#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 2.91 0.11 0.03 2.12 -1.26 -4.98 118.70 117.64 1nku s GLU 2 Ca 0.00 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 54.71 1nku s GLU 2 Cb 0.00 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1nku s GLU 2 CO 0.00 0.57 -0.12 -0.98 -0.54 0.00 0.00 175.26 174.19 1nku s ARG 3 N -2.36 0.94 0.00 4.30 1.70 -1.26 -0.32 118.95 121.94 1nku s ARG 3 Ca 0.29 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 1nku s ARG 3 Cb -0.12 -0.71 0.00 0.00 -0.57 0.00 0.00 34.95 33.55 1nku s ARG 3 CO 0.22 0.12 0.00 0.00 -1.08 0.00 0.00 175.30 174.56 1nku n GLY 5 N 4.08 0.45 2.90 0.00 0.00 -1.26 -4.38 105.19 106.98 1nku n GLY 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nku n GLY 5 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nku n TRP 6 N -1.77 0.00 -2.11 1.61 8.01 -1.26 -4.84 117.44 117.07 1nku n TRP 6 Ca 0.00 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.77 1nku n TRP 6 Cb 0.00 -1.28 -0.03 0.00 -2.01 0.00 0.00 31.31 28.00 1nku n TRP 6 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 1nku s VAL 7 N -0.61 3.25 -0.23 -0.99 -7.23 -1.26 -4.92 120.40 108.40 1nku s VAL 7 Ca 0.00 0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 60.84 1nku s VAL 7 Cb 0.00 -3.53 -0.13 0.00 0.56 0.00 0.00 36.38 33.28 1nku s VAL 7 CO 0.00 0.04 -0.15 -1.20 -0.31 0.00 0.00 175.10 173.48 1nku n SER 8 N 4.45 1.91 -3.84 4.85 7.64 -1.26 -5.05 113.62 122.33 1nku n SER 8 Ca 0.13 0.39 -0.15 0.00 1.01 0.00 0.00 58.87 60.24 1nku n SER 8 Cb 0.42 -0.87 -0.09 0.00 -1.01 0.00 0.00 64.21 62.66 1nku n SER 8 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1nku s GLN 9 N -2.48 1.45 0.00 1.43 -0.21 -1.26 -5.04 119.66 113.55 1nku s GLN 9 Ca -0.33 -1.81 0.00 0.00 0.02 0.00 0.00 55.36 53.25 1nku s GLN 9 Cb 0.10 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.38 1nku s GLN 9 CO 0.50 -0.50 0.00 -3.47 -2.12 0.00 0.00 175.29 169.70 1nku n ASP 10 N -0.84 -1.54 0.26 5.90 -0.08 -1.26 -4.78 116.55 114.21 1nku n ASP 10 Ca 0.04 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.42 1nku n ASP 10 Cb 0.64 -0.77 0.50 0.00 2.34 0.00 0.00 41.12 43.83 1nku n ASP 10 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1nku h PRO 11 N 0.00 0.00 -0.85 -0.67 0.11 -2.00 -0.56 132.00 128.04 1nku h PRO 11 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1nku h PRO 11 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1nku h PRO 11 CO 0.00 0.00 0.39 1.25 -0.21 0.00 0.00 178.00 179.43 1nku h LEU 12 N 0.00 1.12 -0.28 2.35 5.85 -1.99 0.51 115.31 122.87 1nku h LEU 12 Ca 0.00 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1nku h LEU 12 Cb 0.83 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1nku h LEU 12 CO 0.00 0.95 -0.01 0.22 -0.34 0.00 0.00 178.44 179.26 1nku h TYR 13 N 1.21 0.54 -0.54 1.25 5.03 -1.40 -2.35 116.97 120.72 1nku h TYR 13 Ca 0.29 -0.10 -0.05 0.00 2.58 0.00 0.00 58.73 61.45 1nku h TYR 13 Cb 0.14 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1nku h TYR 13 CO 0.02 0.65 0.14 0.82 -1.32 0.00 0.00 178.16 178.47 1nku h ILE 14 N 0.28 1.24 -0.85 1.81 2.04 -1.52 -1.01 117.51 119.50 1nku h ILE 14 Ca 0.08 -0.85 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1nku h ILE 14 Cb 0.44 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1nku h ILE 14 CO 0.02 0.31 0.50 0.00 0.00 0.00 0.00 178.15 178.97 1nku h ALA 15 N 1.01 1.21 -0.47 1.87 0.00 0.13 0.36 119.26 123.38 1nku h ALA 15 Ca 0.17 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1nku h ALA 15 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1nku h ALA 15 CO -0.00 0.13 -0.09 -0.92 0.00 0.00 0.00 179.25 178.37 1nku h TYR 16 N 0.83 0.99 -0.04 0.00 3.20 -0.99 0.31 116.97 121.27 1nku h TYR 16 Ca 0.41 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1nku h TYR 16 Cb 0.36 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1nku h TYR 16 CO -0.05 0.96 0.02 1.25 -1.64 0.00 0.00 178.16 178.70 1nku h HIS 17 N 0.73 0.05 -0.22 -3.82 2.76 0.26 0.91 115.15 115.82 1nku h HIS 17 Ca 0.12 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.15 1nku h HIS 17 Cb 0.63 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1nku h HIS 17 CO 0.05 0.11 -0.46 -0.44 -1.30 0.00 0.00 177.93 175.89 1nku h ASP 18 N -0.02 0.62 0.00 3.26 3.32 -0.29 -3.37 116.42 119.93 1nku h ASP 18 Ca 0.01 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1nku h ASP 18 Cb 0.08 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1nku h ASP 18 CO -0.00 0.99 0.00 0.59 -1.72 0.00 0.00 179.24 179.10 1nku n ASN 19 N -4.00 0.00 -3.77 6.45 3.02 0.11 -4.94 115.26 112.12 1nku n ASN 19 Ca -0.02 0.40 -0.15 0.00 -0.03 0.00 0.00 54.58 54.78 1nku n ASN 19 Cb 0.55 -0.31 -0.16 0.00 -0.61 0.00 0.00 39.78 39.26 1nku n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1nku s GLU 20 N -0.92 -0.01 -0.31 3.52 2.02 0.30 -5.06 118.70 118.24 1nku s GLU 20 Ca 0.00 0.20 -0.12 0.00 0.02 0.00 0.00 54.97 55.08 1nku s GLU 20 Cb 0.00 -0.22 0.19 0.00 0.10 0.00 0.00 34.13 34.20 1nku s GLU 20 CO 0.00 -0.15 1.09 -0.46 0.02 0.00 0.00 175.26 175.76 1nku s TRP 21 N 1.00 -0.25 0.00 1.61 -0.00 -1.24 -4.28 118.94 115.77 1nku s TRP 21 Ca -0.08 0.06 0.00 0.00 -0.00 0.00 0.00 56.10 56.08 1nku s TRP 21 Cb -0.12 0.05 0.00 0.00 -0.00 0.00 0.00 33.47 33.40 1nku s TRP 21 CO -0.03 -0.16 0.00 0.41 -0.00 0.00 0.00 176.95 177.16 1nku n GLY 22 N 3.95 0.35 3.69 5.86 0.00 -0.48 -4.97 105.19 113.59 1nku n GLY 22 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1nku n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nku s VAL 23 N -2.00 3.59 -0.05 1.61 -7.23 0.45 -3.47 120.40 113.29 1nku s VAL 23 Ca 0.00 1.01 -0.39 0.00 -1.81 0.00 0.00 61.98 60.80 1nku s VAL 23 Cb 0.00 -3.65 -0.17 0.00 0.56 0.00 0.00 36.38 33.12 1nku s VAL 23 CO 0.00 0.01 1.44 -2.65 -0.31 0.00 0.00 175.10 173.59 1nku n PRO 24 N 5.17 0.97 -5.07 4.82 -0.02 -1.14 -4.23 135.00 135.51 1nku n PRO 24 Ca 0.13 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 1nku n PRO 24 Cb 0.43 -1.99 -0.15 0.00 -0.02 0.00 0.00 33.50 31.78 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 1.42 2.64 0.00 -0.52 2.56 -1.26 -4.99 118.70 118.55 1nku s GLU 25 Ca 0.90 -0.81 0.11 0.00 0.00 0.00 0.00 54.97 55.17 1nku s GLU 25 Cb -1.05 -2.30 0.16 0.00 2.00 0.00 0.00 34.13 32.95 1nku s GLU 25 CO 0.55 0.44 0.99 0.25 -0.56 0.00 0.00 175.26 176.93 1nku n THR 26 N 2.81 0.34 -2.98 -1.70 -2.24 -1.26 -4.94 114.28 104.32 1nku n THR 26 Ca -0.17 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 1nku n THR 26 Cb 0.52 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -0.95 6.57 0.36 3.42 1.01 -1.26 -4.91 116.67 120.91 1nku s ASP 27 Ca 0.16 0.42 0.05 0.00 0.71 0.00 0.00 52.55 53.90 1nku s ASP 27 Cb 0.10 -2.39 0.68 0.00 1.01 0.00 0.00 42.92 42.33 1nku s ASP 27 CO 0.14 -0.67 1.93 0.28 0.21 0.00 0.00 175.17 177.06 1nku h SER 28 N 8.36 0.48 0.09 0.27 0.02 -1.98 -1.76 113.55 119.03 1nku h SER 28 Ca -0.25 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1nku h SER 28 Cb 1.10 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1nku h SER 28 CO 0.89 0.49 -0.09 0.11 -1.14 0.00 0.00 176.83 177.09 1nku h LYS 29 N 0.51 -0.19 -0.60 3.45 6.56 -1.99 0.66 116.57 124.98 1nku h LYS 29 Ca 0.12 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.67 1nku h LYS 29 Cb 0.21 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.89 1nku h LYS 29 CO -0.00 -0.12 0.18 0.87 -2.06 0.00 0.00 179.45 178.32 1nku h LYS 30 N -0.19 0.94 -0.45 3.15 1.57 -1.91 -1.70 116.57 117.99 1nku h LYS 30 Ca 0.00 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1nku h LYS 30 Cb 0.19 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1nku h LYS 30 CO -0.03 0.84 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.61 1nku h LEU 31 N 0.86 0.79 -0.28 2.94 3.38 -0.98 -1.80 115.31 120.22 1nku h LEU 31 Ca 0.19 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1nku h LEU 31 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1nku h LEU 31 CO -0.01 0.92 0.17 0.15 0.09 0.00 0.00 178.44 179.76 1nku h PHE 32 N 0.64 0.37 -0.08 1.13 3.57 0.51 -1.78 116.94 121.29 1nku h PHE 32 Ca 0.12 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1nku h PHE 32 Cb 0.52 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1nku h PHE 32 CO 0.04 0.28 -0.09 0.93 -2.23 0.00 0.00 178.31 177.23 1nku h GLU 33 N 0.35 0.13 0.31 1.11 5.08 -1.22 -2.92 114.58 117.41 1nku h GLU 33 Ca 0.10 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1nku h GLU 33 Cb 0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nku h GLU 33 CO -0.02 0.23 -0.18 1.98 -1.00 0.00 0.00 179.01 180.02 1nku h MET 34 N 0.12 -0.44 -0.21 2.33 4.05 -0.42 -1.17 114.93 119.18 1nku h MET 34 Ca 0.03 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1nku h MET 34 Cb 0.25 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1nku h MET 34 CO 0.01 -0.30 0.01 0.97 0.23 0.00 0.00 176.91 177.83 1nku h ILE 35 N -0.46 1.13 -0.06 1.77 6.09 -1.35 -0.10 117.51 124.54 1nku h ILE 35 Ca -0.04 -0.51 -0.01 0.00 -1.37 0.00 0.00 64.86 62.93 1nku h ILE 35 Cb 0.37 0.97 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 1nku h ILE 35 CO 0.05 0.17 0.01 0.00 -3.07 0.00 0.00 178.15 175.30 1nku h LEU 37 N -0.16 0.15 -1.56 0.00 4.07 -0.95 -3.07 115.31 113.79 1nku h LEU 37 Ca 0.02 -0.09 0.17 0.00 0.08 0.00 0.00 57.88 58.06 1nku h LEU 37 Cb 0.30 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.94 1nku h LEU 37 CO 0.00 0.72 0.54 -0.33 -1.08 0.00 0.00 178.44 178.30 1nku h GLU 38 N 0.10 0.40 -0.66 1.13 4.39 -0.95 0.42 114.58 119.41 1nku h GLU 38 Ca -0.01 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.83 1nku h GLU 38 Cb 1.10 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 1nku h GLU 38 CO 0.09 0.26 0.46 0.78 -1.16 0.00 0.00 179.01 179.44 1nku h GLY 39 N 0.41 0.33 1.06 -3.84 0.00 -1.54 0.84 103.07 100.32 1nku h GLY 39 Ca 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1nku h GLY 39 CO -0.14 0.03 0.49 1.46 0.00 0.00 0.00 176.54 178.38 1nku h GLN 40 N 0.20 1.23 -1.03 4.80 4.20 -0.33 -2.35 115.11 121.84 1nku h GLN 40 Ca 0.32 -0.14 0.25 0.00 0.06 0.00 0.00 58.65 59.14 1nku h GLN 40 Cb 0.98 -0.24 -0.10 0.00 0.30 0.00 0.00 27.48 28.41 1nku h GLN 40 CO -0.06 0.90 0.64 0.37 -0.67 0.00 0.00 178.83 180.01 1nku h GLN 41 N 1.24 0.47 -5.85 1.46 4.15 -0.89 -3.27 115.11 112.42 1nku h GLN 41 Ca 0.31 -0.03 -0.69 0.00 0.77 0.00 0.00 58.65 59.01 1nku h GLN 41 Cb 0.02 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 1nku h GLN 41 CO -0.05 0.31 1.42 0.00 -1.93 0.00 0.00 178.83 178.58 1nku n ALA 42 N -2.41 0.50 0.00 3.38 0.00 -0.89 0.20 120.51 121.29 1nku n ALA 42 Ca 0.26 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1nku n ALA 42 Cb 0.81 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 7.04 2.53 0.00 0.00 0.00 -1.26 -4.97 105.19 108.53 1nku n GLY 43 Ca 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.14 0.99 7.99 0.53 -5.12 117.00 117.25 1nku n LEU 44 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.85 1nku n LEU 44 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 1nku n LEU 44 CO 0.00 -0.31 -0.42 -0.55 -1.51 0.00 0.00 177.39 174.59 1nku s SER 45 N -1.00 1.31 0.27 -1.43 0.15 -1.26 -4.83 113.70 106.91 1nku s SER 45 Ca 0.00 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 1nku s SER 45 Cb 0.00 0.01 0.58 0.00 -1.71 0.00 0.00 66.02 64.90 1nku s SER 45 CO 0.00 -0.20 1.68 -0.25 1.20 0.00 0.00 173.24 175.67 1nku h TRP 46 N 4.02 0.39 -0.88 3.44 2.91 -1.98 0.13 115.95 123.98 1nku h TRP 46 Ca -0.38 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.68 1nku h TRP 46 Cb 1.19 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.75 1nku h TRP 46 CO 0.64 -0.10 0.50 0.97 -1.03 0.00 0.00 178.44 179.42 1nku h ILE 47 N 0.30 1.25 -0.49 2.65 6.09 -2.01 -2.22 117.51 123.08 1nku h ILE 47 Ca 0.48 -0.59 -0.11 0.00 -1.37 0.00 0.00 64.86 63.27 1nku h ILE 47 Cb 0.88 0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 1nku h ILE 47 CO -0.54 0.27 -0.14 0.74 -3.07 0.00 0.00 178.15 175.41 1nku h THR 48 N 1.22 1.27 -0.54 2.19 2.02 -1.19 -3.11 112.91 114.76 1nku h THR 48 Ca 0.31 -1.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 1nku h THR 48 Cb -0.01 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1nku h THR 48 CO -0.05 0.44 0.13 0.58 0.37 0.00 0.00 175.52 176.99 1nku h VAL 49 N 0.82 1.24 -0.74 3.16 2.07 -0.74 -2.58 116.25 119.48 1nku h VAL 49 Ca 0.13 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1nku h VAL 49 Cb 0.68 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1nku h VAL 49 CO 0.05 0.32 0.48 -0.07 0.02 0.00 0.00 177.57 178.37 1nku h LEU 50 N 0.77 0.82 0.64 2.57 3.38 -1.36 1.27 115.31 123.41 1nku h LEU 50 Ca 0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1nku h LEU 50 Cb 0.34 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1nku h LEU 50 CO 0.00 0.58 -0.31 0.11 0.09 0.00 0.00 178.44 178.92 1nku h LYS 51 N 0.97 -0.83 -0.08 1.13 1.57 -1.49 -2.85 116.57 114.99 1nku h LYS 51 Ca 0.28 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 1nku h LYS 51 Cb -0.06 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1nku h LYS 51 CO -0.08 -0.51 -0.06 0.87 -0.57 0.00 0.00 179.45 179.10 1nku h LYS 52 N -1.11 0.11 -0.92 3.15 1.57 -1.37 -1.32 116.57 116.69 1nku h LYS 52 Ca -0.09 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.85 1nku h LYS 52 Cb 0.70 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.89 1nku h LYS 52 CO 0.14 0.18 0.50 -0.09 -0.57 0.00 0.00 179.45 179.62 1nku h ARG 53 N 0.11 0.64 -0.69 3.15 2.43 0.19 1.05 114.38 121.26 1nku h ARG 53 Ca 0.03 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1nku h ARG 53 Cb 0.18 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1nku h ARG 53 CO 0.01 0.42 0.18 0.93 -1.51 0.00 0.00 179.97 180.00 1nku h GLU 54 N 0.66 1.10 -0.61 0.20 4.39 -1.03 -2.23 114.58 117.06 1nku h GLU 54 Ca 0.52 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.88 1nku h GLU 54 Cb 0.80 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1nku h GLU 54 CO -0.39 0.97 0.07 -0.91 -1.16 0.00 0.00 179.01 177.59 1nku h ASN 55 N 1.04 0.98 -0.63 1.42 -0.26 0.46 -2.71 115.58 115.88 1nku h ASN 55 Ca 0.22 -0.24 0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1nku h ASN 55 Cb 0.36 -0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 37.31 1nku h ASN 55 CO 0.00 0.99 0.34 0.22 -1.06 0.00 0.00 177.43 177.92 1nku h TYR 56 N 0.95 0.62 -0.15 1.19 5.03 0.13 -0.01 116.97 124.74 1nku h TYR 56 Ca 0.19 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1nku h TYR 56 Cb 0.45 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 1nku h TYR 56 CO 0.03 0.29 -0.05 0.00 -1.32 0.00 0.00 178.16 177.11 1nku h ARG 57 N 0.63 0.21 -0.70 1.82 3.08 -1.12 0.36 114.38 118.67 1nku h ARG 57 Ca 0.28 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.31 1nku h ARG 57 Cb 0.18 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1nku h ARG 57 CO -0.18 0.29 0.46 0.00 -1.07 0.00 0.00 179.97 179.46 1nku h ALA 58 N 1.74 0.89 0.06 0.04 0.00 -0.70 0.11 119.26 121.41 1nku h ALA 58 Ca 0.05 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1nku h ALA 58 Cb 0.24 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1nku h ALA 58 CO 0.01 0.28 -2.06 0.00 0.00 0.00 0.00 179.25 177.48 1nku h PHE 60 N -0.20 0.66 -0.78 0.00 0.04 -0.34 -3.21 116.94 113.12 1nku h PHE 60 Ca -0.48 -0.48 0.11 0.00 2.80 0.00 0.00 57.97 59.92 1nku h PHE 60 Cb 1.86 -0.03 -0.08 0.00 2.20 0.00 0.00 35.95 39.90 1nku h PHE 60 CO 0.05 1.43 0.41 1.25 -0.60 0.00 0.00 178.31 180.85 1nku h HIS 61 N 0.10 0.73 -0.32 -0.55 2.76 -0.86 0.30 115.15 117.31 1nku h HIS 61 Ca -0.21 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 57.92 1nku h HIS 61 Cb 2.06 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.79 1nku h HIS 61 CO 0.09 0.25 -0.10 1.96 -1.30 0.00 0.00 177.93 178.82 1nku h GLN 62 N 0.66 0.53 -3.03 5.26 4.20 -1.68 -3.14 115.11 117.92 1nku h GLN 62 Ca 0.39 -0.15 -0.78 0.00 0.06 0.00 0.00 58.65 58.18 1nku h GLN 62 Cb 0.44 -0.06 -0.20 0.00 0.30 0.00 0.00 27.48 27.96 1nku h GLN 62 CO -0.29 0.63 1.57 1.19 -0.67 0.00 0.00 178.83 181.27 1nku n PHE 63 N -4.21 2.61 -0.77 2.96 3.01 0.10 -5.01 117.46 116.15 1nku n PHE 63 Ca 0.01 -2.69 -0.27 0.00 1.01 0.00 0.00 57.45 55.50 1nku n PHE 63 Cb 0.31 -1.62 0.03 0.00 -0.01 0.00 0.00 39.48 38.20 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nku n ASP 64 N 2.25 -4.33 -0.13 4.37 9.92 -1.17 -4.19 116.55 123.28 1nku n ASP 64 Ca 0.39 0.18 0.23 0.00 -0.53 0.00 0.00 54.79 55.07 1nku n ASP 64 Cb 0.32 -0.58 0.66 0.00 -0.64 0.00 0.00 41.12 40.88 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nku h PRO 65 N -0.66 0.10 -0.20 -0.24 0.13 -1.91 -1.57 132.00 127.65 1nku h PRO 65 Ca -0.33 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1nku h PRO 65 Cb 0.99 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1nku h PRO 65 CO 0.19 0.07 0.08 0.28 -0.23 0.00 0.00 178.00 178.39 1nku h VAL 66 N 0.10 1.16 -0.38 1.56 2.07 -1.97 -1.47 116.25 117.32 1nku h VAL 66 Ca 0.37 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1nku h VAL 66 Cb 1.33 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1nku h VAL 66 CO -0.04 0.16 -0.09 0.11 0.02 0.00 0.00 177.57 177.72 1nku h LYS 67 N 0.18 0.65 -0.64 1.57 1.57 -1.56 -2.25 116.57 116.09 1nku h LYS 67 Ca 0.07 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1nku h LYS 67 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1nku h LYS 67 CO -0.01 0.73 0.28 0.28 -0.57 0.00 0.00 179.45 180.17 1nku h VAL 68 N 0.60 1.22 0.00 0.50 2.07 -1.05 1.38 116.25 120.97 1nku h VAL 68 Ca 0.11 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1nku h VAL 68 Cb 0.52 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1nku h VAL 68 CO 0.03 0.27 -0.10 0.00 0.02 0.00 0.00 177.57 177.78 1nku h ALA 69 N 1.39 0.96 0.00 1.67 0.00 -0.88 -3.22 119.26 119.19 1nku h ALA 69 Ca 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nku h ALA 69 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nku h ALA 69 CO -0.02 0.13 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 1nku n ALA 70 N -2.14 2.78 -1.94 0.00 0.00 -0.45 -4.80 120.51 113.97 1nku n ALA 70 Ca 0.02 -2.82 -0.30 0.00 0.00 0.00 0.00 53.44 50.34 1nku n ALA 70 Cb 0.47 -0.38 0.20 0.00 0.00 0.00 0.00 19.45 19.74 1nku n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nku s MET 71 N -2.85 0.40 0.20 0.00 0.23 0.46 -4.96 119.30 112.77 1nku s MET 71 Ca 0.33 -0.54 0.09 0.00 -1.03 0.00 0.00 55.69 54.54 1nku s MET 71 Cb 0.31 -1.84 -0.04 0.00 -1.53 0.00 0.00 34.83 31.73 1nku s MET 71 CO -0.01 -2.56 -0.06 -0.65 -2.03 0.00 0.00 175.02 169.70 1nku s GLN 72 N -5.94 2.15 0.48 3.16 -0.21 -1.26 -5.00 119.66 113.04 1nku s GLN 72 Ca 0.76 -1.29 0.15 0.00 0.02 0.00 0.00 55.36 55.01 1nku s GLN 72 Cb -0.02 -2.18 1.15 0.00 1.00 0.00 0.00 33.01 32.96 1nku s GLN 72 CO 0.54 0.42 2.07 0.93 -2.12 0.00 0.00 175.29 177.12 1nku h GLU 73 N 2.65 0.20 -0.86 2.91 5.08 -2.01 0.59 114.58 123.14 1nku h GLU 73 Ca -0.46 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.02 1nku h GLU 73 Cb 1.21 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 1nku h GLU 73 CO 0.56 0.13 0.56 1.49 -1.00 0.00 0.00 179.01 180.75 1nku h GLU 74 N 0.21 0.65 -0.79 2.33 4.57 -2.01 0.20 114.58 119.74 1nku h GLU 74 Ca 0.14 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1nku h GLU 74 Cb 0.28 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1nku h GLU 74 CO -0.02 0.43 0.43 -0.44 -1.18 0.00 0.00 179.01 178.23 1nku h ASP 75 N 0.67 0.99 -0.82 1.04 3.32 -1.27 -2.15 116.42 118.20 1nku h ASP 75 Ca 0.42 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.43 1nku h ASP 75 Cb 0.67 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1nku h ASP 75 CO -0.18 0.80 0.51 0.58 -1.72 0.00 0.00 179.24 179.23 1nku h VAL 76 N 1.11 1.08 -0.81 -1.35 2.07 -0.62 0.35 116.25 118.08 1nku h VAL 76 Ca 0.28 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1nku h VAL 76 Cb 0.03 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1nku h VAL 76 CO -0.04 0.18 0.33 -0.33 0.02 0.00 0.00 177.57 177.72 1nku h GLU 77 N 0.97 1.20 -0.52 1.57 4.39 -1.19 -1.12 114.58 119.89 1nku h GLU 77 Ca 0.34 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 1nku h GLU 77 Cb 0.08 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1nku h GLU 77 CO -0.14 0.97 0.11 -0.09 -1.16 0.00 0.00 179.01 178.70 1nku h ARG 78 N 1.18 0.84 -0.17 2.33 2.43 -0.84 -2.79 114.38 117.36 1nku h ARG 78 Ca 0.27 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1nku h ARG 78 Cb 0.21 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1nku h ARG 78 CO -0.02 0.82 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.93 1nku h LEU 79 N 0.73 0.30 -1.34 3.80 3.38 -0.61 -2.63 115.31 118.95 1nku h LEU 79 Ca 0.16 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1nku h LEU 79 Cb 0.36 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1nku h LEU 79 CO 0.00 0.56 0.54 0.58 0.09 0.00 0.00 178.44 180.22 1nku h VAL 80 N 0.28 0.89 -0.44 1.22 2.07 -0.92 -0.04 116.25 119.30 1nku h VAL 80 Ca 0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1nku h VAL 80 Cb 0.60 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1nku h VAL 80 CO 0.04 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1nku n GLN 81 N -4.53 2.50 -3.33 1.57 6.02 -1.04 -4.50 117.38 114.09 1nku n GLN 81 Ca 0.15 -2.28 -0.38 0.00 -0.01 0.00 0.00 57.00 54.47 1nku n GLN 81 Cb 0.40 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.40 6.56 0.00 1.08 1.01 -0.03 -4.19 116.67 119.70 1nku s ASP 82 Ca 0.40 0.67 0.00 0.00 0.71 0.00 0.00 52.55 54.33 1nku s ASP 82 Cb 0.23 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1nku s ASP 82 CO 0.32 -0.07 0.00 0.00 0.21 0.00 0.00 175.17 175.62 1nku n ALA 83 N 4.24 0.00 -4.15 5.23 0.00 -1.26 -3.05 120.51 121.52 1nku n ALA 83 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 1nku n ALA 83 Cb 0.51 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.96 -0.44 0.00 0.00 0.00 -1.26 -4.88 105.19 97.65 1nku n GLY 84 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.08 0.00 -0.36 -0.61 -5.35 -1.17 -4.90 119.36 102.89 1nku n ILE 85 Ca 0.08 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.46 1nku n ILE 85 Cb 0.48 0.00 0.10 0.00 -1.74 0.00 0.00 39.64 38.48 1nku n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nku n ILE 86 N -1.24 0.00 -1.34 7.28 3.06 -1.26 -4.80 119.36 121.06 1nku n ILE 86 Ca 0.00 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.88 1nku n ILE 86 Cb 0.00 -0.34 0.07 0.00 0.54 0.00 0.00 39.64 39.91 1nku n ILE 86 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1nku n ARG 87 N -1.11 0.41 -1.18 9.51 1.74 -1.26 -5.00 116.66 119.77 1nku n ARG 87 Ca 0.05 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1nku n ARG 87 Cb 0.21 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1nku n ARG 87 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nku n HIS 88 N -2.24 0.00 0.00 -1.55 8.25 -1.26 -4.52 115.22 113.90 1nku n HIS 88 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1nku n HIS 88 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1nku n HIS 88 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1nku n ARG 89 N 0.00 0.00 -0.03 -0.41 0.63 -1.26 -3.25 116.66 112.34 1nku n ARG 89 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1nku n ARG 89 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1nku n ARG 89 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1nku h GLY 90 N 0.00 0.23 0.39 5.14 0.00 -1.99 0.12 103.07 106.96 1nku h GLY 90 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1nku h GLY 90 CO 0.00 0.10 -0.03 0.50 0.00 0.00 0.00 176.54 177.11 1nku h LYS 91 N 0.13 -0.09 -0.84 4.80 1.57 -1.79 -2.85 116.57 117.50 1nku h LYS 91 Ca 0.05 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1nku h LYS 91 Cb 0.09 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1nku h LYS 91 CO -0.01 0.45 0.52 0.82 -0.57 0.00 0.00 179.45 180.66 1nku h ILE 92 N -0.70 1.05 -1.00 1.86 2.04 -1.78 -0.17 117.51 118.80 1nku h ILE 92 Ca -0.01 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.62 1nku h ILE 92 Cb 0.58 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 1nku h ILE 92 CO 0.02 0.17 0.63 -0.61 0.00 0.00 0.00 178.15 178.36 1nku h GLN 93 N 0.96 1.04 -0.60 2.37 4.15 -0.79 -0.07 115.11 122.17 1nku h GLN 93 Ca 0.37 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.62 1nku h GLN 93 Cb 0.16 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1nku h GLN 93 CO -0.17 0.69 -0.02 0.00 -1.93 0.00 0.00 178.83 177.40 1nku h ALA 94 N 1.50 0.81 -0.37 3.38 0.00 -0.83 -2.84 119.26 120.90 1nku h ALA 94 Ca 0.46 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1nku h ALA 94 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1nku h ALA 94 CO -0.22 0.67 0.21 0.82 0.00 0.00 0.00 179.25 180.72 1nku h ILE 95 N 0.97 1.02 -0.65 0.00 2.04 0.23 -1.84 117.51 119.28 1nku h ILE 95 Ca 0.17 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1nku h ILE 95 Cb 0.58 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1nku h ILE 95 CO 0.03 0.08 0.37 0.40 0.00 0.00 0.00 178.15 179.04 1nku h ILE 96 N 0.42 1.00 -0.88 -0.67 2.04 -1.13 -1.47 117.51 116.82 1nku h ILE 96 Ca 0.15 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1nku h ILE 96 Cb 0.02 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1nku h ILE 96 CO -0.08 0.13 0.54 1.23 0.00 0.00 0.00 178.15 179.97 1nku h GLY 97 N 0.70 1.26 0.88 5.37 0.00 -1.20 -2.03 103.07 108.06 1nku h GLY 97 Ca 0.28 -0.51 0.05 0.00 0.00 0.00 0.00 47.33 47.15 1nku h GLY 97 CO -0.16 0.50 0.60 3.43 0.00 0.00 0.00 176.54 180.91 1nku h ASN 98 N 1.20 0.96 -0.53 0.19 2.35 -0.46 -1.19 115.58 118.11 1nku h ASN 98 Ca 0.32 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 1nku h ASN 98 Cb -0.07 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1nku h ASN 98 CO -0.06 0.63 0.05 0.00 -1.65 0.00 0.00 177.43 176.40 1nku h ALA 99 N 1.48 0.70 -0.58 -0.83 0.00 -1.05 0.20 119.26 119.19 1nku h ALA 99 Ca 0.39 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1nku h ALA 99 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nku h ALA 99 CO -0.14 0.48 0.16 0.00 0.00 0.00 0.00 179.25 179.75 1nku h ARG 100 N 0.77 0.91 -0.28 0.00 3.08 -1.09 0.67 114.38 118.45 1nku h ARG 100 Ca 0.16 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1nku h ARG 100 Cb 0.46 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1nku h ARG 100 CO 0.02 0.83 -0.36 0.00 -1.07 0.00 0.00 179.97 179.39 1nku h ALA 101 N 1.04 0.42 -0.05 0.04 0.00 -1.06 -1.09 119.26 118.56 1nku h ALA 101 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1nku h ALA 101 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nku h ALA 101 CO -0.00 0.49 -0.02 -0.92 0.00 0.00 0.00 179.25 178.80 1nku h TYR 102 N 0.47 0.11 -0.89 0.00 3.20 -0.40 -2.18 116.97 117.28 1nku h TYR 102 Ca 0.03 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1nku h TYR 102 Cb 0.94 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1nku h TYR 102 CO 0.08 0.47 0.48 1.25 -1.64 0.00 0.00 178.16 178.79 1nku h LEU 103 N -0.28 1.12 -0.84 2.82 5.85 0.32 -2.25 115.31 122.05 1nku h LEU 103 Ca 0.01 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1nku h LEU 103 Cb 0.44 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1nku h LEU 103 CO 0.01 0.90 0.39 -0.61 -0.34 0.00 0.00 178.44 178.79 1nku h GLN 104 N 1.24 1.21 -0.48 1.25 4.15 -1.15 -1.68 115.11 119.65 1nku h GLN 104 Ca 0.31 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1nku h GLN 104 Cb 0.04 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1nku h GLN 104 CO -0.05 0.94 0.22 1.98 -1.93 0.00 0.00 178.83 179.99 1nku h MET 105 N 1.19 0.70 -0.01 1.69 4.05 -0.84 -2.37 114.93 119.35 1nku h MET 105 Ca 0.29 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.53 1nku h MET 105 Cb 0.14 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1nku h MET 105 CO -0.03 0.60 -0.30 1.49 0.23 0.00 0.00 176.91 178.90 1nku h GLU 106 N 0.64 0.01 -0.73 0.39 4.81 -1.12 -2.46 114.58 116.12 1nku h GLU 106 Ca 0.17 -0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.59 1nku h GLU 106 Cb 0.14 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1nku h GLU 106 CO -0.02 0.31 0.52 0.37 -0.73 0.00 0.00 179.01 179.45 1nku h GLN 107 N 0.01 0.07 -0.01 1.92 4.15 -0.76 1.21 115.11 121.70 1nku h GLN 107 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1nku h GLN 107 Cb 0.53 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1nku h GLN 107 CO 0.04 0.05 0.00 0.09 -1.93 0.00 0.00 178.83 177.08 1nku n ASN 108 N -4.36 0.29 -0.38 -0.69 3.02 -0.93 -4.87 115.26 107.35 1nku n ASN 108 Ca 0.14 -1.15 -0.04 0.00 -0.03 0.00 0.00 54.58 53.51 1nku n ASN 108 Cb 0.75 -0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.91 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 1.01 0.38 3.20 7.41 0.00 0.41 -5.00 105.19 112.60 1nku n GLY 109 Ca 0.22 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.50 2.37 0.10 1.61 2.56 -1.24 -5.05 118.70 115.55 1nku s GLU 110 Ca 0.00 -1.70 -0.36 0.00 0.00 0.00 0.00 54.97 52.92 1nku s GLU 110 Cb 0.00 -3.78 -0.16 0.00 2.00 0.00 0.00 34.13 32.20 1nku s GLU 110 CO 0.00 -1.09 1.45 -2.30 -0.56 0.00 0.00 175.26 172.76 1nku n PRO 111 N 4.81 1.55 -0.21 4.30 -0.02 -1.26 -4.34 135.00 139.83 1nku n PRO 111 Ca -0.07 0.56 -0.08 0.00 -2.02 0.00 0.00 63.50 61.89 1nku n PRO 111 Cb 0.41 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 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 5.23 0.96 -0.58 6.00 3.04 -1.94 -2.58 116.94 127.06 1nku h PHE 112 Ca -0.47 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 61.37 1nku h PHE 112 Cb 1.30 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 39.51 1nku h PHE 112 CO 0.62 0.79 0.29 0.00 -2.02 0.00 0.00 178.31 177.99 1nku h ALA 113 N 1.06 0.75 -0.46 2.41 0.00 -1.89 -1.70 119.26 119.43 1nku h ALA 113 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nku h ALA 113 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1nku h ALA 113 CO -0.01 0.30 0.30 0.22 0.00 0.00 0.00 179.25 180.06 1nku h ASP 114 N 0.79 0.42 0.13 0.00 3.58 -1.88 -2.26 116.42 117.20 1nku h ASP 114 Ca 0.20 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1nku h ASP 114 Cb 0.10 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1nku h ASP 114 CO -0.03 0.29 -0.06 0.15 -2.88 0.00 0.00 179.24 176.71 1nku h PHE 115 N 0.49 -0.17 -0.79 0.28 3.57 -0.92 -0.97 116.94 118.43 1nku h PHE 115 Ca 0.19 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1nku h PHE 115 Cb 0.13 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1nku h PHE 115 CO -0.00 -0.04 0.45 -0.24 -2.23 0.00 0.00 178.31 176.25 1nku h VAL 116 N -0.26 1.23 -0.44 1.41 3.04 -1.22 -1.57 116.25 118.44 1nku h VAL 116 Ca -0.02 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 65.10 1nku h VAL 116 Cb 0.20 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 29.62 1nku h VAL 116 CO 0.03 0.25 0.22 -0.50 -1.01 0.00 0.00 177.57 176.57 1nku h TRP 117 N 1.10 0.59 -0.43 3.17 4.06 -1.21 -1.91 115.95 121.32 1nku h TRP 117 Ca 0.28 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.19 1nku h TRP 117 Cb 0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 1nku h TRP 117 CO -0.00 0.43 0.11 0.66 -3.56 0.00 0.00 178.44 176.08 1nku h SER 118 N 0.61 0.58 0.04 -3.49 4.64 -0.15 0.59 113.55 116.37 1nku h SER 118 Ca 0.16 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1nku h SER 118 Cb 0.05 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1nku h SER 118 CO -0.02 0.57 -0.09 -0.26 -0.87 0.00 0.00 176.83 176.16 1nku h PHE 119 N 0.62 0.15 -0.68 4.77 -1.00 -1.12 -0.74 116.94 118.94 1nku h PHE 119 Ca 0.14 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1nku h PHE 119 Cb 0.22 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1nku h PHE 119 CO 0.01 0.25 0.00 1.33 -1.61 0.00 0.00 178.31 178.29 1nku n VAL 120 N -4.35 1.65 -3.48 -0.55 0.24 -0.80 -4.92 118.33 106.12 1nku n VAL 120 Ca -0.01 -1.14 -0.22 0.00 -2.04 0.00 0.00 64.34 60.93 1nku n VAL 120 Cb 0.21 0.20 0.07 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.27 -6.10 -2.77 -1.34 2.85 -0.28 -1.85 115.26 107.03 1nku n ASN 121 Ca 0.26 -0.48 -0.09 0.00 -0.11 0.00 0.00 54.58 54.15 1nku n ASN 121 Cb 0.84 -4.74 -0.01 0.00 1.24 0.00 0.00 39.78 37.10 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1nku n HIS 122 N -4.82 -1.78 -3.87 1.20 -0.00 0.20 -4.85 115.22 101.29 1nku n HIS 122 Ca -0.00 0.11 -0.30 0.00 -0.00 0.00 0.00 57.72 57.53 1nku n HIS 122 Cb 0.56 -1.63 -0.14 0.00 -0.00 0.00 0.00 29.99 28.78 1nku n HIS 122 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1nku s GLN 123 N -5.33 1.41 0.45 1.57 0.74 -0.77 -5.09 119.66 112.64 1nku s GLN 123 Ca 0.12 -1.94 -0.22 0.00 0.05 0.00 0.00 55.36 53.37 1nku s GLN 123 Cb -0.07 -2.79 -0.11 0.00 1.10 0.00 0.00 33.01 31.14 1nku s GLN 123 CO 0.15 -1.05 0.70 -2.30 -0.55 0.00 0.00 175.29 172.24 1nku n PRO 124 N 3.90 0.80 -4.27 1.67 -0.02 -1.26 -4.96 135.00 130.86 1nku n PRO 124 Ca 0.04 0.29 -0.26 0.00 -2.02 0.00 0.00 63.50 61.55 1nku n PRO 124 Cb 0.38 -1.72 -0.09 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.84 2.18 0.08 -0.52 -0.21 0.10 -5.00 119.66 114.45 1nku s GLN 125 Ca 0.65 -1.26 0.02 0.00 0.02 0.00 0.00 55.36 54.79 1nku s GLN 125 Cb -0.56 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 1nku s GLN 125 CO 0.56 0.43 -0.08 0.00 -2.12 0.00 0.00 175.29 174.08 1nku s MET 126 N -3.02 0.72 0.14 2.91 0.23 -1.26 -0.68 119.30 118.34 1nku s MET 126 Ca 0.27 -1.08 0.06 0.00 -1.03 0.00 0.00 55.69 53.91 1nku s MET 126 Cb -0.08 -0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 32.87 1nku s MET 126 CO 0.17 0.03 -0.14 -0.08 -2.03 0.00 0.00 175.02 172.97 1nku s THR 127 N -2.52 1.40 -0.33 3.16 -1.32 -1.04 -4.86 115.64 110.14 1nku s THR 127 Ca 0.02 -1.81 0.06 0.00 -1.21 0.00 0.00 61.69 58.75 1nku s THR 127 Cb -0.02 -1.64 0.46 0.00 -1.51 0.00 0.00 72.50 69.79 1nku s THR 127 CO -0.02 -0.45 1.27 0.00 -2.21 0.00 0.00 174.62 173.21 1nku n GLN 128 N 0.36 3.52 -2.10 7.08 6.02 -1.26 -4.82 117.38 126.19 1nku n GLN 128 Ca -0.14 -4.09 -0.41 0.00 -0.01 0.00 0.00 57.00 52.34 1nku n GLN 128 Cb 0.58 -2.28 -0.02 0.00 1.02 0.00 0.00 30.24 29.53 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 -3.62 3.55 -0.14 -1.58 0.00 -1.26 -4.71 121.76 114.00 1nku s ALA 129 Ca 0.52 1.25 0.19 0.00 0.00 0.00 0.00 51.96 53.92 1nku s ALA 129 Cb 0.42 -3.51 -0.26 0.00 0.00 0.00 0.00 23.12 19.77 1nku s ALA 129 CO 0.03 -0.65 0.28 2.41 0.00 0.00 0.00 175.76 177.82 1nku n THR 130 N 1.85 1.01 -4.39 0.00 -1.04 -1.26 -0.82 114.28 109.64 1nku n THR 130 Ca 0.04 -0.75 -0.24 0.00 -2.04 0.00 0.00 64.05 61.07 1nku n THR 130 Cb 0.41 -0.39 -0.11 0.00 -1.82 0.00 0.00 70.33 68.42 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 -2.81 2.11 0.34 12.58 2.01 -1.26 -4.73 115.64 123.88 1nku s THR 131 Ca -0.09 -2.05 0.05 0.00 0.31 0.00 0.00 61.69 59.91 1nku s THR 131 Cb 0.08 -2.02 0.29 0.00 0.01 0.00 0.00 72.50 70.86 1nku s THR 131 CO 0.85 -0.27 1.93 -0.07 -0.69 0.00 0.00 174.62 176.38 1nku h LEU 132 N 3.06 0.74 -1.43 4.42 3.38 -1.92 -0.75 115.31 122.79 1nku h LEU 132 Ca -0.43 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1nku h LEU 132 Cb 1.22 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1nku h LEU 132 CO 0.52 0.47 0.36 0.28 0.09 0.00 0.00 178.44 180.15 1nku h SER 133 N 0.83 0.65 0.29 -0.43 0.02 -2.01 -1.17 113.55 111.73 1nku h SER 133 Ca 0.35 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1nku h SER 133 Cb 0.29 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1nku h SER 133 CO -0.13 0.48 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.50 1nku h GLU 134 N 0.76 0.00 -6.31 3.45 5.08 -1.54 -3.42 114.58 112.60 1nku h GLU 134 Ca 0.20 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.02 1nku h GLU 134 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nku h GLU 134 CO -0.04 0.21 1.03 0.42 -1.00 0.00 0.00 179.01 179.62 1nku s ILE 135 N -4.39 3.52 0.31 3.13 -1.09 -0.44 -4.90 121.20 117.33 1nku s ILE 135 Ca -0.03 0.74 -0.28 0.00 -2.23 0.00 0.00 60.65 58.85 1nku s ILE 135 Cb 0.15 -3.48 -0.09 0.00 -1.58 0.00 0.00 42.46 37.45 1nku s ILE 135 CO 0.67 -0.05 1.01 -2.16 -1.23 0.00 0.00 174.94 173.18 1nku s PRO 136 N 3.54 4.59 0.00 2.79 0.04 -1.26 -4.95 135.00 139.74 1nku s PRO 136 Ca 0.72 1.54 0.15 0.00 0.04 0.00 0.00 61.00 63.44 1nku s PRO 136 Cb -0.34 -2.98 0.14 0.00 0.04 0.00 0.00 34.50 31.36 1nku s PRO 136 CO 0.29 0.24 1.00 -2.37 0.04 0.00 0.00 177.00 176.20 1nku n THR 137 N 0.84 0.07 -3.37 1.26 5.66 -1.26 -4.77 114.28 112.72 1nku n THR 137 Ca 0.01 -0.54 -0.24 0.00 -3.05 0.00 0.00 64.05 60.23 1nku n THR 137 Cb 0.48 1.25 -0.09 0.00 -1.55 0.00 0.00 70.33 70.42 1nku n THR 137 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1nku s SER 138 N -1.23 1.72 0.50 1.09 1.04 -1.26 -4.70 113.70 110.85 1nku s SER 138 Ca 0.18 -2.29 -0.05 0.00 0.48 0.00 0.00 55.95 54.28 1nku s SER 138 Cb 0.13 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 1nku s SER 138 CO 0.19 -0.23 0.79 0.42 0.98 0.00 0.00 173.24 175.38 1nku s THR 139 N 0.82 4.54 0.40 2.02 -4.23 -1.26 -4.95 115.64 112.98 1nku s THR 139 Ca 0.23 0.05 0.12 0.00 -1.18 0.00 0.00 61.69 60.92 1nku s THR 139 Cb -0.11 -3.73 0.33 0.00 1.34 0.00 0.00 72.50 70.33 1nku s THR 139 CO -0.07 -0.70 1.92 1.55 -0.54 0.00 0.00 174.62 176.78 1nku h PRO 140 N 0.18 0.53 -0.34 3.99 0.13 -2.00 -0.82 132.00 133.66 1nku h PRO 140 Ca -0.47 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 1nku h PRO 140 Cb 1.22 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1nku h PRO 140 CO 0.61 0.35 -0.26 0.00 -0.23 0.00 0.00 178.00 178.47 1nku h ALA 141 N 1.63 0.90 -0.57 -0.56 0.00 -1.94 -2.55 119.26 116.18 1nku h ALA 141 Ca 0.38 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nku h ALA 141 Cb 0.70 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1nku h ALA 141 CO -0.14 0.62 0.33 0.77 0.00 0.00 0.00 179.25 180.84 1nku h SER 142 N 0.60 0.69 -0.32 0.00 0.02 -1.52 0.71 113.55 113.72 1nku h SER 142 Ca 0.08 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1nku h SER 142 Cb 0.76 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1nku h SER 142 CO 0.06 0.55 0.12 -0.78 -1.14 0.00 0.00 176.83 175.65 1nku h ASP 143 N 0.76 0.45 -0.41 3.07 3.58 -1.35 -1.37 116.42 121.15 1nku h ASP 143 Ca 0.20 -0.17 -0.15 0.00 0.42 0.00 0.00 57.03 57.33 1nku h ASP 143 Cb -0.00 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1nku h ASP 143 CO -0.04 0.50 -0.32 0.00 -2.88 0.00 0.00 179.24 176.51 1nku h ALA 144 N 0.97 0.60 -0.23 -0.78 0.00 -1.15 -2.87 119.26 115.79 1nku h ALA 144 Ca 0.11 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1nku h ALA 144 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1nku h ALA 144 CO -0.01 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.22 1nku h LEU 145 N 0.77 0.07 -1.11 0.00 5.85 0.63 -1.59 115.31 119.93 1nku h LEU 145 Ca 0.08 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1nku h LEU 145 Cb 0.91 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1nku h LEU 145 CO 0.08 0.07 0.60 -1.28 -0.34 0.00 0.00 178.44 177.58 1nku h SER 146 N 0.17 0.96 -0.75 1.25 0.87 -1.22 0.11 113.55 114.95 1nku h SER 146 Ca 0.10 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1nku h SER 146 Cb 0.08 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1nku h SER 146 CO -0.12 0.63 0.41 0.50 -0.53 0.00 0.00 176.83 177.72 1nku h LYS 147 N 1.10 1.05 -0.07 2.24 1.63 -1.10 0.47 116.57 121.89 1nku h LYS 147 Ca 0.39 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 1nku h LYS 147 Cb 0.13 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1nku h LYS 147 CO -0.14 0.79 -0.05 0.00 -3.45 0.00 0.00 179.45 176.60 1nku h ALA 148 N 1.21 0.10 -0.70 5.00 0.00 -0.35 -1.73 119.26 122.80 1nku h ALA 148 Ca 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nku h ALA 148 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1nku h ALA 148 CO -0.04 -0.12 0.33 -0.07 0.00 0.00 0.00 179.25 179.36 1nku h LEU 149 N -0.25 0.90 -0.26 0.00 3.38 -0.83 -1.14 115.31 117.11 1nku h LEU 149 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1nku h LEU 149 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1nku h LEU 149 CO 0.01 0.76 0.13 0.50 0.09 0.00 0.00 178.44 179.93 1nku h LYS 150 N 0.99 0.37 -0.56 1.13 3.64 0.06 0.24 116.57 122.44 1nku h LYS 150 Ca 0.24 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1nku h LYS 150 Cb 0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1nku h LYS 150 CO -0.03 0.36 0.11 -0.22 -2.27 0.00 0.00 179.45 177.40 1nku h LYS 151 N 0.29 0.87 0.00 1.90 3.64 -0.92 -1.68 116.57 120.67 1nku h LYS 151 Ca 0.09 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1nku h LYS 151 Cb 0.11 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1nku h LYS 151 CO -0.01 0.80 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.85 1nku h ARG 152 N 0.83 0.00 0.00 1.90 9.65 -0.84 -3.45 114.38 122.47 1nku h ARG 152 Ca 0.18 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1nku h ARG 152 Cb 0.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1nku h ARG 152 CO 0.00 0.02 0.00 0.41 2.80 0.00 0.00 179.97 183.21 1nku n GLY 153 N -0.71 1.39 3.77 2.80 0.00 -0.63 -4.94 105.19 106.87 1nku n GLY 153 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1nku n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nku s PHE 154 N -2.00 3.70 0.12 1.61 0.40 0.03 -4.94 117.98 116.89 1nku s PHE 154 Ca 0.00 1.22 0.02 0.00 -0.60 0.00 0.00 56.93 57.57 1nku s PHE 154 Cb 0.00 -2.60 0.02 0.00 0.51 0.00 0.00 43.02 40.94 1nku s PHE 154 CO 0.00 0.38 0.14 1.63 0.70 0.00 0.00 175.22 178.07 1nku n LYS 155 N 2.60 1.08 -4.13 0.44 5.02 -1.26 -4.21 118.16 117.68 1nku n LYS 155 Ca -0.07 -0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 55.24 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 -1.07 -1.45 -1.19 2.13 -1.74 -1.26 -4.82 117.46 108.06 1nku n PHE 156 Ca 0.02 0.63 0.01 0.00 -0.56 0.00 0.00 57.45 57.55 1nku n PHE 156 Cb 0.13 -3.21 0.23 0.00 1.52 0.00 0.00 39.48 38.15 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 -4.53 2.46 -0.94 1.97 0.24 -1.26 -4.71 118.33 111.56 1nku n VAL 157 Ca -0.30 -2.22 -0.36 0.00 -2.04 0.00 0.00 64.34 59.42 1nku n VAL 157 Cb 0.68 -0.30 0.06 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.79 -3.71 0.26 7.63 0.00 -1.26 -4.42 105.19 102.91 1nku n GLY 158 Ca 0.29 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1nku n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku h THR 159 N -1.18 0.76 -0.21 2.61 1.03 -1.95 -1.76 112.91 112.20 1nku h THR 159 Ca -0.44 -0.30 -0.12 0.00 -0.01 0.00 0.00 66.41 65.54 1nku h THR 159 Cb 1.32 1.18 -0.00 0.00 -1.07 0.00 0.00 68.15 69.58 1nku h THR 159 CO 0.26 0.08 -0.34 0.71 -0.01 0.00 0.00 175.52 176.21 1nku h THR 160 N 0.00 1.32 -0.34 0.00 1.35 -1.85 -2.08 112.91 111.32 1nku h THR 160 Ca -0.00 -1.55 -0.10 0.00 -0.55 0.00 0.00 66.41 64.21 1nku h THR 160 Cb 0.17 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1nku h THR 160 CO 0.01 0.48 -0.19 0.40 -0.25 0.00 0.00 175.52 175.98 1nku h ILE 161 N 0.30 1.26 -0.22 6.82 2.04 -1.70 -1.01 117.51 125.00 1nku h ILE 161 Ca 0.02 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1nku h ILE 161 Cb 0.93 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1nku h ILE 161 CO 0.08 0.40 0.06 0.00 0.00 0.00 0.00 178.15 178.69 1nku h TYR 163 N 0.18 0.87 -0.82 0.00 3.20 -1.19 -2.08 116.97 117.14 1nku h TYR 163 Ca 0.07 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1nku h TYR 163 Cb 0.26 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1nku h TYR 163 CO 0.01 0.71 0.54 0.77 -1.64 0.00 0.00 178.16 178.55 1nku h SER 164 N 0.79 0.93 -0.32 -2.11 0.02 -0.98 0.31 113.55 112.18 1nku h SER 164 Ca 0.19 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1nku h SER 164 Cb 0.21 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1nku h SER 164 CO -0.01 0.66 0.19 0.15 -1.14 0.00 0.00 176.83 176.68 1nku h PHE 165 N 1.09 0.43 -0.73 3.45 3.04 -0.45 0.20 116.94 123.97 1nku h PHE 165 Ca 0.31 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.19 1nku h PHE 165 Cb -0.09 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.25 1nku h PHE 165 CO -0.00 0.32 0.19 0.52 -2.02 0.00 0.00 178.31 177.31 1nku h MET 166 N 0.42 1.16 -0.50 1.11 0.00 -0.72 -2.81 114.93 113.59 1nku h MET 166 Ca 0.12 -0.27 -0.11 0.00 0.00 0.00 0.00 59.70 59.44 1nku h MET 166 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 31.60 31.44 1nku h MET 166 CO -0.02 1.01 -0.11 0.37 0.00 0.00 0.00 176.91 178.15 1nku h GLN 167 N 1.10 0.93 0.43 1.72 4.15 -0.45 0.47 115.11 123.45 1nku h GLN 167 Ca 0.23 -0.33 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1nku h GLN 167 Cb 0.36 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1nku h GLN 167 CO 0.00 0.99 -0.21 0.00 -1.93 0.00 0.00 178.83 177.68 1nku h ALA 168 N 1.04 -0.58 0.03 3.38 0.00 -0.38 -2.11 119.26 120.64 1nku h ALA 168 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nku h ALA 168 Cb 0.65 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nku h ALA 168 CO 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 179.25 178.49 1nku n GLY 170 N 1.68 -0.53 4.78 0.00 0.00 0.16 -0.41 105.19 110.88 1nku n GLY 170 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nku n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nku n LEU 171 N 0.00 0.00 -4.04 0.99 4.77 -1.26 -4.26 117.00 113.20 1nku n LEU 171 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1nku n LEU 171 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1nku n LEU 171 CO 0.00 0.00 -0.41 0.68 -1.33 0.00 0.00 177.39 176.33 1nku s VAL 172 N 0.00 0.57 -0.49 4.08 -7.23 -1.26 -0.72 120.40 115.34 1nku s VAL 172 Ca 0.00 -0.85 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 1nku s VAL 172 Cb 0.00 -0.58 0.12 0.00 0.56 0.00 0.00 36.38 36.47 1nku s VAL 172 CO 0.00 -0.21 0.40 0.21 -0.31 0.00 0.00 175.10 175.18 1nku s ASN 173 N -1.16 5.89 -0.49 4.85 2.47 0.15 -4.86 114.94 121.78 1nku s ASN 173 Ca -0.06 -1.82 0.04 0.00 0.42 0.00 0.00 52.86 51.44 1nku s ASN 173 Cb -0.08 -2.09 0.13 0.00 -1.45 0.00 0.00 41.25 37.77 1nku s ASN 173 CO 0.00 -0.74 0.25 1.51 -3.72 0.00 0.00 177.10 174.40 1nku s ASP 174 N 2.95 4.20 0.00 -4.21 1.47 -1.26 -2.48 116.67 117.34 1nku s ASP 174 Ca 0.05 -2.89 0.00 0.00 1.18 0.00 0.00 52.55 50.88 1nku s ASP 174 Cb -0.27 -1.51 0.00 0.00 -0.34 0.00 0.00 42.92 40.79 1nku s ASP 174 CO 0.01 -0.25 0.00 1.41 0.68 0.00 0.00 175.17 177.03 1nku n HIS 175 N 3.25 0.00 0.00 2.11 8.25 -1.26 -4.97 115.22 122.60 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 0.33 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1nku n HIS 175 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1nku n VAL 176 N -1.69 0.00 -1.68 1.59 0.31 -1.26 -4.65 118.33 110.95 1nku n VAL 176 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 1nku n VAL 176 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1nku n VAL 176 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1nku n VAL 177 N -0.29 0.05 -1.33 2.52 0.31 0.00 -1.66 118.33 117.92 1nku n VAL 177 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1nku n VAL 177 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nku n GLY 178 N 3.62 0.68 3.53 2.92 0.00 -1.06 -4.95 105.19 109.93 1nku n GLY 178 Ca 0.17 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku s TYR 182 N -0.18 3.01 -0.02 0.00 5.04 -1.05 -4.96 117.35 119.19 1nku s TYR 182 Ca 0.25 -3.09 -0.20 0.00 -2.44 0.00 0.00 57.07 51.59 1nku s TYR 182 Cb 0.31 -2.36 -0.12 0.00 0.35 0.00 0.00 41.96 40.14 1nku s TYR 182 CO -0.06 -0.63 0.85 -1.35 -1.34 0.00 0.00 175.55 173.02 1nku h PRO 183 N 5.64 -0.59 0.00 4.97 0.11 -1.92 -2.81 132.00 137.40 1nku h PRO 183 Ca 0.13 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1nku h PRO 183 Cb 0.80 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1nku h PRO 183 CO 0.64 -0.33 0.00 0.41 -0.21 0.00 0.00 178.00 178.51 1nku n GLY 184 N 0.06 0.54 0.12 -0.55 0.00 -1.26 -4.65 105.19 99.46 1nku n GLY 184 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1nku n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nku n ASN 185 N 0.00 0.00 -3.16 1.61 4.05 -1.26 -5.05 115.26 111.45 1nku n ASN 185 Ca 0.00 -0.40 -0.19 0.00 0.45 0.00 0.00 54.58 54.44 1nku n ASN 185 Cb 0.00 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 40.95 1nku n ASN 185 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1nku s LYS 186 N 0.00 0.96 0.00 1.20 2.20 -1.26 -5.31 119.74 117.54 1nku s LYS 186 Ca 0.00 -1.73 0.30 0.00 -0.36 0.00 0.00 55.97 54.18 1nku s LYS 186 Cb 0.00 -0.91 1.56 0.00 -1.51 0.00 0.00 37.83 36.96 1nku s LYS 186 CO 0.00 -1.37 2.03 -0.35 -0.36 0.00 0.00 175.35 175.30