#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nku s GLU 2 N 0.00 3.95 0.13 3.17 0.41 -1.26 -5.07 118.70 120.03 1nku s GLU 2 Ca 0.00 1.16 -0.03 0.00 -0.41 0.00 0.00 54.97 55.69 1nku s GLU 2 Cb 0.00 -2.13 -0.03 0.00 -1.78 0.00 0.00 34.13 30.19 1nku s GLU 2 CO 0.00 -0.28 0.10 -0.98 -0.49 0.00 0.00 175.26 173.61 1nku s ARG 3 N -3.48 0.95 0.29 1.61 1.70 0.32 -4.02 118.95 116.33 1nku s ARG 3 Ca 0.63 -1.35 -0.30 0.00 -0.47 0.00 0.00 55.73 54.25 1nku s ARG 3 Cb -0.12 0.27 -0.11 0.00 -0.57 0.00 0.00 34.95 34.42 1nku s ARG 3 CO 0.21 -0.28 1.53 0.00 -1.08 0.00 0.00 175.30 175.68 1nku n GLY 5 N 1.92 0.36 0.37 0.00 0.00 -1.26 -4.16 105.19 102.42 1nku n GLY 5 Ca 0.07 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.69 1nku n GLY 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1nku h TRP 6 N 2.86 0.82 -3.33 1.61 4.06 -1.99 -3.39 115.95 116.59 1nku h TRP 6 Ca 0.00 0.02 -0.59 0.00 2.06 0.00 0.00 58.89 60.39 1nku h TRP 6 Cb 0.61 -0.26 -0.10 0.00 -1.00 0.00 0.00 29.16 28.42 1nku h TRP 6 CO 0.04 0.35 -0.25 0.54 -3.56 0.00 0.00 178.44 175.56 1nku s VAL 7 N -5.69 5.26 -0.12 1.49 0.11 -1.26 -4.95 120.40 115.23 1nku s VAL 7 Ca -0.10 0.69 0.18 0.00 -2.93 0.00 0.00 61.98 59.82 1nku s VAL 7 Cb 0.21 -3.70 -0.20 0.00 -1.53 0.00 0.00 36.38 31.16 1nku s VAL 7 CO 0.79 0.35 0.58 -1.20 -3.33 0.00 0.00 175.10 172.29 1nku n SER 8 N 3.72 0.53 0.00 3.54 7.64 -1.26 -5.04 113.62 122.74 1nku n SER 8 Ca -0.10 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1nku n SER 8 Cb 0.52 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.34 1nku n SER 8 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1nku n GLN 9 N -2.77 0.00 -3.06 1.43 -0.06 -1.26 -5.09 117.38 106.57 1nku n GLN 9 Ca -0.15 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.84 1nku n GLN 9 Cb 0.89 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.07 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1nku n ASP 10 N 0.00 -6.98 0.18 1.69 8.00 -1.26 -4.66 116.55 113.52 1nku n ASP 10 Ca 0.00 0.68 0.18 0.00 0.71 0.00 0.00 54.79 56.37 1nku n ASP 10 Cb 0.00 -2.74 0.80 0.00 -0.02 0.00 0.00 41.12 39.17 1nku n ASP 10 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1nku h PRO 11 N 3.35 0.00 -0.74 -0.24 0.11 -2.01 -1.56 132.00 130.92 1nku h PRO 11 Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1nku h PRO 11 Cb 0.73 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 1nku h PRO 11 CO 0.04 0.00 0.28 1.25 -0.21 0.00 0.00 178.00 179.36 1nku h LEU 12 N 0.00 1.03 -0.14 2.35 5.85 -2.00 -2.29 115.31 120.11 1nku h LEU 12 Ca 0.12 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1nku h LEU 12 Cb 0.77 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1nku h LEU 12 CO -0.00 0.94 0.06 0.22 -0.34 0.00 0.00 178.44 179.32 1nku h TYR 13 N 1.07 0.21 -0.87 1.25 5.03 -1.55 -1.99 116.97 120.13 1nku h TYR 13 Ca 0.24 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.60 1nku h TYR 13 Cb 0.23 -0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.39 1nku h TYR 13 CO 0.02 0.27 0.54 0.82 -1.32 0.00 0.00 178.16 178.49 1nku h ILE 14 N 0.09 1.06 -1.00 1.81 2.04 -1.59 0.26 117.51 120.18 1nku h ILE 14 Ca 0.05 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1nku h ILE 14 Cb 0.14 -0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.14 1nku h ILE 14 CO -0.01 0.18 0.66 0.00 0.00 0.00 0.00 178.15 178.98 1nku h ALA 15 N 1.40 1.32 -0.56 1.87 0.00 -1.10 -0.28 119.26 121.91 1nku h ALA 15 Ca 0.37 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1nku h ALA 15 Cb 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1nku h ALA 15 CO -0.16 0.58 -0.03 -0.92 0.00 0.00 0.00 179.25 178.71 1nku h TYR 16 N 1.29 1.07 -0.09 0.00 3.20 -0.18 -1.13 116.97 121.13 1nku h TYR 16 Ca 0.39 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1nku h TYR 16 Cb -0.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1nku h TYR 16 CO -0.00 0.97 -0.06 1.25 -1.64 0.00 0.00 178.16 178.68 1nku h HIS 17 N 0.90 -0.13 -0.58 -3.82 2.76 0.11 -2.26 115.15 112.12 1nku h HIS 17 Ca 0.16 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 1nku h HIS 17 Cb 0.57 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1nku h HIS 17 CO 0.04 -0.09 -0.02 -0.44 -1.30 0.00 0.00 177.93 176.12 1nku h ASP 18 N -0.06 1.01 -0.44 3.26 3.32 -1.10 -3.12 116.42 119.28 1nku h ASP 18 Ca 0.05 -0.29 0.05 0.00 0.02 0.00 0.00 57.03 56.87 1nku h ASP 18 Cb 0.14 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1nku h ASP 18 CO -0.12 1.07 0.17 -1.13 -1.72 0.00 0.00 179.24 177.51 1nku h ASN 19 N 0.94 0.19 0.00 6.45 -0.73 -0.81 -3.47 115.58 118.16 1nku h ASN 19 Ca 0.17 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.38 1nku h ASN 19 Cb 0.57 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1nku h ASN 19 CO 0.03 0.14 0.00 -0.62 -0.37 0.00 0.00 177.43 176.62 1nku n GLU 20 N -4.99 0.00 -2.81 6.67 1.02 -0.88 -5.06 120.64 114.59 1nku n GLU 20 Ca 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 1nku n GLU 20 Cb 0.16 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.56 1nku n GLU 20 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1nku n TRP 21 N 0.00 -2.21 0.00 -0.32 -0.00 -1.26 -4.34 117.44 109.30 1nku n TRP 21 Ca 0.00 1.29 0.00 0.00 -0.00 0.00 0.00 57.50 58.79 1nku n TRP 21 Cb 0.00 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 28.88 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 2.14 0.52 3.42 5.87 0.00 -0.85 -4.93 105.19 111.35 1nku n GLY 22 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 4.56 -0.05 1.61 1.01 -1.26 -4.74 120.40 119.54 1nku s VAL 23 Ca 0.00 -0.56 -0.38 0.00 0.00 0.00 0.00 61.98 61.04 1nku s VAL 23 Cb 0.00 -3.39 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 1nku s VAL 23 CO 0.00 -0.02 1.46 -2.65 0.00 0.00 0.00 175.10 173.89 1nku n PRO 24 N 4.98 1.05 -4.84 2.72 -0.02 -1.24 -4.00 135.00 133.66 1nku n PRO 24 Ca -0.13 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 1nku n PRO 24 Cb 0.48 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1nku n PRO 24 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1nku s GLU 25 N 1.47 2.93 0.00 -0.52 2.02 0.21 -4.94 118.70 119.88 1nku s GLU 25 Ca 0.90 -0.69 0.09 0.00 0.02 0.00 0.00 54.97 55.29 1nku s GLU 25 Cb -1.02 -2.50 0.12 0.00 0.10 0.00 0.00 34.13 30.82 1nku s GLU 25 CO 0.54 0.42 0.90 0.25 0.02 0.00 0.00 175.26 177.39 1nku n THR 26 N 2.90 0.27 -2.65 3.63 -2.24 -1.26 -4.96 114.28 109.96 1nku n THR 26 Ca -0.18 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 1nku n THR 26 Cb 0.52 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.82 7.26 0.24 3.42 1.01 -1.26 -4.92 116.67 121.60 1nku s ASP 27 Ca 0.13 1.64 -0.05 0.00 0.71 0.00 0.00 52.55 54.98 1nku s ASP 27 Cb 0.08 -2.56 0.25 0.00 1.01 0.00 0.00 42.92 41.70 1nku s ASP 27 CO 0.12 -0.40 1.77 -1.28 0.21 0.00 0.00 175.17 175.59 1nku h SER 28 N 7.01 0.93 -0.54 0.27 0.87 -1.98 -2.52 113.55 117.60 1nku h SER 28 Ca -0.36 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 59.96 1nku h SER 28 Cb 1.18 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1nku h SER 28 CO 0.82 0.90 0.13 0.07 -0.53 0.00 0.00 176.83 178.22 1nku h LYS 29 N 0.94 0.87 -0.50 2.24 2.10 -1.99 -0.52 116.57 119.71 1nku h LYS 29 Ca 0.20 -0.21 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1nku h LYS 29 Cb 0.34 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 1nku h LYS 29 CO 0.00 0.82 0.21 0.87 -2.00 0.00 0.00 179.45 179.35 1nku h LYS 30 N 0.76 0.74 -0.39 0.07 1.57 -1.92 -0.04 116.57 117.36 1nku h LYS 30 Ca 0.17 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1nku h LYS 30 Cb 0.35 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1nku h LYS 30 CO 0.00 0.64 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.41 1nku h LEU 31 N 0.66 0.71 -0.63 2.94 3.38 -1.30 -1.51 115.31 119.57 1nku h LEU 31 Ca 0.17 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1nku h LEU 31 Cb 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1nku h LEU 31 CO -0.02 0.88 0.32 0.15 0.09 0.00 0.00 178.44 179.86 1nku h PHE 32 N 0.53 0.89 -0.14 1.13 3.57 -0.90 -1.51 116.94 120.51 1nku h PHE 32 Ca 0.10 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1nku h PHE 32 Cb 0.55 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1nku h PHE 32 CO 0.04 0.66 -0.22 1.49 -2.23 0.00 0.00 178.31 178.05 1nku h GLU 33 N 0.86 0.24 0.08 1.11 4.57 -0.86 -2.53 114.58 118.06 1nku h GLU 33 Ca 0.22 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1nku h GLU 33 Cb 0.09 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1nku h GLU 33 CO -0.03 0.46 -0.04 1.98 -1.18 0.00 0.00 179.01 180.20 1nku h MET 34 N 0.22 -0.10 -0.44 1.92 4.05 -0.65 -2.38 114.93 117.56 1nku h MET 34 Ca 0.04 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 1nku h MET 34 Cb 0.52 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1nku h MET 34 CO 0.04 0.43 0.15 0.97 0.23 0.00 0.00 176.91 178.72 1nku h ILE 35 N -0.71 1.18 -0.02 1.77 6.09 -1.29 0.30 117.51 124.84 1nku h ILE 35 Ca -0.01 -0.58 -0.02 0.00 -1.37 0.00 0.00 64.86 62.89 1nku h ILE 35 Cb 0.57 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.54 1nku h ILE 35 CO 0.02 0.22 -0.05 0.00 -3.07 0.00 0.00 178.15 175.27 1nku h LEU 37 N -0.54 0.38 -1.53 0.00 -0.00 -1.33 -3.07 115.31 109.23 1nku h LEU 37 Ca -0.00 -0.22 0.16 0.00 -0.00 0.00 0.00 57.88 57.82 1nku h LEU 37 Cb 0.68 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.18 1nku h LEU 37 CO 0.01 0.89 0.53 -0.08 -0.00 0.00 0.00 178.44 179.79 1nku h GLU 38 N 0.25 0.44 -0.52 1.13 4.57 -0.46 0.18 114.58 120.17 1nku h GLU 38 Ca -0.01 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.28 1nku h GLU 38 Cb 1.12 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 1nku h GLU 38 CO 0.10 0.29 0.37 0.78 -1.18 0.00 0.00 179.01 179.37 1nku h GLY 39 N 0.45 0.15 1.45 1.92 0.00 -1.57 -0.52 103.07 104.95 1nku h GLY 39 Ca 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1nku h GLY 39 CO -0.14 0.02 0.31 1.46 0.00 0.00 0.00 176.54 178.19 1nku h GLN 40 N 0.10 0.72 -0.54 4.80 4.20 -0.81 -2.10 115.11 121.48 1nku h GLN 40 Ca 0.25 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.97 1nku h GLN 40 Cb 0.86 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1nku h GLN 40 CO -0.02 0.52 0.36 -0.56 -0.67 0.00 0.00 178.83 178.46 1nku h GLN 41 N 0.74 0.42 -6.00 1.46 -0.00 -1.20 -3.34 115.11 107.19 1nku h GLN 41 Ca 0.19 -0.03 -0.75 0.00 -0.00 0.00 0.00 58.65 58.07 1nku h GLN 41 Cb -0.01 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 27.34 1nku h GLN 41 CO -0.03 0.28 1.33 0.00 -0.00 0.00 0.00 178.83 180.40 1nku n ALA 42 N -2.51 0.39 0.00 0.06 0.00 -0.79 0.26 120.51 117.92 1nku n ALA 42 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1nku n ALA 42 Cb 0.30 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 7.15 2.30 3.96 0.00 0.00 -1.26 -4.98 105.19 112.36 1nku n GLY 43 Ca 0.51 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1nku n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nku s LEU 44 N 0.00 3.71 0.42 0.99 1.43 0.72 -5.09 118.68 120.86 1nku s LEU 44 Ca 0.00 0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1nku s LEU 44 Cb 0.00 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 1nku s LEU 44 CO 0.00 -0.64 0.75 -0.55 0.23 0.00 0.00 176.35 176.14 1nku s SER 45 N -4.20 6.42 0.28 2.29 0.15 -1.26 -4.64 113.70 112.73 1nku s SER 45 Ca 0.47 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1nku s SER 45 Cb -0.10 -2.28 0.52 0.00 -1.71 0.00 0.00 66.02 62.45 1nku s SER 45 CO 0.37 -0.44 1.84 -0.25 1.20 0.00 0.00 173.24 175.96 1nku h TRP 46 N 0.93 1.13 -0.57 3.44 2.91 -1.98 -0.77 115.95 121.04 1nku h TRP 46 Ca -0.47 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 1nku h TRP 46 Cb 1.19 -0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 29.46 1nku h TRP 46 CO 0.59 0.47 0.30 0.97 -1.03 0.00 0.00 178.44 179.75 1nku h ILE 47 N 1.01 1.18 -0.73 2.65 6.09 -2.01 -2.07 117.51 123.62 1nku h ILE 47 Ca 0.48 -0.45 -0.06 0.00 -1.37 0.00 0.00 64.86 63.46 1nku h ILE 47 Cb 0.43 0.42 -0.03 0.00 0.47 0.00 0.00 36.82 38.11 1nku h ILE 47 CO -0.25 0.20 0.23 0.74 -3.07 0.00 0.00 178.15 176.00 1nku h THR 48 N 0.79 1.26 -0.49 2.19 2.02 -1.52 -2.84 112.91 114.31 1nku h THR 48 Ca 0.20 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 1nku h THR 48 Cb 0.03 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1nku h THR 48 CO -0.03 0.35 -0.01 0.58 0.37 0.00 0.00 175.52 176.77 1nku h VAL 49 N 1.08 1.26 -0.48 3.16 2.07 -1.16 -2.41 116.25 119.77 1nku h VAL 49 Ca 0.24 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1nku h VAL 49 Cb 0.29 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1nku h VAL 49 CO -0.01 0.38 0.30 -0.07 0.02 0.00 0.00 177.57 178.19 1nku h LEU 50 N 0.74 0.57 0.12 2.57 3.38 -1.26 1.26 115.31 122.69 1nku h LEU 50 Ca 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1nku h LEU 50 Cb 0.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1nku h LEU 50 CO 0.03 0.45 -0.06 0.11 0.09 0.00 0.00 178.44 179.06 1nku h LYS 51 N 0.64 -0.15 0.00 1.13 1.57 -1.46 -2.17 116.57 116.13 1nku h LYS 51 Ca 0.17 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1nku h LYS 51 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1nku h LYS 51 CO -0.03 -0.00 -0.28 0.87 -0.57 0.00 0.00 179.45 179.44 1nku h LYS 52 N -0.27 0.00 -0.83 3.15 1.57 -1.21 -2.49 116.57 116.49 1nku h LYS 52 Ca -0.02 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1nku h LYS 52 Cb 0.22 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 1nku h LYS 52 CO 0.03 0.28 0.44 -0.09 -0.57 0.00 0.00 179.45 179.54 1nku h ARG 53 N 0.00 0.66 -0.34 3.15 2.43 0.23 1.21 114.38 121.71 1nku h ARG 53 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1nku h ARG 53 Cb 0.49 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1nku h ARG 53 CO 0.04 0.44 -0.07 0.93 -1.51 0.00 0.00 179.97 179.79 1nku h GLU 54 N 0.68 0.66 -0.64 0.20 5.08 -1.20 -2.34 114.58 117.01 1nku h GLU 54 Ca 0.43 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1nku h GLU 54 Cb 0.52 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1nku h GLU 54 CO -0.31 0.82 0.12 -0.97 -1.00 0.00 0.00 179.01 177.66 1nku h ASN 55 N 0.45 0.99 -0.70 1.42 -1.24 -0.92 -2.57 115.58 113.00 1nku h ASN 55 Ca 0.09 -0.22 0.06 0.00 0.71 0.00 0.00 56.30 56.94 1nku h ASN 55 Cb 0.57 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.30 1nku h ASN 55 CO 0.03 0.98 0.39 0.22 -1.29 0.00 0.00 177.43 177.76 1nku h TYR 56 N 0.98 0.71 -0.66 0.67 5.03 0.16 0.23 116.97 124.09 1nku h TYR 56 Ca 0.20 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.56 1nku h TYR 56 Cb 0.40 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 38.43 1nku h TYR 56 CO 0.03 0.33 0.44 0.00 -1.32 0.00 0.00 178.16 177.64 1nku h ARG 57 N 0.71 0.81 -0.59 1.82 3.08 -1.02 0.12 114.38 119.30 1nku h ARG 57 Ca 0.32 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.35 1nku h ARG 57 Cb 0.21 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1nku h ARG 57 CO -0.19 0.53 0.39 0.00 -1.07 0.00 0.00 179.97 179.63 1nku h ALA 58 N 1.60 1.67 0.02 0.04 0.00 -0.73 0.38 119.26 122.25 1nku h ALA 58 Ca 0.26 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.81 1nku h ALA 58 Cb 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1nku h ALA 58 CO -0.07 0.27 -1.93 0.00 0.00 0.00 0.00 179.25 177.52 1nku n PHE 60 N -3.06 0.00 -0.29 0.00 3.72 0.30 -4.34 117.46 113.80 1nku n PHE 60 Ca -0.24 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.19 1nku n PHE 60 Cb 1.07 -0.68 0.17 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.07 0.84 -0.65 1.38 2.76 -0.36 0.77 115.15 119.82 1nku h HIS 61 Ca -0.40 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.76 1nku h HIS 61 Cb 1.59 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 30.26 1nku h HIS 61 CO 0.01 0.34 0.27 1.96 -1.30 0.00 0.00 177.93 179.21 1nku h GLN 62 N 0.78 0.95 0.00 5.26 4.20 -1.75 -1.34 115.11 123.20 1nku h GLN 62 Ca 0.40 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1nku h GLN 62 Cb 0.37 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1nku h GLN 62 CO -0.25 0.77 0.00 0.74 -0.67 0.00 0.00 178.83 179.42 1nku h PHE 63 N 0.94 0.00 -1.90 2.96 -1.00 -1.25 -3.49 116.94 113.19 1nku h PHE 63 Ca 0.22 0.00 0.21 0.00 2.81 0.00 0.00 57.97 61.22 1nku h PHE 63 Cb 0.17 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.65 1nku h PHE 63 CO 0.01 0.00 -0.47 -3.47 -1.61 0.00 0.00 178.31 172.77 1nku n ASP 64 N -2.59 -4.94 -0.07 2.17 2.03 0.08 -4.07 116.55 109.15 1nku n ASP 64 Ca 0.03 0.53 -0.11 0.00 0.52 0.00 0.00 54.79 55.77 1nku n ASP 64 Cb 0.37 -2.63 -0.09 0.00 -0.72 0.00 0.00 41.12 38.06 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 -0.78 0.00 -0.96 -0.67 0.13 -1.88 -3.33 132.00 124.50 1nku h PRO 65 Ca -0.04 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.30 1nku h PRO 65 Cb 0.77 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.81 1nku h PRO 65 CO 0.02 0.68 0.62 -0.24 -0.23 0.00 0.00 178.00 178.85 1nku h VAL 66 N -1.00 0.67 -0.34 1.56 3.04 -1.95 -1.52 116.25 116.71 1nku h VAL 66 Ca -0.04 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1nku h VAL 66 Cb 0.74 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.09 1nku h VAL 66 CO -0.03 0.10 0.19 0.50 -1.01 0.00 0.00 177.57 177.33 1nku h LYS 67 N 0.54 0.46 -0.82 4.17 3.64 -1.71 -2.28 116.57 120.58 1nku h LYS 67 Ca 0.53 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.88 1nku h LYS 67 Cb 1.11 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 1nku h LYS 67 CO -0.27 0.37 0.54 -0.39 -2.27 0.00 0.00 179.45 177.43 1nku h VAL 68 N 0.43 1.18 0.00 2.00 -1.51 -1.39 0.35 116.25 117.31 1nku h VAL 68 Ca 0.12 -0.37 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1nku h VAL 68 Cb 0.03 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.20 1nku h VAL 68 CO -0.02 0.20 -0.13 0.00 -1.23 0.00 0.00 177.57 176.39 1nku h ALA 69 N 1.50 1.30 -0.55 5.19 0.00 -1.35 -1.03 119.26 124.33 1nku h ALA 69 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nku h ALA 69 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1nku h ALA 69 CO -0.08 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1nku n ALA 70 N -2.29 2.40 -2.14 0.00 0.00 0.93 -4.86 120.51 114.55 1nku n ALA 70 Ca -0.02 -1.13 -0.24 0.00 0.00 0.00 0.00 53.44 52.05 1nku n ALA 70 Cb 0.24 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.28 2.84 0.47 0.00 -1.94 0.43 -5.04 119.30 114.78 1nku s MET 71 Ca 0.44 -0.38 0.06 0.00 -1.71 0.00 0.00 55.69 54.10 1nku s MET 71 Cb 0.24 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 1nku s MET 71 CO 0.33 -0.58 0.29 -0.65 -0.01 0.00 0.00 175.02 174.40 1nku s GLN 72 N -4.79 2.29 0.56 2.03 -0.21 -1.26 -5.00 119.66 113.27 1nku s GLN 72 Ca 0.53 -1.90 0.24 0.00 0.02 0.00 0.00 55.36 54.25 1nku s GLN 72 Cb -0.10 -2.07 1.59 0.00 1.00 0.00 0.00 33.01 33.42 1nku s GLN 72 CO 0.41 -0.35 2.20 0.93 -2.12 0.00 0.00 175.29 176.36 1nku h GLU 73 N 1.08 0.00 -0.10 2.91 4.39 -1.99 -1.70 114.58 119.18 1nku h GLU 73 Ca -0.40 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.21 1nku h GLU 73 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1nku h GLU 73 CO 0.63 0.02 -0.35 1.05 -1.16 0.00 0.00 179.01 179.19 1nku h GLU 74 N 0.00 0.19 -0.44 2.33 4.11 -1.99 -2.87 114.58 115.90 1nku h GLU 74 Ca -0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 1nku h GLU 74 Cb 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1nku h GLU 74 CO 0.00 0.53 0.07 -0.44 0.07 0.00 0.00 179.01 179.24 1nku h ASP 75 N 0.17 0.70 -0.58 3.06 3.32 -1.69 -0.27 116.42 121.12 1nku h ASP 75 Ca 0.02 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1nku h ASP 75 Cb 0.71 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1nku h ASP 75 CO 0.05 0.78 0.04 -0.37 -1.72 0.00 0.00 179.24 178.02 1nku h VAL 76 N 0.59 1.26 -0.30 -1.35 -1.51 -1.59 -2.11 116.25 111.25 1nku h VAL 76 Ca 0.13 -1.08 -0.11 0.00 -1.23 0.00 0.00 66.70 64.41 1nku h VAL 76 Cb 0.38 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1nku h VAL 76 CO 0.01 0.40 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.39 1nku h GLU 77 N 0.95 0.60 -0.33 5.19 4.81 -1.30 -2.16 114.58 122.34 1nku h GLU 77 Ca 0.18 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1nku h GLU 77 Cb 0.50 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1nku h GLU 77 CO 0.02 0.81 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.92 1nku h ARG 78 N 0.52 0.64 0.00 1.92 9.65 -0.69 -2.98 114.38 123.44 1nku h ARG 78 Ca 0.07 -0.26 -0.07 0.00 -1.10 0.00 0.00 59.98 58.62 1nku h ARG 78 Cb 0.74 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 1nku h ARG 78 CO 0.06 0.83 -0.33 1.37 2.80 0.00 0.00 179.97 184.70 1nku h LEU 79 N 0.42 0.00 -1.96 3.80 8.10 -1.34 -2.87 115.31 121.46 1nku h LEU 79 Ca 0.08 0.00 0.21 0.00 0.11 0.00 0.00 57.88 58.29 1nku h LEU 79 Cb 0.60 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.79 1nku h LEU 79 CO 0.04 0.33 0.59 0.58 -4.11 0.00 0.00 178.44 175.87 1nku h VAL 80 N 0.00 0.49 -0.94 0.15 2.07 -1.22 0.20 116.25 117.01 1nku h VAL 80 Ca -0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1nku h VAL 80 Cb 0.88 0.57 -0.12 0.00 -1.52 0.00 0.00 31.29 31.10 1nku h VAL 80 CO 0.04 0.00 0.48 -0.61 0.02 0.00 0.00 177.57 177.51 1nku h GLN 81 N 0.00 0.49 -5.62 1.57 4.15 -1.62 -3.34 115.11 110.75 1nku h GLN 81 Ca 0.35 -0.03 -0.60 0.00 0.77 0.00 0.00 58.65 59.15 1nku h GLN 81 Cb 1.54 -0.11 -0.10 0.00 0.21 0.00 0.00 27.48 29.02 1nku h GLN 81 CO -0.00 0.33 0.10 -0.51 -1.93 0.00 0.00 178.83 176.82 1nku s ASP 82 N -5.23 6.65 -0.27 -0.69 1.01 0.71 -4.94 116.67 113.93 1nku s ASP 82 Ca -0.11 0.79 0.11 0.00 0.71 0.00 0.00 52.55 54.04 1nku s ASP 82 Cb 0.26 -2.34 0.51 0.00 1.01 0.00 0.00 42.92 42.36 1nku s ASP 82 CO 0.79 -0.28 1.46 0.00 0.21 0.00 0.00 175.17 177.35 1nku n ALA 83 N 5.12 4.00 0.31 5.23 0.00 -1.26 -4.67 120.51 129.23 1nku n ALA 83 Ca -0.02 -2.94 0.09 0.00 0.00 0.00 0.00 53.44 50.57 1nku n ALA 83 Cb 0.50 -0.74 0.44 0.00 0.00 0.00 0.00 19.45 19.65 1nku n ALA 83 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nku h GLY 84 N 1.14 0.00 -1.75 0.00 0.00 -1.94 -3.39 103.07 97.13 1nku h GLY 84 Ca 0.18 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.90 1nku h GLY 84 CO 0.36 0.00 -0.61 -0.26 0.00 0.00 0.00 176.54 176.03 1nku s ILE 85 N -4.08 1.91 0.37 2.60 -4.36 -1.26 -4.96 121.20 111.42 1nku s ILE 85 Ca -0.02 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.11 1nku s ILE 85 Cb 0.05 -2.93 -0.14 0.00 1.25 0.00 0.00 42.46 40.69 1nku s ILE 85 CO 0.17 -0.03 0.47 -0.38 0.24 0.00 0.00 174.94 175.41 1nku n ILE 86 N -0.91 1.55 -3.68 8.37 5.41 -1.26 -4.90 119.36 123.95 1nku n ILE 86 Ca -0.05 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 62.85 1nku n ILE 86 Cb 0.67 -0.36 -0.08 0.00 -0.71 0.00 0.00 39.64 39.16 1nku n ILE 86 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1nku s ARG 87 N -1.34 4.15 -0.30 0.38 3.52 -1.26 -5.00 118.95 119.10 1nku s ARG 87 Ca 0.62 -0.11 -0.14 0.00 -0.13 0.00 0.00 55.73 55.97 1nku s ARG 87 Cb -0.67 -3.40 0.19 0.00 -1.56 0.00 0.00 34.95 29.50 1nku s ARG 87 CO 0.59 0.32 1.16 -1.58 -0.81 0.00 0.00 175.30 174.98 1nku s HIS 88 N 0.27 -0.01 0.43 5.12 2.46 -1.26 -5.01 115.29 117.29 1nku s HIS 88 Ca 0.11 0.00 0.19 0.00 0.47 0.00 0.00 55.06 55.83 1nku s HIS 88 Cb -0.12 0.00 1.12 0.00 -0.13 0.00 0.00 32.58 33.46 1nku s HIS 88 CO 0.01 -0.00 1.85 -0.09 -2.47 0.00 0.00 174.74 174.03 1nku h ARG 89 N 5.10 0.36 -0.38 2.88 2.43 -1.94 0.11 114.38 122.93 1nku h ARG 89 Ca -0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1nku h ARG 89 Cb 1.25 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1nku h ARG 89 CO -0.12 0.24 0.24 0.78 -1.51 0.00 0.00 179.97 179.59 1nku h GLY 90 N 0.37 0.55 0.99 2.80 0.00 -1.99 -0.62 103.07 105.16 1nku h GLY 90 Ca 0.47 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1nku h GLY 90 CO -0.17 0.22 0.20 1.70 0.00 0.00 0.00 176.54 178.49 1nku h LYS 91 N 0.51 0.86 -0.89 4.80 3.64 -1.21 -2.38 116.57 121.89 1nku h LYS 91 Ca 0.14 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1nku h LYS 91 Cb -0.02 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 1nku h LYS 91 CO -0.03 0.76 0.58 0.82 -2.27 0.00 0.00 179.45 179.31 1nku h ILE 92 N 0.78 1.17 -0.83 2.00 2.04 -0.97 -0.49 117.51 121.20 1nku h ILE 92 Ca 0.18 -0.39 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1nku h ILE 92 Cb 0.24 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 1nku h ILE 92 CO -0.01 0.21 0.54 -0.61 0.00 0.00 0.00 178.15 178.28 1nku h GLN 93 N 1.14 0.83 -0.66 2.37 4.15 -0.62 0.36 115.11 122.68 1nku h GLN 93 Ca 0.35 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.70 1nku h GLN 93 Cb -0.04 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 1nku h GLN 93 CO -0.10 0.55 0.36 0.00 -1.93 0.00 0.00 178.83 177.71 1nku h ALA 94 N 1.57 1.39 0.05 3.38 0.00 -0.73 -1.91 119.26 123.01 1nku h ALA 94 Ca 0.37 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1nku h ALA 94 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1nku h ALA 94 CO -0.14 0.50 -0.10 0.82 0.00 0.00 0.00 179.25 180.33 1nku h ILE 95 N 0.92 0.76 -0.43 0.00 1.08 -0.66 0.48 117.51 119.66 1nku h ILE 95 Ca 0.23 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.77 1nku h ILE 95 Cb 0.02 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.48 1nku h ILE 95 CO -0.04 0.00 0.09 0.40 -0.69 0.00 0.00 178.15 177.91 1nku h ILE 96 N -0.19 0.78 -0.78 -0.67 5.03 -1.24 -0.72 117.51 119.72 1nku h ILE 96 Ca 0.02 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.66 1nku h ILE 96 Cb 0.21 0.54 -0.04 0.00 -3.03 0.00 0.00 36.82 34.50 1nku h ILE 96 CO -0.06 0.04 0.41 1.23 -0.68 0.00 0.00 178.15 179.08 1nku h GLY 97 N 0.22 1.17 0.69 5.37 0.00 -0.72 -1.91 103.07 107.89 1nku h GLY 97 Ca 0.21 -0.54 0.06 0.00 0.00 0.00 0.00 47.33 47.06 1nku h GLY 97 CO -0.27 0.52 0.44 -0.57 0.00 0.00 0.00 176.54 176.66 1nku h ASN 98 N 1.09 0.68 0.01 0.19 -1.24 0.14 0.40 115.58 116.84 1nku h ASN 98 Ca 0.27 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 57.17 1nku h ASN 98 Cb 0.06 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 1nku h ASN 98 CO -0.04 0.43 -0.44 0.00 -1.29 0.00 0.00 177.43 176.10 1nku h ALA 99 N 1.38 0.85 -0.23 1.57 0.00 -0.84 -0.30 119.26 121.68 1nku h ALA 99 Ca 0.34 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1nku h ALA 99 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nku h ALA 99 CO -0.18 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.77 1nku h ARG 100 N 0.43 0.37 -0.41 0.00 3.08 -0.43 0.35 114.38 117.76 1nku h ARG 100 Ca 0.03 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 1nku h ARG 100 Cb 0.93 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1nku h ARG 100 CO 0.08 0.49 -0.35 0.00 -1.07 0.00 0.00 179.97 179.12 1nku h ALA 101 N 0.86 0.60 -0.27 0.04 0.00 -0.93 -2.47 119.26 117.09 1nku h ALA 101 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1nku h ALA 101 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nku h ALA 101 CO 0.00 0.68 0.10 -0.92 0.00 0.00 0.00 179.25 179.11 1nku h TYR 102 N 0.79 0.42 -0.91 0.00 5.03 -0.90 -2.81 116.97 118.58 1nku h TYR 102 Ca 0.07 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1nku h TYR 102 Cb 0.95 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.06 1nku h TYR 102 CO 0.06 0.44 0.57 1.25 -1.32 0.00 0.00 178.16 179.15 1nku h LEU 103 N 0.27 1.07 -1.16 2.82 5.85 -0.25 -1.88 115.31 122.03 1nku h LEU 103 Ca 0.09 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1nku h LEU 103 Cb 0.21 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1nku h LEU 103 CO -0.01 0.80 0.57 1.56 -0.34 0.00 0.00 178.44 181.03 1nku h GLN 104 N 1.24 1.07 -0.72 1.25 1.08 -1.20 -1.57 115.11 116.26 1nku h GLN 104 Ca 0.33 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1nku h GLN 104 Cb -0.09 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.07 1nku h GLN 104 CO -0.07 0.71 0.29 0.52 -0.95 0.00 0.00 178.83 179.34 1nku h MET 105 N 1.11 1.06 0.00 1.46 2.86 -1.11 -2.29 114.93 118.01 1nku h MET 105 Ca 0.34 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1nku h MET 105 Cb -0.01 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1nku h MET 105 CO -0.10 0.85 -0.36 1.49 1.06 0.00 0.00 176.91 179.86 1nku h GLU 106 N 1.04 0.00 -0.85 1.72 4.81 -1.09 -3.04 114.58 117.16 1nku h GLU 106 Ca 0.24 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.65 1nku h GLU 106 Cb 0.18 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 1nku h GLU 106 CO -0.02 0.36 0.56 1.96 -0.73 0.00 0.00 179.01 181.14 1nku h GLN 107 N 0.00 0.44 -0.13 1.92 4.20 -0.81 0.81 115.11 121.55 1nku h GLN 107 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1nku h GLN 107 Cb 0.74 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1nku h GLN 107 CO 0.05 0.29 0.00 0.09 -0.67 0.00 0.00 178.83 178.59 1nku n ASN 108 N -4.51 1.28 -0.35 1.46 3.02 -1.16 -4.86 115.26 110.14 1nku n ASN 108 Ca 0.17 -1.65 -0.05 0.00 -0.03 0.00 0.00 54.58 53.03 1nku n ASN 108 Cb 0.61 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.73 2.94 7.41 0.00 0.28 -4.98 105.19 112.63 1nku n GLY 109 Ca 0.15 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.16 1.80 0.24 1.61 2.12 -1.17 -5.02 118.70 116.12 1nku s GLU 110 Ca 0.00 -2.40 -0.30 0.00 0.36 0.00 0.00 54.97 52.62 1nku s GLU 110 Cb 0.00 -3.19 -0.14 0.00 0.26 0.00 0.00 34.13 31.06 1nku s GLU 110 CO 0.00 -1.08 1.22 -2.30 -0.54 0.00 0.00 175.26 172.56 1nku n PRO 111 N 3.39 1.61 0.28 4.30 -0.02 -1.26 -4.12 135.00 139.19 1nku n PRO 111 Ca 0.05 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1nku n PRO 111 Cb 0.34 -2.10 0.83 0.00 -0.02 0.00 0.00 33.50 32.56 1nku n PRO 111 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1nku h PHE 112 N 3.19 0.00 -0.75 6.00 -0.00 -1.86 -1.09 116.94 122.44 1nku h PHE 112 Ca -0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.51 1nku h PHE 112 Cb 1.31 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.23 1nku h PHE 112 CO 0.53 0.07 0.36 0.00 -0.00 0.00 0.00 178.31 179.26 1nku h ALA 113 N 1.93 1.22 -0.19 12.09 0.00 -1.92 -0.90 119.26 131.49 1nku h ALA 113 Ca -0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1nku h ALA 113 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nku h ALA 113 CO 0.01 0.60 -0.23 0.22 0.00 0.00 0.00 179.25 179.85 1nku h ASP 114 N 1.07 0.33 0.16 0.00 3.58 -1.55 -2.98 116.42 117.03 1nku h ASP 114 Ca 0.26 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1nku h ASP 114 Cb 0.11 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1nku h ASP 114 CO -0.03 0.57 -0.10 0.15 -2.88 0.00 0.00 179.24 176.94 1nku h PHE 115 N 0.30 -0.27 -0.90 0.28 3.57 -1.04 -2.10 116.94 116.78 1nku h PHE 115 Ca 0.05 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1nku h PHE 115 Cb 0.57 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 1nku h PHE 115 CO 0.01 -0.16 0.58 -0.24 -2.23 0.00 0.00 178.31 176.27 1nku h VAL 116 N -0.26 1.11 -0.91 1.41 3.04 -1.40 -0.58 116.25 118.66 1nku h VAL 116 Ca -0.01 -0.37 0.10 0.00 -1.01 0.00 0.00 66.70 65.40 1nku h VAL 116 Cb 0.22 -0.08 -0.07 0.00 -2.01 0.00 0.00 31.29 29.36 1nku h VAL 116 CO 0.01 0.20 0.58 -0.50 -1.01 0.00 0.00 177.57 176.85 1nku h TRP 117 N 1.09 0.98 -0.04 3.17 4.06 -1.29 -0.07 115.95 123.84 1nku h TRP 117 Ca 0.38 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.29 1nku h TRP 117 Cb 0.08 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.92 1nku h TRP 117 CO -0.02 0.44 -0.27 0.66 -3.56 0.00 0.00 178.44 175.70 1nku h SER 118 N 0.90 0.07 0.10 -3.49 4.64 -0.45 0.16 113.55 115.49 1nku h SER 118 Ca 0.42 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1nku h SER 118 Cb 0.41 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1nku h SER 118 CO -0.18 0.34 -0.05 -0.26 -0.87 0.00 0.00 176.83 175.81 1nku h PHE 119 N 0.07 0.00 -0.62 4.77 -1.00 -0.72 -0.34 116.94 119.09 1nku h PHE 119 Ca 0.01 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.65 1nku h PHE 119 Cb 0.51 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.99 1nku h PHE 119 CO 0.00 0.05 0.16 1.33 -1.61 0.00 0.00 178.31 178.24 1nku n VAL 120 N -3.97 2.80 -2.81 -0.55 0.24 -0.92 -4.89 118.33 108.24 1nku n VAL 120 Ca -0.03 -1.70 -0.16 0.00 -2.04 0.00 0.00 64.34 60.41 1nku n VAL 120 Cb 0.14 -0.33 0.03 0.00 -1.47 0.00 0.00 33.84 32.21 1nku n VAL 120 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nku n ASN 121 N -0.11 -4.88 -0.40 -1.34 5.15 -0.14 -2.26 115.26 111.28 1nku n ASN 121 Ca 0.35 -0.21 -0.02 0.00 -0.60 0.00 0.00 54.58 54.11 1nku n ASN 121 Cb 1.26 -3.74 -0.01 0.00 -0.53 0.00 0.00 39.78 36.77 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1nku n HIS 122 N -4.17 -0.27 -4.53 1.20 -0.00 0.51 -4.84 115.22 103.12 1nku n HIS 122 Ca -0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.30 1nku n HIS 122 Cb 0.59 -1.10 -0.12 0.00 -0.00 0.00 0.00 29.99 29.36 1nku n HIS 122 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1nku s GLN 123 N -1.15 3.16 0.43 1.57 -0.21 -0.96 -5.02 119.66 117.48 1nku s GLN 123 Ca 0.00 -0.53 -0.24 0.00 0.02 0.00 0.00 55.36 54.61 1nku s GLN 123 Cb 0.00 -2.73 -0.08 0.00 1.00 0.00 0.00 33.01 31.20 1nku s GLN 123 CO 0.00 0.48 1.17 -1.25 -2.12 0.00 0.00 175.29 173.58 1nku s PRO 124 N -0.31 3.90 -0.00 2.91 0.04 -1.26 -4.88 135.00 135.40 1nku s PRO 124 Ca 0.05 1.82 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1nku s PRO 124 Cb -0.13 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1nku s PRO 124 CO 0.02 -0.44 -0.06 -0.65 0.04 0.00 0.00 177.00 175.91 1nku s GLN 125 N -2.49 2.58 0.06 4.56 -0.21 -0.97 -5.06 119.66 118.14 1nku s GLN 125 Ca 0.60 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 55.31 1nku s GLN 125 Cb -0.30 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 1nku s GLN 125 CO 0.37 0.61 -0.08 -1.64 -2.12 0.00 0.00 175.29 172.43 1nku s MET 126 N -1.36 0.66 0.08 2.91 -1.94 -1.26 -1.04 119.30 117.34 1nku s MET 126 Ca 0.17 -0.96 0.01 0.00 -1.71 0.00 0.00 55.69 53.20 1nku s MET 126 Cb -0.11 -0.34 -0.04 0.00 2.01 0.00 0.00 34.83 36.35 1nku s MET 126 CO 0.07 0.05 -0.06 -0.08 -0.01 0.00 0.00 175.02 174.98 1nku s THR 127 N -2.06 0.59 -0.34 2.05 -1.32 -1.08 -4.89 115.64 108.59 1nku s THR 127 Ca -0.02 -1.72 0.08 0.00 -1.21 0.00 0.00 61.69 58.82 1nku s THR 127 Cb -0.05 -1.41 0.45 0.00 -1.51 0.00 0.00 72.50 69.98 1nku s THR 127 CO -0.01 -0.78 1.14 0.00 -2.21 0.00 0.00 174.62 172.77 1nku n GLN 128 N 0.33 3.25 -1.88 7.08 0.00 -1.26 -4.77 117.38 120.12 1nku n GLN 128 Ca -0.15 -4.17 -0.35 0.00 0.00 0.00 0.00 57.00 52.33 1nku n GLN 128 Cb 0.59 -2.15 0.05 0.00 0.00 0.00 0.00 30.24 28.73 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nku s ALA 129 N -3.57 2.46 -0.21 2.61 0.00 -1.26 -4.86 121.76 116.92 1nku s ALA 129 Ca 0.47 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 1nku s ALA 129 Cb 0.40 -3.44 -0.19 0.00 0.00 0.00 0.00 23.12 19.89 1nku s ALA 129 CO -0.04 -1.31 0.03 2.41 0.00 0.00 0.00 175.76 176.85 1nku n THR 130 N -1.87 1.59 -4.34 0.00 -1.04 -1.26 -3.28 114.28 104.08 1nku n THR 130 Ca 0.13 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.05 61.52 1nku n THR 130 Cb 0.50 -1.82 -0.09 0.00 -1.82 0.00 0.00 70.33 67.10 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 -2.48 3.03 0.38 12.58 2.01 -1.26 -4.44 115.64 125.46 1nku s THR 131 Ca -0.31 -1.88 0.08 0.00 0.31 0.00 0.00 61.69 59.89 1nku s THR 131 Cb 0.09 -2.54 0.30 0.00 0.01 0.00 0.00 72.50 70.36 1nku s THR 131 CO 0.61 -0.22 1.96 -0.07 -0.69 0.00 0.00 174.62 176.21 1nku h LEU 132 N 2.60 0.58 -1.51 4.42 3.38 -1.96 -0.16 115.31 122.67 1nku h LEU 132 Ca -0.45 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1nku h LEU 132 Cb 1.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1nku h LEU 132 CO 0.56 0.36 -0.03 0.77 0.09 0.00 0.00 178.44 180.19 1nku h SER 133 N 0.66 0.25 -0.02 -0.43 4.64 -2.02 -1.92 113.55 114.70 1nku h SER 133 Ca 0.31 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 1nku h SER 133 Cb 0.37 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1nku h SER 133 CO -0.11 0.33 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.75 1nku h GLU 134 N 0.27 0.29 -6.26 4.77 4.39 -1.42 -3.41 114.58 113.20 1nku h GLU 134 Ca 0.06 -0.06 -0.56 0.00 0.34 0.00 0.00 59.36 59.13 1nku h GLU 134 Cb 0.24 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1nku h GLU 134 CO 0.01 0.41 1.15 0.42 -1.16 0.00 0.00 179.01 179.83 1nku s ILE 135 N -4.77 3.61 0.20 3.13 1.01 -0.72 -4.97 121.20 118.68 1nku s ILE 135 Ca -0.06 0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 1nku s ILE 135 Cb 0.15 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 1nku s ILE 135 CO 0.74 -0.23 0.97 -2.16 0.00 0.00 0.00 174.94 174.26 1nku s PRO 136 N 4.67 4.77 0.00 2.79 0.04 -1.26 -4.94 135.00 141.07 1nku s PRO 136 Ca 0.74 1.52 0.22 0.00 0.04 0.00 0.00 61.00 63.53 1nku s PRO 136 Cb -0.27 -3.30 0.52 0.00 0.04 0.00 0.00 34.50 31.48 1nku s PRO 136 CO 0.30 0.36 1.44 -2.37 0.04 0.00 0.00 177.00 176.77 1nku n THR 137 N 1.95 0.39 -3.82 1.26 5.66 -1.26 -4.73 114.28 113.72 1nku n THR 137 Ca -0.00 -0.60 -0.35 0.00 -3.05 0.00 0.00 64.05 60.04 1nku n THR 137 Cb 0.47 0.80 -0.12 0.00 -1.55 0.00 0.00 70.33 69.93 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1nku s SER 138 N -1.53 5.16 0.11 1.09 0.15 -1.26 -4.87 113.70 112.55 1nku s SER 138 Ca 0.36 -1.96 0.09 0.00 0.70 0.00 0.00 55.95 55.15 1nku s SER 138 Cb 0.21 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1nku s SER 138 CO 0.30 -0.49 -0.23 0.42 1.20 0.00 0.00 173.24 174.43 1nku s THR 139 N 1.13 1.92 0.45 6.45 -4.23 -1.26 -5.03 115.64 115.07 1nku s THR 139 Ca 0.07 -1.61 0.11 0.00 -1.18 0.00 0.00 61.69 59.09 1nku s THR 139 Cb -0.22 -1.72 0.28 0.00 1.34 0.00 0.00 72.50 72.18 1nku s THR 139 CO -0.04 0.01 2.07 1.55 -0.54 0.00 0.00 174.62 177.67 1nku h PRO 140 N 4.05 0.35 -0.01 3.99 0.13 -2.00 -2.15 132.00 136.35 1nku h PRO 140 Ca -0.48 -0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.37 1nku h PRO 140 Cb 1.17 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 32.25 1nku h PRO 140 CO 0.40 0.23 -1.01 0.00 -0.23 0.00 0.00 178.00 177.38 1nku h ALA 141 N 1.81 0.17 -0.62 -0.56 0.00 -1.96 -2.58 119.26 115.52 1nku h ALA 141 Ca 0.14 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1nku h ALA 141 Cb 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1nku h ALA 141 CO -0.03 0.70 0.23 0.66 0.00 0.00 0.00 179.25 180.81 1nku h SER 142 N 0.39 0.87 -0.33 0.00 4.64 -1.83 0.32 113.55 117.60 1nku h SER 142 Ca -0.12 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1nku h SER 142 Cb 1.66 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1nku h SER 142 CO 0.20 0.81 -0.06 0.44 -0.87 0.00 0.00 176.83 177.35 1nku h ASP 143 N 0.87 0.63 -0.36 4.97 3.32 -1.45 -2.20 116.42 122.19 1nku h ASP 143 Ca 0.20 -0.35 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 1nku h ASP 143 Cb 0.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1nku h ASP 143 CO -0.01 0.83 -0.30 0.00 -1.72 0.00 0.00 179.24 178.04 1nku h ALA 144 N 0.82 0.70 -0.83 3.45 0.00 -1.27 -2.88 119.26 119.25 1nku h ALA 144 Ca 0.09 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nku h ALA 144 Cb 0.54 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1nku h ALA 144 CO 0.03 0.67 0.51 1.25 0.00 0.00 0.00 179.25 181.70 1nku h LEU 145 N 0.75 0.99 -0.78 0.00 6.46 -0.26 -1.82 115.31 120.66 1nku h LEU 145 Ca 0.08 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1nku h LEU 145 Cb 0.86 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1nku h LEU 145 CO 0.08 0.76 0.41 0.28 -0.62 0.00 0.00 178.44 179.34 1nku h SER 146 N 1.13 0.98 -0.51 1.25 0.02 -1.27 -1.92 113.55 113.24 1nku h SER 146 Ca 0.30 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1nku h SER 146 Cb -0.06 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 1nku h SER 146 CO -0.06 0.82 0.22 0.11 -1.14 0.00 0.00 176.83 176.78 1nku h LYS 147 N 1.08 0.81 -0.05 3.45 1.57 -1.20 -0.33 116.57 121.89 1nku h LYS 147 Ca 0.27 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1nku h LYS 147 Cb 0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1nku h LYS 147 CO -0.04 0.66 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 1nku h ALA 148 N 1.45 0.07 -0.55 3.86 0.00 -0.61 -1.91 119.26 121.57 1nku h ALA 148 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1nku h ALA 148 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nku h ALA 148 CO -0.02 -0.26 0.08 -0.07 0.00 0.00 0.00 179.25 178.98 1nku h LEU 149 N -0.19 0.83 -0.86 0.00 3.38 -1.18 -2.37 115.31 114.93 1nku h LEU 149 Ca 0.02 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1nku h LEU 149 Cb 0.32 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1nku h LEU 149 CO 0.00 0.85 0.56 0.50 0.09 0.00 0.00 178.44 180.44 1nku h LYS 150 N 0.83 1.08 -0.91 1.13 3.64 -0.90 -1.37 116.57 120.07 1nku h LYS 150 Ca 0.17 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1nku h LYS 150 Cb 0.38 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1nku h LYS 150 CO 0.01 0.71 0.54 -0.22 -2.27 0.00 0.00 179.45 178.22 1nku h LYS 151 N 1.11 1.24 0.00 1.90 3.64 -0.84 -0.60 116.57 123.02 1nku h LYS 151 Ca 0.33 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1nku h LYS 151 Cb -0.04 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.52 1nku h LYS 151 CO -0.10 0.88 -0.01 0.00 -2.27 0.00 0.00 179.45 177.95 1nku h ARG 152 N 1.26 0.00 0.00 1.90 3.08 -0.95 -3.45 114.38 116.22 1nku h ARG 152 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1nku h ARG 152 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1nku h ARG 152 CO -0.06 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.26 1nku n GLY 153 N -0.61 1.10 3.76 0.04 0.00 -0.23 -4.88 105.19 104.38 1nku n GLY 153 Ca -0.01 0.00 -0.40 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 3.33 0.29 1.61 0.40 -0.74 -4.96 117.98 115.91 1nku s PHE 154 Ca 0.00 1.60 0.09 0.00 -0.60 0.00 0.00 56.93 58.02 1nku s PHE 154 Cb 0.00 -3.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 1nku s PHE 154 CO 0.00 -1.02 0.08 0.15 0.70 0.00 0.00 175.22 175.13 1nku s LYS 155 N -1.78 2.44 -0.75 0.44 1.02 -1.26 -4.47 119.74 115.38 1nku s LYS 155 Ca 0.49 -1.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.07 1nku s LYS 155 Cb -0.33 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1nku s LYS 155 CO 0.42 0.29 0.64 1.19 -0.92 0.00 0.00 175.35 176.97 1nku n PHE 156 N -1.03 -1.47 -1.20 3.18 3.72 -1.26 -4.93 117.46 114.47 1nku n PHE 156 Ca -0.06 0.58 0.03 0.00 -0.05 0.00 0.00 57.45 57.95 1nku n PHE 156 Cb 0.59 -3.67 0.22 0.00 -0.94 0.00 0.00 39.48 35.69 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1nku n VAL 157 N -3.31 2.39 -1.10 -4.37 0.24 -1.26 -4.60 118.33 106.32 1nku n VAL 157 Ca -0.10 -2.27 -0.36 0.00 -2.04 0.00 0.00 64.34 59.56 1nku n VAL 157 Cb 0.58 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.71 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 -0.85 -3.36 0.39 7.63 0.00 -1.26 -4.31 105.19 103.42 1nku n GLY 158 Ca 0.27 -0.54 0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.67 0.74 -0.39 2.61 2.02 -1.96 0.65 112.91 115.92 1nku h THR 159 Ca -0.43 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1nku h THR 159 Cb 1.35 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1nku h THR 159 CO 0.33 0.02 -0.13 0.71 0.37 0.00 0.00 175.52 176.83 1nku h THR 160 N 0.13 1.28 -0.24 3.16 1.35 -1.93 -1.14 112.91 115.52 1nku h THR 160 Ca 0.30 -1.24 -0.10 0.00 -0.55 0.00 0.00 66.41 64.82 1nku h THR 160 Cb 1.00 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1nku h THR 160 CO -0.04 0.41 -0.28 0.40 -0.25 0.00 0.00 175.52 175.77 1nku h ILE 161 N 0.59 1.27 -0.18 6.82 5.03 -1.21 -1.64 117.51 128.18 1nku h ILE 161 Ca 0.09 -1.31 -0.03 0.00 -0.12 0.00 0.00 64.86 63.49 1nku h ILE 161 Cb 0.66 1.39 -0.01 0.00 -3.03 0.00 0.00 36.82 35.84 1nku h ILE 161 CO 0.05 0.41 -0.01 0.00 -0.68 0.00 0.00 178.15 177.92 1nku h TYR 163 N 0.08 1.07 -0.45 0.00 3.20 -1.06 -1.53 116.97 118.27 1nku h TYR 163 Ca 0.05 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1nku h TYR 163 Cb 0.40 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1nku h TYR 163 CO 0.04 0.76 0.25 0.77 -1.64 0.00 0.00 178.16 178.34 1nku h SER 164 N 1.07 0.54 0.32 -2.11 0.02 -1.09 -2.05 113.55 110.26 1nku h SER 164 Ca 0.27 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1nku h SER 164 Cb 0.06 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1nku h SER 164 CO -0.04 0.44 -0.15 0.15 -1.14 0.00 0.00 176.83 176.08 1nku h PHE 165 N 0.62 -0.40 -0.97 3.45 3.57 -0.14 -0.41 116.94 122.67 1nku h PHE 165 Ca 0.16 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1nku h PHE 165 Cb 0.01 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 1nku h PHE 165 CO 0.00 -0.24 0.64 0.52 -2.23 0.00 0.00 178.31 177.00 1nku h MET 166 N -0.45 1.16 0.13 1.11 0.00 -1.22 1.19 114.93 116.86 1nku h MET 166 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 59.70 59.58 1nku h MET 166 Cb 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 31.60 31.68 1nku h MET 166 CO 0.07 0.77 -0.06 0.37 0.00 0.00 0.00 176.91 178.06 1nku h GLN 167 N 1.20 -0.16 0.05 1.72 4.15 -0.87 0.26 115.11 121.46 1nku h GLN 167 Ca 0.40 0.01 -0.21 0.00 0.77 0.00 0.00 58.65 59.62 1nku h GLN 167 Cb 0.05 0.04 0.02 0.00 0.21 0.00 0.00 27.48 27.80 1nku h GLN 167 CO -0.13 -0.08 -0.83 0.00 -1.93 0.00 0.00 178.83 175.86 1nku h ALA 168 N 0.66 0.03 -0.55 3.38 0.00 -0.71 -2.24 119.26 119.83 1nku h ALA 168 Ca -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.27 1nku h ALA 168 Cb 0.17 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1nku h ALA 168 CO 0.03 0.47 0.37 0.00 0.00 0.00 0.00 179.25 180.12 1nku n GLY 170 N -1.47 0.78 0.36 0.00 0.00 0.88 -0.62 105.19 105.13 1nku n GLY 170 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.89 -8.89 0.99 -0.00 -1.73 -3.28 115.31 103.29 1nku h LEU 171 Ca 0.00 0.05 -0.69 0.00 -0.00 0.00 0.00 57.88 57.24 1nku h LEU 171 Cb 0.00 -0.12 -0.23 0.00 -0.00 0.00 0.00 40.66 40.31 1nku h LEU 171 CO 0.00 0.45 -0.86 0.68 -0.00 0.00 0.00 178.44 178.71 1nku s VAL 172 N -5.92 2.37 -0.46 1.22 -7.23 -1.24 -2.29 120.40 106.85 1nku s VAL 172 Ca -0.12 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 1nku s VAL 172 Cb 0.23 -2.01 0.09 0.00 0.56 0.00 0.00 36.38 35.24 1nku s VAL 172 CO 0.81 0.21 0.35 0.20 -0.31 0.00 0.00 175.10 176.36 1nku s ASN 173 N -1.73 5.90 -0.49 4.85 0.01 -0.21 -4.73 114.94 118.54 1nku s ASN 173 Ca 0.14 -1.52 0.04 0.00 -0.71 0.00 0.00 52.86 50.81 1nku s ASN 173 Cb -0.10 -2.09 0.13 0.00 0.41 0.00 0.00 41.25 39.59 1nku s ASN 173 CO 0.05 -0.64 0.23 -1.81 -1.51 0.00 0.00 177.10 173.43 1nku s ASP 174 N 2.54 4.32 -0.28 -1.22 1.01 -1.26 -2.65 116.67 119.14 1nku s ASP 174 Ca 0.04 -2.89 0.16 0.00 0.71 0.00 0.00 52.55 50.57 1nku s ASP 174 Cb -0.25 -1.60 0.49 0.00 1.01 0.00 0.00 42.92 42.57 1nku s ASP 174 CO 0.04 -0.25 1.13 1.41 0.21 0.00 0.00 175.17 177.71 1nku n HIS 175 N 3.27 1.87 0.00 4.23 8.25 -1.26 -5.05 115.22 126.53 1nku n HIS 175 Ca 0.05 -2.23 0.00 0.00 -0.26 0.00 0.00 57.72 55.28 1nku n HIS 175 Cb 0.33 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1nku n HIS 175 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1nku n VAL 176 N -0.61 0.00 -0.66 1.59 0.24 -1.26 -3.87 118.33 113.76 1nku n VAL 176 Ca 0.22 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.59 1nku n VAL 176 Cb 0.86 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 33.41 1nku n VAL 176 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1nku n VAL 177 N 0.00 1.71 -1.46 3.34 0.24 -1.21 -4.52 118.33 116.44 1nku n VAL 177 Ca 0.00 -1.59 0.07 0.00 -2.04 0.00 0.00 64.34 60.78 1nku n VAL 177 Cb 0.00 0.05 0.17 0.00 -1.47 0.00 0.00 33.84 32.59 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nku n GLY 178 N -0.38 4.81 1.24 7.63 0.00 -1.26 -4.65 105.19 112.59 1nku n GLY 178 Ca 0.15 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 45.05 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 -5.16 3.39 -0.07 0.00 6.14 -1.26 -4.96 117.35 115.43 1nku s TYR 182 Ca -0.06 -1.73 -0.01 0.00 0.64 0.00 0.00 57.07 55.91 1nku s TYR 182 Cb 0.22 -3.25 -0.00 0.00 0.42 0.00 0.00 41.96 39.34 1nku s TYR 182 CO 0.77 -0.93 -0.02 -1.00 0.64 0.00 0.00 175.55 175.01 1nku h PRO 183 N 8.42 0.00 0.00 4.97 0.13 -1.89 -3.40 132.00 140.23 1nku h PRO 183 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1nku h PRO 183 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1nku h PRO 183 CO 0.81 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 1nku n GLY 184 N 1.81 0.65 0.55 1.56 0.00 -1.26 -4.74 105.19 103.76 1nku n GLY 184 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.25 -3.46 1.61 2.85 -1.26 -5.07 115.26 109.68 1nku n ASN 185 Ca 0.00 -0.59 -0.28 0.00 -0.11 0.00 0.00 54.58 53.61 1nku n ASN 185 Cb 0.00 0.08 -0.11 0.00 1.24 0.00 0.00 39.78 40.99 1nku n ASN 185 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1nku s LYS 186 N 0.00 0.91 0.00 1.20 2.20 -1.26 -5.31 119.74 117.47 1nku s LYS 186 Ca 0.00 -1.94 0.31 0.00 -0.36 0.00 0.00 55.97 53.98 1nku s LYS 186 Cb 0.00 -1.54 1.87 0.00 -1.51 0.00 0.00 37.83 36.65 1nku s LYS 186 CO 0.00 -1.32 2.19 -0.35 -0.36 0.00 0.00 175.35 175.52