -2.20 119.26 118.96 1nku h ALA 99 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 99 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1nku h ALA 99 CO -0.04 0.65 0.32 -0.09 0.00 0.00 0.00 179.25 180.09 1nku h ARG 100 N 0.97 0.80 -0.35 0.00 2.43 -1.07 0.24 114.38 117.41 1nku h ARG 100 Ca 0.19 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1nku h ARG 100 Cb 0.48 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1nku h ARG 100 CO 0.02 0.61 -0.00 0.00 -1.51 0.00 0.00 179.97 179.09 1nku h ALA 101 N 1.14 0.47 -0.42 2.80 0.00 -1.18 -2.62 119.26 119.45 1nku h ALA 101 Ca 0.20 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nku h ALA 101 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nku h ALA 101 CO -0.03 0.23 0.07 -0.92 0.00 0.00 0.00 179.25 178.60 1nku h TYR 102 N 0.42 0.73 -0.71 0.00 3.20 -1.20 -2.73 116.97 116.69 1nku h TYR 102 Ca 0.10 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1nku h TYR 102 Cb 0.46 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1nku h TYR 102 CO 0.04 0.71 0.39 1.25 -1.64 0.00 0.00 178.16 178.91 1nku h LEU 103 N 0.54 0.88 -0.96 2.82 5.85 -0.91 -2.49 115.31 121.04 1nku h LEU 103 Ca 0.13 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1nku h LEU 103 Cb 0.37 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1nku h LEU 103 CO 0.01 0.72 0.14 1.56 -0.34 0.00 0.00 178.44 180.52 1nku h GLN 104 N 0.97 0.90 -0.71 1.25 4.20 -1.39 -2.40 115.11 117.92 1nku h GLN 104 Ca 0.25 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1nku h GLN 104 Cb 0.03 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1nku h GLN 104 CO -0.04 0.81 0.37 1.98 -0.67 0.00 0.00 178.83 181.27 1nku h MET 105 N 0.86 1.00 -0.00 1.46 4.05 -1.14 -1.54 114.93 119.62 1nku h MET 105 Ca 0.19 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.42 1nku h MET 105 Cb 0.32 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1nku h MET 105 CO -0.00 0.76 -0.28 1.49 0.23 0.00 0.00 176.91 179.11 1nku h GLU 106 N 1.00 0.01 -0.70 0.39 4.81 -1.10 -2.39 114.58 116.60 1nku h GLU 106 Ca 0.25 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.67 1nku h GLU 106 Cb 0.07 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1nku h GLU 106 CO -0.04 0.28 0.49 1.96 -0.73 0.00 0.00 179.01 180.98 1nku h GLN 107 N 0.01 0.08 0.00 1.92 1.08 -1.01 0.97 115.11 118.16 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1nku h GLN 107 Cb 0.49 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1nku h GLN 107 CO 0.04 0.06 0.00 0.09 -0.95 0.00 0.00 178.83 178.06 1nku n ASN 108 N -4.37 0.05 -0.18 1.46 3.02 -0.90 -4.87 115.26 109.47 1nku n ASN 108 Ca 0.14 0.51 -0.02 0.00 -0.03 0.00 0.00 54.58 55.17 1nku n ASN 108 Cb 0.71 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.05 0.53 3.33 7.41 0.00 0.34 -5.00 105.19 112.84 1nku n GLY 109 Ca 0.06 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1nku n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nku s GLU 110 N -2.39 2.76 0.11 1.61 2.56 -1.26 -5.05 118.70 117.04 1nku s GLU 110 Ca 0.00 -1.31 -0.36 0.00 0.00 0.00 0.00 54.97 53.31 1nku s GLU 110 Cb 0.00 -3.84 -0.16 0.00 2.00 0.00 0.00 34.13 32.13 1nku s GLU 110 CO 0.00 -0.88 1.42 -2.30 -0.56 0.00 0.00 175.26 172.93 1nku n PRO 111 N 5.01 1.48 -0.22 4.30 -0.02 -1.26 -4.64 135.00 139.64 1nku n PRO 111 Ca -0.11 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1nku n PRO 111 Cb 0.44 -2.22 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1nku n PRO 111 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1nku h PHE 112 N 4.99 0.95 -0.96 6.00 3.04 -1.94 -2.58 116.94 126.44 1nku h PHE 112 Ca -0.47 -0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.42 1nku h PHE 112 Cb 1.31 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 39.49 1nku h PHE 112 CO 0.61 0.74 0.62 0.00 -2.02 0.00 0.00 178.31 178.26 1nku h ALA 113 N 1.10 1.29 -0.49 2.41 0.00 -1.89 -1.70 119.26 119.99 1nku h ALA 113 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nku h ALA 113 Cb 0.19 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1nku h ALA 113 CO -0.02 0.65 0.20 0.22 0.00 0.00 0.00 179.25 180.29 1nku h ASP 114 N 1.30 0.63 0.25 0.00 3.58 -1.83 -2.11 116.42 118.24 1nku h ASP 114 Ca 0.35 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 1nku h ASP 114 Cb -0.12 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1nku h ASP 114 CO -0.07 0.57 -0.12 0.15 -2.88 0.00 0.00 179.24 176.89 1nku h PHE 115 N 0.69 -0.31 -0.92 0.28 3.57 -1.05 -1.98 116.94 117.22 1nku h PHE 115 Ca 0.17 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1nku h PHE 115 Cb 0.14 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1nku h PHE 115 CO 0.01 -0.15 0.53 -0.24 -2.23 0.00 0.00 178.31 176.22 1nku h VAL 116 N -0.38 1.26 -0.76 1.41 3.04 -1.35 -1.57 116.25 117.90 1nku h VAL 116 Ca -0.03 -0.62 0.08 0.00 -1.01 0.00 0.00 66.70 65.12 1nku h VAL 116 Cb 0.29 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 29.51 1nku h VAL 116 CO 0.06 0.29 0.50 -0.50 -1.01 0.00 0.00 177.57 176.90 1nku h TRP 117 N 1.29 0.76 -0.19 3.17 4.06 -1.10 -0.13 115.95 123.81 1nku h TRP 117 Ca 0.33 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 61.22 1nku h TRP 117 Cb -0.01 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 1nku h TRP 117 CO 0.01 0.37 -0.22 0.66 -3.56 0.00 0.00 178.44 175.71 1nku h SER 118 N 0.73 0.32 0.30 -3.49 4.64 -0.52 0.85 113.55 116.39 1nku h SER 118 Ca 0.34 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.53 1nku h SER 118 Cb 0.37 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1nku h SER 118 CO -0.12 0.56 -0.18 -0.26 -0.87 0.00 0.00 176.83 175.95 1nku h PHE 119 N 0.30 0.00 -0.71 4.77 -1.00 -0.82 -1.71 116.94 117.77 1nku h PHE 119 Ca 0.05 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.64 1nku h PHE 119 Cb 0.56 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.00 1nku h PHE 119 CO 0.01 0.18 0.24 1.33 -1.61 0.00 0.00 178.31 178.46 1nku n VAL 120 N -3.97 2.92 -2.68 -0.55 0.24 -0.94 -4.88 118.33 108.47 1nku n VAL 120 Ca -0.02 -1.65 -0.18 0.00 -2.04 0.00 0.00 64.34 60.45 1nku n VAL 120 Cb 0.27 -0.35 0.02 0.00 -1.47 0.00 0.00 33.84 32.31 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nku n ASN 121 N -0.11 -5.20 -0.19 -1.34 3.02 -0.64 -2.31 115.26 108.49 1nku n ASN 121 Ca 0.39 -0.16 -0.01 0.00 -0.03 0.00 0.00 54.58 54.78 1nku n ASN 121 Cb 1.36 -4.13 -0.00 0.00 -0.61 0.00 0.00 39.78 36.40 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1nku n HIS 122 N -4.19 -0.12 -4.20 3.10 -0.00 0.29 -4.84 115.22 105.26 1nku n HIS 122 Ca -0.13 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.70 1nku n HIS 122 Cb 0.62 -1.03 -0.12 0.00 -0.12 0.00 0.00 29.99 29.33 1nku n HIS 122 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1nku s GLN 123 N -0.86 3.66 0.48 1.57 -0.21 -0.98 -5.02 119.66 118.30 1nku s GLN 123 Ca 0.00 -0.51 -0.22 0.00 0.02 0.00 0.00 55.36 54.65 1nku s GLN 123 Cb 0.00 -3.02 -0.07 0.00 1.00 0.00 0.00 33.01 30.92 1nku s GLN 123 CO 0.00 0.12 1.12 -1.25 -2.12 0.00 0.00 175.29 173.16 1nku s PRO 124 N 0.70 3.72 0.03 2.91 0.04 -1.26 -4.92 135.00 136.23 1nku s PRO 124 Ca -0.01 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1nku s PRO 124 Cb -0.14 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1nku s PRO 124 CO 0.02 -0.55 -0.13 -0.65 0.04 0.00 0.00 177.00 175.74 1nku s GLN 125 N -2.89 2.28 -0.03 4.56 -0.21 -0.46 -5.05 119.66 117.86 1nku s GLN 125 Ca 0.66 -0.88 0.05 0.00 0.02 0.00 0.00 55.36 55.21 1nku s GLN 125 Cb -0.25 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.43 1nku s GLN 125 CO 0.30 0.56 -0.18 1.41 -2.12 0.00 0.00 175.29 175.26 1nku s MET 126 N -1.50 1.71 0.15 2.91 1.75 -1.26 -2.57 119.30 120.49 1nku s MET 126 Ca 0.16 -0.64 -0.18 0.00 -1.25 0.00 0.00 55.69 53.78 1nku s MET 126 Cb -0.11 -1.54 -0.07 0.00 2.84 0.00 0.00 34.83 35.95 1nku s MET 126 CO 0.07 0.31 0.62 -0.08 -0.65 0.00 0.00 175.02 175.29 1nku s THR 127 N -0.16 4.71 -0.33 10.11 -1.32 -1.07 -4.90 115.64 122.69 1nku s THR 127 Ca 0.01 1.12 0.09 0.00 -1.21 0.00 0.00 61.69 61.69 1nku s THR 127 Cb -0.10 -3.84 0.45 0.00 -1.51 0.00 0.00 72.50 67.50 1nku s THR 127 CO 0.01 0.35 1.15 0.00 -2.21 0.00 0.00 174.62 173.92 1nku n GLN 128 N 1.11 3.26 -3.98 7.08 6.02 -1.26 -4.84 117.38 124.77 1nku n GLN 128 Ca -0.06 -4.15 -0.24 0.00 -0.01 0.00 0.00 57.00 52.54 1nku n GLN 128 Cb 0.51 -2.16 -0.03 0.00 1.02 0.00 0.00 30.24 29.58 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 -3.58 3.88 -0.11 -1.58 0.00 -1.26 -5.01 121.76 114.10 1nku s ALA 129 Ca 0.47 -1.16 0.15 0.00 0.00 0.00 0.00 51.96 51.42 1nku s ALA 129 Cb 0.40 -1.68 -0.22 0.00 0.00 0.00 0.00 23.12 21.62 1nku s ALA 129 CO -0.03 0.40 0.16 2.41 0.00 0.00 0.00 175.76 178.70 1nku n THR 130 N -0.90 0.72 -4.40 0.00 -1.04 -1.26 -3.52 114.28 103.88 1nku n THR 130 Ca -0.08 -0.58 -0.28 0.00 -2.04 0.00 0.00 64.05 61.08 1nku n THR 130 Cb 0.55 -0.34 -0.12 0.00 -1.82 0.00 0.00 70.33 68.60 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 -2.66 2.26 0.43 12.58 2.01 -1.26 -4.67 115.64 124.32 1nku s THR 131 Ca -0.07 -1.87 0.09 0.00 0.31 0.00 0.00 61.69 60.15 1nku s THR 131 Cb 0.07 -2.03 0.25 0.00 0.01 0.00 0.00 72.50 70.80 1nku s THR 131 CO 0.67 -0.02 2.05 -0.07 -0.69 0.00 0.00 174.62 176.57 1nku h LEU 132 N 3.59 0.35 -1.24 4.42 3.38 -1.94 -2.01 115.31 121.85 1nku h LEU 132 Ca -0.49 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1nku h LEU 132 Cb 1.19 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1nku h LEU 132 CO 0.43 0.29 0.53 -1.28 0.09 0.00 0.00 178.44 178.50 1nku h SER 133 N 0.41 0.85 0.00 -0.43 0.87 -2.02 -1.48 113.55 111.75 1nku h SER 133 Ca 0.11 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1nku h SER 133 Cb 0.01 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1nku h SER 133 CO -0.02 0.58 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.43 1nku h GLU 134 N 0.98 0.23 -6.21 2.24 5.08 -1.78 -3.41 114.58 111.72 1nku h GLU 134 Ca 0.32 -0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 58.07 1nku h GLU 134 Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1nku h GLU 134 CO -0.10 0.35 0.99 0.42 -1.00 0.00 0.00 179.01 179.67 1nku s ILE 135 N -4.78 3.99 0.17 3.13 1.01 -0.56 -4.98 121.20 119.18 1nku s ILE 135 Ca -0.05 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 1nku s ILE 135 Cb 0.16 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.74 1nku s ILE 135 CO 0.73 -0.16 1.07 -2.16 0.00 0.00 0.00 174.94 174.42 1nku s PRO 136 N 3.85 4.62 0.06 2.79 0.04 -1.26 -4.93 135.00 140.16 1nku s PRO 136 Ca 0.62 1.66 0.24 0.00 0.04 0.00 0.00 61.00 63.57 1nku s PRO 136 Cb -0.25 -3.30 0.38 0.00 0.04 0.00 0.00 34.50 31.37 1nku s PRO 136 CO 0.21 0.12 1.33 0.25 0.04 0.00 0.00 177.00 178.95 1nku n THR 137 N 2.41 0.18 -3.73 1.26 -2.24 -1.26 -4.63 114.28 106.27 1nku n THR 137 Ca 0.02 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.28 1nku n THR 137 Cb 0.47 0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1nku n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1nku s SER 138 N -3.69 5.33 0.18 3.42 0.01 -1.26 -4.89 113.70 112.81 1nku s SER 138 Ca 0.08 -2.18 0.07 0.00 1.31 0.00 0.00 55.95 55.23 1nku s SER 138 Cb 0.15 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 1nku s SER 138 CO 0.72 -0.53 0.04 0.42 0.41 0.00 0.00 173.24 174.30 1nku s THR 139 N 0.94 3.92 0.45 1.44 -4.23 -1.26 -5.02 115.64 111.88 1nku s THR 139 Ca 0.10 -1.38 0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1nku s THR 139 Cb -0.23 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.89 1nku s THR 139 CO -0.04 -0.15 2.08 1.55 -0.54 0.00 0.00 174.62 177.53 1nku h PRO 140 N 2.48 0.34 -0.17 3.99 0.13 -2.00 -2.30 132.00 134.46 1nku h PRO 140 Ca -0.47 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 1nku h PRO 140 Cb 1.21 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1nku h PRO 140 CO 0.60 0.22 -0.64 0.00 -0.23 0.00 0.00 178.00 177.95 1nku h ALA 141 N 1.83 0.55 -0.09 -0.56 0.00 -1.95 -2.58 119.26 116.46 1nku h ALA 141 Ca 0.11 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nku h ALA 141 Cb 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nku h ALA 141 CO -0.02 0.70 0.04 0.66 0.00 0.00 0.00 179.25 180.63 1nku h SER 142 N 0.46 0.12 -0.71 0.00 4.64 -1.81 0.46 113.55 116.71 1nku h SER 142 Ca -0.01 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1nku h SER 142 Cb 1.22 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1nku h SER 142 CO 0.12 0.21 0.39 0.44 -0.87 0.00 0.00 176.83 177.12 1nku h ASP 143 N 0.02 0.89 -0.28 4.97 3.32 -1.54 -1.30 116.42 122.51 1nku h ASP 143 Ca 0.03 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 1nku h ASP 143 Cb 0.12 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1nku h ASP 143 CO -0.00 0.73 -0.53 0.00 -1.72 0.00 0.00 179.24 177.72 1nku h ALA 144 N 1.19 0.49 -0.49 3.45 0.00 -1.24 -2.86 119.26 119.81 1nku h ALA 144 Ca 0.25 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1nku h ALA 144 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nku h ALA 144 CO -0.04 0.68 0.21 1.25 0.00 0.00 0.00 179.25 181.36 1nku h LEU 145 N 0.67 0.66 -0.66 0.00 6.46 0.21 -0.91 115.31 121.75 1nku h LEU 145 Ca 0.02 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1nku h LEU 145 Cb 1.14 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 1nku h LEU 145 CO 0.12 0.63 0.37 0.28 -0.62 0.00 0.00 178.44 179.21 1nku h SER 146 N 0.65 0.82 -0.54 1.25 0.02 -1.24 -1.47 113.55 113.03 1nku h SER 146 Ca 0.17 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1nku h SER 146 Cb 0.16 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1nku h SER 146 CO -0.02 0.67 0.18 0.50 -1.14 0.00 0.00 176.83 177.03 1nku h LYS 147 N 0.90 0.88 -0.01 3.45 3.64 -1.25 -0.94 116.57 123.24 1nku h LYS 147 Ca 0.23 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nku h LYS 147 Cb 0.03 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1nku h LYS 147 CO -0.04 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.90 1nku h ALA 148 N 1.35 0.01 -0.56 5.00 0.00 -0.41 -1.95 119.26 122.69 1nku h ALA 148 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nku h ALA 148 Cb 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1nku h ALA 148 CO -0.01 -0.39 0.21 -0.07 0.00 0.00 0.00 179.25 179.00 1nku h LEU 149 N -0.19 0.74 -1.00 0.00 3.38 -1.11 -2.08 115.31 115.05 1nku h LEU 149 Ca 0.00 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1nku h LEU 149 Cb 0.20 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1nku h LEU 149 CO -0.00 0.67 0.65 0.50 0.09 0.00 0.00 178.44 180.36 1nku h LYS 150 N 0.80 1.24 -0.86 1.13 3.64 -0.85 -1.92 116.57 119.74 1nku h LYS 150 Ca 0.19 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1nku h LYS 150 Cb 0.17 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1nku h LYS 150 CO -0.02 0.82 0.51 -0.22 -2.27 0.00 0.00 179.45 178.28 1nku h LYS 151 N 1.27 1.18 0.00 1.90 3.64 -0.63 -1.00 116.57 122.92 1nku h LYS 151 Ca 0.39 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1nku h LYS 151 Cb -0.02 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1nku h LYS 151 CO -0.12 0.83 -0.03 0.00 -2.27 0.00 0.00 179.45 177.86 1nku h ARG 152 N 1.19 0.00 0.00 1.90 3.08 -1.26 -3.45 114.38 115.84 1nku h ARG 152 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1nku h ARG 152 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1nku h ARG 152 CO -0.06 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.29 1nku n GLY 153 N -0.48 1.60 3.77 0.04 0.00 -0.38 -4.96 105.19 104.78 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 3.68 0.04 1.61 0.08 -0.88 -4.93 117.98 115.58 1nku s PHE 154 Ca 0.00 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.24 1nku s PHE 154 Cb 0.00 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1nku s PHE 154 CO 0.00 0.36 0.04 1.63 -0.10 0.00 0.00 175.22 177.15 1nku n LYS 155 N 2.70 1.17 -4.30 0.44 5.02 -1.26 -4.32 118.16 117.62 1nku n LYS 155 Ca -0.07 -0.21 -0.35 0.00 -2.02 0.00 0.00 58.31 55.66 1nku n LYS 155 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.87 -1.41 -1.22 2.13 -1.74 -1.26 -4.79 117.46 108.30 1nku n PHE 156 Ca 0.01 0.70 0.00 0.00 -0.56 0.00 0.00 57.45 57.60 1nku n PHE 156 Cb 0.04 -2.74 0.23 0.00 1.52 0.00 0.00 39.48 38.53 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 -4.36 2.48 -1.10 1.97 0.24 -1.26 -4.73 118.33 111.57 1nku n VAL 157 Ca -0.11 -2.27 -0.37 0.00 -2.04 0.00 0.00 64.34 59.55 1nku n VAL 157 Cb 0.58 -0.30 0.03 0.00 -1.47 0.00 0.00 33.84 32.68 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 -0.82 -3.95 0.31 7.63 0.00 -1.26 -4.49 105.19 102.60 1nku n GLY 158 Ca 0.30 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.59 0.63 -0.12 2.61 2.02 -1.96 -1.97 112.91 113.53 1nku h THR 159 Ca -0.43 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1nku h THR 159 Cb 1.36 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1nku h THR 159 CO 0.31 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 176.20 1nku h THR 160 N 0.00 1.26 -0.33 3.16 1.03 -1.96 -1.77 112.91 114.29 1nku h THR 160 Ca 0.05 -0.83 -0.04 0.00 -0.01 0.00 0.00 66.41 65.58 1nku h THR 160 Cb 0.24 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 68.88 1nku h THR 160 CO -0.00 0.24 0.02 0.40 -0.01 0.00 0.00 175.52 176.16 1nku h ILE 161 N -0.06 1.19 -0.34 0.00 2.04 -1.66 -1.86 117.51 116.81 1nku h ILE 161 Ca 0.03 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1nku h ILE 161 Cb 0.37 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1nku h ILE 161 CO 0.01 0.25 0.07 0.00 0.00 0.00 0.00 178.15 178.48 1nku h TYR 163 N 0.40 0.98 -1.00 0.00 3.20 -0.95 -2.24 116.97 117.36 1nku h TYR 163 Ca 0.11 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1nku h TYR 163 Cb 0.32 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1nku h TYR 163 CO 0.02 0.79 0.66 0.77 -1.64 0.00 0.00 178.16 178.76 1nku h SER 164 N 0.89 1.14 -0.61 -2.11 0.02 -1.13 -1.87 113.55 109.89 1nku h SER 164 Ca 0.21 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1nku h SER 164 Cb 0.24 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1nku h SER 164 CO -0.01 0.82 0.36 0.15 -1.14 0.00 0.00 176.83 177.01 1nku h PHE 165 N 1.34 0.81 -0.77 3.45 3.57 -0.72 -1.79 116.94 122.83 1nku h PHE 165 Ca 0.37 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 1nku h PHE 165 Cb -0.14 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.30 1nku h PHE 165 CO -0.00 0.56 0.47 0.52 -2.23 0.00 0.00 178.31 177.63 1nku h MET 166 N 0.83 1.04 -0.46 1.11 2.86 -0.80 2.09 114.93 121.59 1nku h MET 166 Ca 0.22 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1nku h MET 166 Cb -0.01 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 1nku h MET 166 CO -0.04 0.72 0.19 1.96 1.06 0.00 0.00 176.91 180.81 1nku h GLN 167 N 1.06 0.68 0.22 1.72 1.08 -0.66 -1.46 115.11 117.76 1nku h GLN 167 Ca 0.28 -0.12 -0.30 0.00 -1.45 0.00 0.00 58.65 57.06 1nku h GLN 167 Cb -0.06 -0.11 0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1nku h GLN 167 CO -0.05 0.61 -1.35 0.00 -0.95 0.00 0.00 178.83 177.09 1nku h ALA 168 N 1.04 -0.12 -0.93 3.87 0.00 -0.66 -3.03 119.26 119.43 1nku h ALA 168 Ca 0.16 -0.85 0.12 0.00 0.00 0.00 0.00 54.91 54.33 1nku h ALA 168 Cb 0.18 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1nku h ALA 168 CO -0.01 0.64 0.60 0.00 0.00 0.00 0.00 179.25 180.48 1nku n GLY 170 N -1.39 0.60 0.35 0.00 0.00 -0.56 -1.12 105.19 103.07 1nku n GLY 170 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 0.48 -8.09 0.99 3.38 -1.85 -3.34 115.31 106.88 1nku h LEU 171 Ca 0.00 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.56 1nku h LEU 171 Cb 0.00 -0.09 -0.28 0.00 0.09 0.00 0.00 40.66 40.37 1nku h LEU 171 CO 0.00 0.30 -0.79 0.54 0.09 0.00 0.00 178.44 178.58 1nku s VAL 172 N -5.50 0.83 -0.33 1.22 0.11 -1.25 -1.35 120.40 114.12 1nku s VAL 172 Ca -0.08 -0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 58.35 1nku s VAL 172 Cb 0.19 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1nku s VAL 172 CO 0.76 0.21 0.29 0.20 -3.33 0.00 0.00 175.10 173.23 1nku s ASN 173 N -0.31 6.11 -0.73 3.54 0.01 -1.06 -4.66 114.94 117.85 1nku s ASN 173 Ca 0.04 -0.29 -0.10 0.00 -0.71 0.00 0.00 52.86 51.79 1nku s ASN 173 Cb -0.04 -2.16 0.19 0.00 0.41 0.00 0.00 41.25 39.65 1nku s ASN 173 CO -0.00 -0.26 0.63 -1.81 -1.51 0.00 0.00 177.10 174.14 1nku s ASP 174 N 1.73 6.20 0.23 -1.22 1.01 -1.26 -2.59 116.67 120.77 1nku s ASP 174 Ca 0.09 -2.64 0.05 0.00 0.71 0.00 0.00 52.55 50.75 1nku s ASP 174 Cb -0.17 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 1nku s ASP 174 CO 0.11 -0.54 0.21 1.41 0.21 0.00 0.00 175.17 176.58 1nku n HIS 175 N 3.96 -0.62 -4.37 4.23 8.25 -1.26 -4.96 115.22 120.45 1nku n HIS 175 Ca 0.09 -1.90 -0.21 0.00 -0.26 0.00 0.00 57.72 55.44 1nku n HIS 175 Cb 0.43 0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.66 1nku n HIS 175 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1nku s VAL 176 N -2.91 1.95 0.36 1.59 -7.23 -1.26 -4.55 120.40 108.35 1nku s VAL 176 Ca 0.27 -2.17 0.08 0.00 -1.81 0.00 0.00 61.98 58.35 1nku s VAL 176 Cb 0.01 -2.05 0.32 0.00 0.56 0.00 0.00 36.38 35.22 1nku s VAL 176 CO 0.19 -0.45 1.88 0.58 -0.31 0.00 0.00 175.10 176.99 1nku h VAL 177 N 2.72 0.87 -0.47 1.32 2.07 -1.83 0.30 116.25 121.23 1nku h VAL 177 Ca -0.40 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1nku h VAL 177 Cb 1.22 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1nku h VAL 177 CO 0.58 0.13 0.31 1.23 0.02 0.00 0.00 177.57 179.84 1nku h GLY 178 N 0.71 0.52 -4.60 2.17 0.00 -1.89 -3.42 103.07 96.56 1nku h GLY 178 Ca 0.42 -0.17 -0.57 0.00 0.00 0.00 0.00 47.33 47.01 1nku h GLY 178 CO -0.19 0.14 0.70 0.00 0.00 0.00 0.00 176.54 177.20 1nku s TYR 182 N -5.49 3.18 -0.06 0.00 6.14 -0.50 -4.97 117.35 115.65 1nku s TYR 182 Ca -0.08 0.35 -0.02 0.00 0.64 0.00 0.00 57.07 57.96 1nku s TYR 182 Cb 0.20 -2.99 -0.01 0.00 0.42 0.00 0.00 41.96 39.58 1nku s TYR 182 CO 0.76 -0.54 0.11 -1.00 0.64 0.00 0.00 175.55 175.52 1nku h PRO 183 N 8.37 -0.07 0.00 4.97 0.13 -1.80 -3.43 132.00 140.18 1nku h PRO 183 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1nku h PRO 183 Cb 1.12 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nku h PRO 183 CO 0.79 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 1nku n GLY 184 N 1.60 0.40 3.55 1.56 0.00 -1.26 -3.60 105.19 107.43 1nku n GLY 184 Ca -0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1nku n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nku n ASN 185 N 1.96 -4.18 -4.79 1.61 5.15 -1.26 -4.99 115.26 108.77 1nku n ASN 185 Ca 0.00 -0.60 -0.29 0.00 -0.60 0.00 0.00 54.58 53.09 1nku n ASN 185 Cb 0.27 -4.97 -0.06 0.00 -0.53 0.00 0.00 39.78 34.49 1nku n ASN 185 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1nku s LYS 186 N -5.90 2.90 0.00 1.20 -2.85 -1.24 -5.34 119.74 108.51 1nku s LYS 186 Ca 0.31 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 1nku s LYS 186 Cb -0.14 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 1nku s LYS 186 CO 0.74 0.54 0.00 -2.30 0.10 0.00 0.00 175.35 174.43