#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kuk h ARG 4 N 0.00 0.23 -6.60 -1.09 2.43 -1.97 -3.45 114.38 103.94 1kuk h ARG 4 Ca 0.00 -0.10 -0.66 0.00 -0.81 0.00 0.00 59.98 58.41 1kuk h ARG 4 Cb 0.00 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.38 1kuk h ARG 4 CO 0.00 0.59 -0.77 -0.06 -1.51 0.00 0.00 179.97 178.21 1kuk s PHE 5 N -4.18 2.55 0.70 2.20 0.40 -1.26 -5.13 117.98 113.26 1kuk s PHE 5 Ca -0.04 -0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.92 1kuk s PHE 5 Cb 0.14 -1.30 0.01 0.00 0.51 0.00 0.00 43.02 42.38 1kuk s PHE 5 CO 0.77 0.45 1.06 -1.25 0.70 0.00 0.00 175.22 176.95 1kuk s PRO 6 N -2.46 2.87 0.24 0.24 0.04 -1.26 -4.79 135.00 129.87 1kuk s PRO 6 Ca 0.21 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1kuk s PRO 6 Cb -0.10 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 1kuk s PRO 6 CO 0.12 -1.12 1.47 -1.14 0.04 0.00 0.00 177.00 176.36 1kuk s GLN 7 N -5.09 4.25 0.14 4.56 2.00 -1.26 -4.82 119.66 119.45 1kuk s GLN 7 Ca 0.58 2.32 0.00 0.00 -2.00 0.00 0.00 55.36 56.27 1kuk s GLN 7 Cb -0.14 -3.11 -0.04 0.00 0.80 0.00 0.00 33.01 30.52 1kuk s GLN 7 CO 0.55 -0.46 0.02 1.03 -0.50 0.00 0.00 175.29 175.93 1kuk s ARG 8 N -0.13 0.99 -0.02 1.67 1.81 -0.82 -4.90 118.95 117.55 1kuk s ARG 8 Ca 0.61 -1.47 -0.00 0.00 -1.72 0.00 0.00 55.73 53.15 1kuk s ARG 8 Cb -0.42 -0.01 0.03 0.00 -0.45 0.00 0.00 34.95 34.09 1kuk s ARG 8 CO 0.42 -0.18 0.03 0.71 -0.68 0.00 0.00 175.30 175.59 1kuk s TYR 9 N -3.85 0.02 -0.19 -0.53 1.51 -0.00 -1.15 117.35 113.16 1kuk s TYR 9 Ca 0.23 0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.41 1kuk s TYR 9 Cb 0.07 -0.20 0.03 0.00 -0.11 0.00 0.00 41.96 41.76 1kuk s TYR 9 CO 0.02 -0.08 -0.14 0.42 -1.11 0.00 0.00 175.55 174.66 1kuk s ILE 10 N 0.90 1.81 -0.46 2.71 1.01 -0.38 -4.27 121.20 122.52 1kuk s ILE 10 Ca -0.07 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.37 1kuk s ILE 10 Cb -0.11 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.61 1kuk s ILE 10 CO -0.03 0.30 0.65 -1.61 0.00 0.00 0.00 174.94 174.26 1kuk s GLU 11 N 1.35 3.24 0.13 2.79 8.01 -1.26 -1.77 118.70 131.18 1kuk s GLU 11 Ca 0.01 -0.51 -0.10 0.00 0.01 0.00 0.00 54.97 54.38 1kuk s GLU 11 Cb -0.15 -3.99 -0.06 0.00 -4.31 0.00 0.00 34.13 25.61 1kuk s GLU 11 CO -0.10 -1.09 0.46 -0.51 0.01 0.00 0.00 175.26 174.03 1kuk s LEU 12 N 2.83 4.29 -0.10 1.80 1.43 0.93 -0.58 118.68 129.28 1kuk s LEU 12 Ca 0.21 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1kuk s LEU 12 Cb -0.15 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1kuk s LEU 12 CO 0.17 0.09 -0.13 0.00 0.23 0.00 0.00 176.35 176.70 1kuk s ALA 13 N -1.55 2.65 -0.10 4.21 0.00 -0.02 -0.28 121.76 126.67 1kuk s ALA 13 Ca 0.38 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1kuk s ALA 13 Cb -0.13 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 1kuk s ALA 13 CO 0.20 0.35 -0.23 0.42 0.00 0.00 0.00 175.76 176.50 1kuk s ILE 14 N -0.01 2.16 -0.14 0.00 -1.09 -0.33 -1.44 121.20 120.35 1kuk s ILE 14 Ca -0.03 -0.98 -0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1kuk s ILE 14 Cb -0.14 -1.83 -0.01 0.00 -1.58 0.00 0.00 42.46 38.90 1kuk s ILE 14 CO 0.04 0.56 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.48 1kuk s VAL 15 N 0.36 2.95 -0.25 2.92 1.01 0.07 -1.25 120.40 126.21 1kuk s VAL 15 Ca -0.18 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1kuk s VAL 15 Cb -0.18 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1kuk s VAL 15 CO 0.08 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 175.06 1kuk s VAL 16 N 0.52 4.14 1.05 2.92 1.01 0.21 -0.36 120.40 129.90 1kuk s VAL 16 Ca -0.09 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1kuk s VAL 16 Cb -0.16 -2.94 0.23 0.00 0.00 0.00 0.00 36.38 33.51 1kuk s VAL 16 CO 0.04 0.34 1.21 1.51 0.00 0.00 0.00 175.10 178.21 1kuk s ASP 17 N 1.59 2.28 0.29 3.32 3.84 -0.73 -0.68 116.67 126.58 1kuk s ASP 17 Ca 0.06 0.51 0.04 0.00 -0.00 0.00 0.00 52.55 53.16 1kuk s ASP 17 Cb -0.15 -0.70 0.45 0.00 -1.38 0.00 0.00 42.92 41.14 1kuk s ASP 17 CO 0.02 -3.27 1.73 -0.74 -0.00 0.00 0.00 175.17 172.91 1kuk h HIS 18 N -2.00 0.43 -0.55 2.11 -0.00 -1.86 -0.99 115.15 112.29 1kuk h HIS 18 Ca -0.45 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.37 59.74 1kuk h HIS 18 Cb 1.27 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.56 1kuk h HIS 18 CO -1.36 0.64 0.04 0.78 -0.00 0.00 0.00 177.93 178.03 1kuk h GLY 19 N 1.06 1.02 1.44 5.26 0.00 -1.93 -0.65 103.07 109.27 1kuk h GLY 19 Ca 0.04 -0.72 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 1kuk h GLY 19 CO 0.05 0.66 -0.25 1.98 0.00 0.00 0.00 176.54 178.99 1kuk h MET 20 N 0.83 0.65 -0.22 4.80 -1.53 -1.81 -0.63 114.93 117.01 1kuk h MET 20 Ca 0.16 -0.26 0.02 0.00 -3.44 0.00 0.00 59.70 56.18 1kuk h MET 20 Cb 0.49 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 1kuk h MET 20 CO 0.02 0.84 0.06 -0.92 0.14 0.00 0.00 176.91 177.05 1kuk h TYR 21 N 0.57 0.11 -0.62 1.39 3.20 -0.80 -1.72 116.97 119.10 1kuk h TYR 21 Ca 0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1kuk h TYR 21 Cb 0.72 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1kuk h TYR 21 CO 0.03 0.05 0.33 1.15 -1.64 0.00 0.00 178.16 178.08 1kuk h THR 22 N 0.16 1.20 -0.82 1.81 2.02 -0.96 0.53 112.91 116.86 1kuk h THR 22 Ca 0.10 -0.53 0.09 0.00 0.77 0.00 0.00 66.41 66.84 1kuk h THR 22 Cb 0.08 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 66.84 1kuk h THR 22 CO -0.11 0.22 0.47 0.50 0.37 0.00 0.00 175.52 176.97 1kuk h LYS 23 N 0.84 0.79 -1.35 6.66 3.64 -0.61 -1.81 116.57 124.73 1kuk h LYS 23 Ca 0.22 -0.05 -0.40 0.00 -1.27 0.00 0.00 60.65 59.15 1kuk h LYS 23 Cb 0.06 -0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 31.53 1kuk h LYS 23 CO -0.03 0.52 0.52 0.66 -2.27 0.00 0.00 179.45 178.85 1kuk n TYR 24 N -4.73 1.96 -2.97 1.91 4.01 -0.69 -4.86 117.16 111.78 1kuk n TYR 24 Ca 0.13 -2.15 -0.19 0.00 -0.16 0.00 0.00 57.90 55.53 1kuk n TYR 24 Cb 0.25 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 1kuk n TYR 24 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1kuk n SER 25 N -0.02 -4.28 -2.75 7.72 7.64 -0.68 -2.19 113.62 119.05 1kuk n SER 25 Ca 0.38 -0.17 -0.17 0.00 1.01 0.00 0.00 58.87 59.93 1kuk n SER 25 Cb 0.66 -3.55 -0.00 0.00 -1.01 0.00 0.00 64.21 60.31 1kuk n SER 25 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1kuk n SER 26 N -2.17 -4.14 -4.29 6.43 7.64 0.15 -4.91 113.62 112.33 1kuk n SER 26 Ca -0.08 -0.02 -0.45 0.00 1.01 0.00 0.00 58.87 59.33 1kuk n SER 26 Cb 0.58 -3.47 -0.05 0.00 -1.01 0.00 0.00 64.21 60.26 1kuk n SER 26 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1kuk s ASN 27 N -2.29 6.18 0.22 6.43 3.04 -0.93 -4.96 114.94 122.64 1kuk s ASN 27 Ca 0.14 -1.96 -0.07 0.00 0.04 0.00 0.00 52.86 51.00 1kuk s ASN 27 Cb -0.07 -2.17 0.32 0.00 -1.54 0.00 0.00 41.25 37.79 1kuk s ASN 27 CO 0.17 -0.78 1.78 0.15 -3.04 0.00 0.00 177.10 175.38 1kuk h PHE 28 N 8.62 0.62 -0.23 0.43 3.57 -1.91 -1.55 116.94 126.50 1kuk h PHE 28 Ca -0.22 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.33 1kuk h PHE 28 Cb 1.08 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1kuk h PHE 28 CO 0.76 0.23 0.08 0.87 -2.23 0.00 0.00 178.31 178.02 1kuk h LYS 29 N 0.59 0.18 -0.61 1.11 1.79 -1.98 0.87 116.57 118.52 1kuk h LYS 29 Ca 0.34 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1kuk h LYS 29 Cb 0.35 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1kuk h LYS 29 CO -0.26 0.12 0.34 -0.22 -1.08 0.00 0.00 179.45 178.35 1kuk h LYS 30 N 0.18 0.84 -0.36 3.15 3.64 -1.87 -0.75 116.57 121.41 1kuk h LYS 30 Ca 0.10 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1kuk h LYS 30 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1kuk h LYS 30 CO -0.10 0.63 0.13 0.82 -2.27 0.00 0.00 179.45 178.66 1kuk h ILE 31 N 0.83 1.19 -0.83 2.00 2.04 -0.83 -1.71 117.51 120.20 1kuk h ILE 31 Ca 0.22 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1kuk h ILE 31 Cb 0.02 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1kuk h ILE 31 CO -0.04 0.21 0.43 -0.09 0.00 0.00 0.00 178.15 178.67 1kuk h ARG 32 N 0.43 1.17 -0.52 2.37 2.43 -0.53 0.08 114.38 119.81 1kuk h ARG 32 Ca 0.12 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1kuk h ARG 32 Cb 0.20 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1kuk h ARG 32 CO -0.01 0.88 0.27 -0.22 -1.51 0.00 0.00 179.97 179.38 1kuk h LYS 33 N 1.16 0.73 -0.37 0.20 3.64 -1.00 -0.38 116.57 120.56 1kuk h LYS 33 Ca 0.29 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1kuk h LYS 33 Cb 0.07 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1kuk h LYS 33 CO -0.04 0.58 0.15 -0.09 -2.27 0.00 0.00 179.45 177.78 1kuk h ARG 34 N 0.69 0.55 -0.60 1.90 2.43 -0.74 -1.12 114.38 117.49 1kuk h ARG 34 Ca 0.18 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1kuk h ARG 34 Cb 0.07 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1kuk h ARG 34 CO -0.03 0.53 0.35 0.28 -1.51 0.00 0.00 179.97 179.59 1kuk h VAL 35 N 0.45 1.19 -0.92 0.20 2.07 -0.74 -1.32 116.25 117.19 1kuk h VAL 35 Ca 0.12 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1kuk h VAL 35 Cb 0.18 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1kuk h VAL 35 CO -0.01 0.20 0.58 0.45 0.02 0.00 0.00 177.57 178.81 1kuk h HIS 36 N 0.82 1.18 -0.38 1.57 3.86 -0.87 -0.52 115.15 120.82 1kuk h HIS 36 Ca 0.21 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1kuk h HIS 36 Cb 0.01 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 1kuk h HIS 36 CO -0.02 0.76 0.03 0.37 0.86 0.00 0.00 177.93 179.94 1kuk h GLN 37 N 1.26 0.58 -0.15 2.45 4.15 -0.69 0.30 115.11 123.01 1kuk h GLN 37 Ca 0.33 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 1kuk h GLN 37 Cb -0.10 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1kuk h GLN 37 CO -0.07 0.58 0.04 0.52 -1.93 0.00 0.00 178.83 177.97 1kuk h MET 38 N 0.56 0.24 -0.87 1.69 2.86 -0.63 -2.35 114.93 116.43 1kuk h MET 38 Ca 0.12 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1kuk h MET 38 Cb 0.31 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1kuk h MET 38 CO 0.01 0.39 0.53 0.28 1.06 0.00 0.00 176.91 179.19 1kuk h VAL 39 N 0.04 1.24 -0.69 -2.22 2.07 -0.57 -0.01 116.25 116.11 1kuk h VAL 39 Ca 0.05 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1kuk h VAL 39 Cb 0.26 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1kuk h VAL 39 CO 0.00 0.25 0.46 0.28 0.02 0.00 0.00 177.57 178.58 1kuk h SER 40 N 1.20 0.78 -0.22 0.57 0.02 -0.84 0.19 113.55 115.25 1kuk h SER 40 Ca 0.31 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.08 1kuk h SER 40 Cb -0.06 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1kuk h SER 40 CO -0.06 0.56 -0.50 0.78 -1.14 0.00 0.00 176.83 176.47 1kuk h ASN 41 N 0.92 0.83 -0.67 3.07 2.35 -0.70 -1.70 115.58 119.67 1kuk h ASN 41 Ca 0.26 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1kuk h ASN 41 Cb -0.09 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 1kuk h ASN 41 CO -0.06 1.23 0.43 0.40 -1.65 0.00 0.00 177.43 177.79 1kuk h ILE 42 N 0.45 1.18 -0.62 2.81 2.04 -0.37 -0.71 117.51 122.30 1kuk h ILE 42 Ca 0.00 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1kuk h ILE 42 Cb 1.11 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1kuk h ILE 42 CO 0.11 0.18 0.39 -1.13 0.00 0.00 0.00 178.15 177.70 1kuk h ASN 43 N 0.91 0.66 -0.52 1.72 -1.24 -0.57 -1.27 115.58 115.28 1kuk h ASN 43 Ca 0.25 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 1kuk h ASN 43 Cb -0.08 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 1kuk h ASN 43 CO -0.05 0.47 0.28 -0.08 -1.29 0.00 0.00 177.43 176.75 1kuk h GLU 44 N 0.78 0.73 0.00 6.67 4.57 -0.84 -2.32 114.58 124.16 1kuk h GLU 44 Ca 0.24 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1kuk h GLU 44 Cb -0.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1kuk h GLU 44 CO -0.08 0.57 -0.27 0.52 -1.18 0.00 0.00 179.01 178.58 1kuk h MET 45 N 0.69 0.00 -0.01 1.92 2.86 -0.73 -2.52 114.93 117.14 1kuk h MET 45 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1kuk h MET 45 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1kuk h MET 45 CO -0.03 0.27 -0.18 0.00 1.06 0.00 0.00 176.91 178.03 1kuk h ARG 47 N 1.19 0.60 0.00 0.00 2.43 -0.97 -0.07 114.38 117.57 1kuk h ARG 47 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1kuk h ARG 47 Cb 0.46 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1kuk h ARG 47 CO 0.00 0.40 0.00 -2.30 -1.51 0.00 0.00 179.97 176.56 1kuk n PRO 48 N -4.86 0.02 0.00 0.20 -0.02 -1.26 -1.52 135.00 127.57 1kuk n PRO 48 Ca 0.12 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 1kuk n PRO 48 Cb 0.29 -1.54 0.26 0.00 -0.02 0.00 0.00 33.50 32.48 1kuk n PRO 48 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1kuk n LEU 49 N -1.59 2.07 -3.44 2.45 4.77 -0.07 -4.79 117.00 116.40 1kuk n LEU 49 Ca 0.03 -0.69 -0.21 0.00 -0.03 0.00 0.00 56.01 55.11 1kuk n LEU 49 Cb 0.18 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1kuk n LEU 49 CO 0.15 0.36 0.20 -3.20 -1.33 0.00 0.00 177.39 173.57 1kuk n ASN 50 N 0.45 -5.07 -4.18 -1.43 5.15 -0.58 -4.71 115.26 104.89 1kuk n ASN 50 Ca 0.14 -0.54 -0.34 0.00 -0.60 0.00 0.00 54.58 53.25 1kuk n ASN 50 Cb 0.46 -4.90 -0.15 0.00 -0.53 0.00 0.00 39.78 34.66 1kuk n ASN 50 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1kuk s ILE 51 N -3.32 2.46 -0.17 -1.44 1.01 -1.14 -1.94 121.20 116.66 1kuk s ILE 51 Ca 0.41 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 1kuk s ILE 51 Cb -0.18 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1kuk s ILE 51 CO 0.70 0.51 0.73 0.00 0.00 0.00 0.00 174.94 176.88 1kuk s ALA 52 N 1.30 3.51 -0.21 9.38 0.00 -0.30 -4.45 121.76 130.99 1kuk s ALA 52 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1kuk s ALA 52 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1kuk s ALA 52 CO -0.09 -0.55 0.06 0.42 0.00 0.00 0.00 175.76 175.60 1kuk s ILE 53 N 1.89 4.55 0.14 0.00 -1.09 -1.26 -1.25 121.20 124.18 1kuk s ILE 53 Ca 0.34 -0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.72 1kuk s ILE 53 Cb -0.16 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1kuk s ILE 53 CO 0.12 0.41 -0.15 0.42 -1.23 0.00 0.00 174.94 174.51 1kuk s THR 54 N 0.86 1.47 -0.55 2.92 -4.23 -0.73 -4.82 115.64 110.56 1kuk s THR 54 Ca 0.03 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.57 1kuk s THR 54 Cb -0.14 -1.64 0.10 0.00 1.34 0.00 0.00 72.50 72.16 1kuk s THR 54 CO 0.02 -0.41 0.58 -0.22 -0.54 0.00 0.00 174.62 174.06 1kuk s LEU 55 N -2.57 5.61 0.15 4.79 2.96 -1.26 -0.05 118.68 128.32 1kuk s LEU 55 Ca 0.11 -1.45 0.03 0.00 -0.22 0.00 0.00 54.13 52.60 1kuk s LEU 55 Cb -0.05 -2.28 -0.07 0.00 0.50 0.00 0.00 46.19 44.29 1kuk s LEU 55 CO 0.04 -0.93 1.33 0.00 -1.32 0.00 0.00 176.35 175.47 1kuk h ALA 56 N 9.00 0.45 -2.36 5.97 0.00 -0.94 -3.47 119.26 127.91 1kuk h ALA 56 Ca -0.29 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 53.77 1kuk h ALA 56 Cb 1.10 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 18.57 1kuk h ALA 56 CO 1.03 1.00 -0.08 -1.17 0.00 0.00 0.00 179.25 180.02 1kuk s LEU 57 N -7.22 -0.28 -0.14 0.00 2.96 -1.05 -5.01 118.68 107.94 1kuk s LEU 57 Ca -0.02 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 1kuk s LEU 57 Cb 0.10 1.91 0.01 0.00 0.50 0.00 0.00 46.19 48.71 1kuk s LEU 57 CO 0.83 -0.20 -0.19 -0.22 -1.32 0.00 0.00 176.35 175.25 1kuk s LEU 58 N 0.73 1.95 -0.16 -0.68 2.96 -1.26 -1.19 118.68 121.03 1kuk s LEU 58 Ca -0.03 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1kuk s LEU 58 Cb -0.05 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.35 1kuk s LEU 58 CO -0.05 0.04 -0.16 -0.62 -1.32 0.00 0.00 176.35 174.23 1kuk s ASP 59 N 0.98 2.85 -0.23 3.68 2.15 -0.38 -4.99 116.67 120.72 1kuk s ASP 59 Ca -0.04 -0.55 -0.05 0.00 0.43 0.00 0.00 52.55 52.34 1kuk s ASP 59 Cb -0.15 -1.29 -0.02 0.00 -0.30 0.00 0.00 42.92 41.17 1kuk s ASP 59 CO -0.04 -0.04 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.24 1kuk s VAL 60 N 1.41 3.72 -1.29 1.11 1.01 -1.26 -0.62 120.40 124.48 1kuk s VAL 60 Ca 0.05 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1kuk s VAL 60 Cb -0.13 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.63 1kuk s VAL 60 CO -0.12 0.39 1.70 0.79 0.00 0.00 0.00 175.10 177.87 1kuk n TRP 61 N 4.84 4.70 0.67 5.22 8.01 0.14 -4.77 117.44 136.26 1kuk n TRP 61 Ca -0.17 -2.92 0.12 0.00 -1.31 0.00 0.00 57.50 53.21 1kuk n TRP 61 Cb 0.51 -2.57 0.47 0.00 -2.01 0.00 0.00 31.31 27.71 1kuk n TRP 61 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1kuk n SER 62 N 7.95 0.38 -0.08 -0.99 3.41 -1.26 -3.60 113.62 119.42 1kuk n SER 62 Ca 0.47 0.56 -0.17 0.00 -0.26 0.00 0.00 58.87 59.47 1kuk n SER 62 Cb 0.45 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 1kuk n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kuk n GLU 63 N -1.87 0.33 -3.58 4.33 1.02 -1.26 -5.07 120.64 114.54 1kuk n GLU 63 Ca 0.05 0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 57.25 1kuk n GLU 63 Cb 0.31 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 1kuk n GLU 63 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1kuk s LYS 64 N -2.29 1.21 0.20 3.49 -2.85 -1.26 -5.07 119.74 113.17 1kuk s LYS 64 Ca -0.22 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 53.91 1kuk s LYS 64 Cb 0.08 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.27 1kuk s LYS 64 CO 0.27 -0.54 1.07 -0.51 0.10 0.00 0.00 175.35 175.74 1kuk s ASP 65 N -2.73 7.33 0.00 0.03 -0.00 -1.26 -4.75 116.67 115.28 1kuk s ASP 65 Ca 0.06 2.08 0.25 0.00 -0.00 0.00 0.00 52.55 54.94 1kuk s ASP 65 Cb -0.02 -2.61 0.58 0.00 -0.00 0.00 0.00 42.92 40.87 1kuk s ASP 65 CO -0.06 -0.15 1.45 0.49 -0.00 0.00 0.00 175.17 176.90 1kuk n PHE 66 N 2.11 0.00 -4.17 4.23 3.01 -1.26 -4.87 117.46 116.50 1kuk n PHE 66 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.37 1kuk n PHE 66 Cb 0.46 -0.14 -0.10 0.00 -0.01 0.00 0.00 39.48 39.69 1kuk n PHE 66 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1kuk s ILE 67 N -2.66 0.28 -0.73 4.37 -4.36 -1.26 -5.08 121.20 111.77 1kuk s ILE 67 Ca 0.19 -1.92 -0.25 0.00 -0.26 0.00 0.00 60.65 58.41 1kuk s ILE 67 Cb 0.18 -2.03 0.04 0.00 1.25 0.00 0.00 42.46 41.91 1kuk s ILE 67 CO 0.59 -0.51 1.19 -0.89 0.24 0.00 0.00 174.94 175.56 1kuk s THR 68 N -3.92 3.92 -0.88 8.37 2.01 -1.26 -4.95 115.64 118.93 1kuk s THR 68 Ca 0.23 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 62.10 1kuk s THR 68 Cb 0.07 -4.85 0.05 0.00 0.01 0.00 0.00 72.50 67.78 1kuk s THR 68 CO 0.02 -1.74 1.34 -0.69 -0.69 0.00 0.00 174.62 172.86 1kuk s VAL 69 N 5.18 3.90 0.56 3.82 1.01 -1.26 -4.79 120.40 128.82 1kuk s VAL 69 Ca 0.31 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1kuk s VAL 69 Cb -0.10 -4.97 0.06 0.00 0.00 0.00 0.00 36.38 31.37 1kuk s VAL 69 CO 0.13 -1.86 0.56 0.00 0.00 0.00 0.00 175.10 173.93 1kuk s GLN 70 N 5.13 2.26 0.28 2.72 -2.07 -1.26 -4.99 119.66 121.72 1kuk s GLN 70 Ca 0.39 -1.90 -0.01 0.00 -1.82 0.00 0.00 55.36 52.02 1kuk s GLN 70 Cb -0.05 -2.30 0.39 0.00 -1.09 0.00 0.00 33.01 29.96 1kuk s GLN 70 CO 0.02 -0.74 1.82 0.00 -1.32 0.00 0.00 175.29 175.06 1kuk h ALA 71 N 0.50 1.20 -1.91 2.60 0.00 -1.93 -3.40 119.26 116.32 1kuk h ALA 71 Ca -0.34 -0.21 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 1kuk h ALA 71 Cb 1.30 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1kuk h ALA 71 CO 0.51 0.55 0.95 0.34 0.00 0.00 0.00 179.25 181.59 1kuk s ASP 72 N -6.59 6.69 0.14 0.00 2.15 -1.26 -0.50 116.67 117.30 1kuk s ASP 72 Ca -0.10 1.04 -0.15 0.00 0.43 0.00 0.00 52.55 53.77 1kuk s ASP 72 Cb 0.15 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.24 1kuk s ASP 72 CO 0.80 -1.10 1.69 0.00 -0.17 0.00 0.00 175.17 176.39 1kuk h ALA 73 N 9.17 0.58 -0.96 3.66 0.00 -1.89 -1.25 119.26 128.57 1kuk h ALA 73 Ca -0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1kuk h ALA 73 Cb 1.09 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1kuk h ALA 73 CO 1.05 0.19 0.61 -1.35 0.00 0.00 0.00 179.25 179.75 1kuk h PRO 74 N 0.57 1.27 -0.39 0.00 0.11 -1.96 0.14 132.00 131.74 1kuk h PRO 74 Ca 0.15 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1kuk h PRO 74 Cb 0.20 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 1kuk h PRO 74 CO -0.01 0.86 0.14 1.15 -0.21 0.00 0.00 178.00 179.93 1kuk h THR 75 N 1.30 1.20 -0.96 -1.15 2.02 -1.89 -1.48 112.91 111.97 1kuk h THR 75 Ca 0.35 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1kuk h THR 75 Cb -0.12 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1kuk h THR 75 CO -0.07 0.23 0.63 0.74 0.37 0.00 0.00 175.52 177.42 1kuk h THR 76 N 0.49 1.20 -0.80 3.16 2.02 -0.75 -2.05 112.91 116.19 1kuk h THR 76 Ca 0.13 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1kuk h THR 76 Cb 0.22 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.44 1kuk h THR 76 CO -0.01 0.23 0.42 0.00 0.37 0.00 0.00 175.52 176.53 1kuk h ALA 77 N 1.37 1.03 -0.53 6.16 0.00 -0.34 0.60 119.26 127.56 1kuk h ALA 77 Ca 0.37 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1kuk h ALA 77 Cb -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1kuk h ALA 77 CO -0.10 0.56 0.03 0.78 0.00 0.00 0.00 179.25 180.53 1kuk h GLY 78 N 1.13 0.98 1.49 0.00 0.00 -0.90 0.17 103.07 105.94 1kuk h GLY 78 Ca 0.28 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1kuk h GLY 78 CO -0.04 0.64 -0.13 1.41 0.00 0.00 0.00 176.54 178.42 1kuk h LEU 79 N 0.79 0.60 -0.42 3.11 3.38 -1.10 -1.80 115.31 119.86 1kuk h LEU 79 Ca 0.15 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1kuk h LEU 79 Cb 0.48 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1kuk h LEU 79 CO 0.02 0.75 -0.52 0.15 0.09 0.00 0.00 178.44 178.94 1kuk h PHE 80 N 0.56 0.92 -0.58 1.13 3.57 -0.53 -1.91 116.94 120.09 1kuk h PHE 80 Ca 0.10 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 1kuk h PHE 80 Cb 0.55 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1kuk h PHE 80 CO 0.02 1.10 0.09 0.78 -2.23 0.00 0.00 178.31 178.07 1kuk h GLY 81 N 0.88 1.00 0.86 2.40 0.00 -0.42 0.21 103.07 107.99 1kuk h GLY 81 Ca 0.02 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1kuk h GLY 81 CO 0.11 0.58 0.03 -0.55 0.00 0.00 0.00 176.54 176.71 1kuk h ASP 82 N 0.88 0.11 -0.46 0.19 3.45 -1.16 -1.44 116.42 117.98 1kuk h ASP 82 Ca 0.18 -0.16 -0.07 0.00 0.43 0.00 0.00 57.03 57.41 1kuk h ASP 82 Cb 0.39 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.10 1kuk h ASP 82 CO 0.01 0.24 0.06 -0.25 -1.57 0.00 0.00 179.24 177.73 1kuk h TRP 83 N -0.03 0.88 -0.44 4.55 7.01 -1.13 -0.80 115.95 126.00 1kuk h TRP 83 Ca 0.03 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.92 1kuk h TRP 83 Cb 0.17 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1kuk h TRP 83 CO -0.02 0.78 0.28 -0.09 -2.79 0.00 0.00 178.44 176.60 1kuk h ARG 84 N 0.80 0.58 -0.22 2.65 1.12 -0.38 0.35 114.38 119.29 1kuk h ARG 84 Ca 0.16 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.93 1kuk h ARG 84 Cb 0.39 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 1kuk h ARG 84 CO 0.01 0.41 -0.09 1.49 -3.11 0.00 0.00 179.97 178.68 1kuk h GLU 85 N 0.58 0.45 0.00 0.20 4.81 -1.02 0.10 114.58 119.71 1kuk h GLU 85 Ca 0.16 -0.19 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1kuk h GLU 85 Cb -0.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1kuk h GLU 85 CO -0.03 0.72 -0.81 0.00 -0.73 0.00 0.00 179.01 178.17 1kuk h ARG 86 N 0.17 0.00 0.00 1.92 3.08 -1.01 -3.40 114.38 115.14 1kuk h ARG 86 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1kuk h ARG 86 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1kuk h ARG 86 CO 0.03 0.81 -0.30 0.28 -1.07 0.00 0.00 179.97 179.71 1kuk n VAL 87 N -3.31 0.79 -0.26 2.04 0.31 0.12 -4.72 118.33 113.31 1kuk n VAL 87 Ca 0.01 0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.55 1kuk n VAL 87 Cb 0.86 -1.50 0.06 0.00 -0.91 0.00 0.00 33.84 32.35 1kuk n VAL 87 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1kuk h LEU 88 N 0.00 0.83 -1.94 7.52 5.85 -1.19 -2.09 115.31 124.29 1kuk h LEU 88 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1kuk h LEU 88 Cb 0.30 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1kuk h LEU 88 CO 0.00 0.62 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.57 1kuk h LEU 89 N 0.97 0.00 -0.28 2.25 3.38 -1.00 -1.59 115.31 119.04 1kuk h LEU 89 Ca 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1kuk h LEU 89 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1kuk h LEU 89 CO -0.05 0.07 -0.32 0.11 0.09 0.00 0.00 178.44 178.34 1kuk h LYS 90 N 0.00 0.00 0.09 1.13 1.79 -1.62 -3.29 116.57 114.67 1kuk h LYS 90 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1kuk h LYS 90 Cb 0.35 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1kuk h LYS 90 CO 0.01 0.32 -0.93 0.87 -1.08 0.00 0.00 179.45 178.63 1kuk h LYS 91 N 0.00 0.47 -1.85 3.15 1.57 -1.12 -3.47 116.57 115.32 1kuk h LYS 91 Ca -0.00 -0.63 0.03 0.00 -1.87 0.00 0.00 60.65 58.18 1kuk h LYS 91 Cb 1.14 0.21 -0.23 0.00 0.08 0.00 0.00 32.23 33.43 1kuk h LYS 91 CO 0.04 1.26 0.19 0.21 -0.57 0.00 0.00 179.45 180.58 1kuk s LYS 92 N -2.89 0.65 0.46 3.15 2.20 -1.11 -5.15 119.74 117.06 1kuk s LYS 92 Ca -0.12 0.95 -0.23 0.00 -0.36 0.00 0.00 55.97 56.21 1kuk s LYS 92 Cb 0.04 0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 36.51 1kuk s LYS 92 CO 0.87 -0.11 1.21 1.21 -0.36 0.00 0.00 175.35 178.17 1kuk s ASN 93 N 0.99 6.07 0.18 1.43 2.47 -1.25 -4.45 114.94 120.38 1kuk s ASN 93 Ca -0.05 2.41 -0.24 0.00 0.42 0.00 0.00 52.86 55.40 1kuk s ASN 93 Cb -0.05 -2.61 0.05 0.00 -1.45 0.00 0.00 41.25 37.19 1kuk s ASN 93 CO -0.11 -0.99 0.83 -1.38 -3.72 0.00 0.00 177.10 171.73 1kuk s HIS 94 N -1.47 -0.22 -0.13 0.43 -3.43 -1.26 -4.96 115.29 104.24 1kuk s HIS 94 Ca 0.64 -0.12 0.19 0.00 -0.80 0.00 0.00 55.06 54.97 1kuk s HIS 94 Cb -0.31 0.65 -0.26 0.00 -1.43 0.00 0.00 32.58 31.23 1kuk s HIS 94 CO 0.38 -0.95 0.33 -0.25 -2.00 0.00 0.00 174.74 172.25 1kuk n ASP 95 N -0.43 0.17 -3.65 7.38 10.43 0.25 -4.98 116.55 125.72 1kuk n ASP 95 Ca -0.07 0.08 -0.14 0.00 2.57 0.00 0.00 54.79 57.23 1kuk n ASP 95 Cb 0.61 1.10 -0.08 0.00 1.84 0.00 0.00 41.12 44.59 1kuk n ASP 95 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1kuk s HIS 96 N -2.85 -0.67 -0.01 1.24 5.04 -1.17 -3.40 115.29 113.48 1kuk s HIS 96 Ca -0.08 1.59 0.05 0.00 -1.54 0.00 0.00 55.06 55.08 1kuk s HIS 96 Cb 0.09 0.24 -0.01 0.00 0.04 0.00 0.00 32.58 32.94 1kuk s HIS 96 CO 0.85 -0.35 -0.16 0.00 -2.34 0.00 0.00 174.74 172.73 1kuk s ALA 97 N 0.16 1.35 -0.03 1.58 0.00 -0.60 -0.84 121.76 123.38 1kuk s ALA 97 Ca -0.01 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1kuk s ALA 97 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1kuk s ALA 97 CO 0.02 0.32 -0.21 -0.65 0.00 0.00 0.00 175.76 175.24 1kuk s GLN 98 N -0.48 1.86 -0.24 0.00 -0.21 -0.52 -1.97 119.66 118.11 1kuk s GLN 98 Ca 0.06 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 54.58 1kuk s GLN 98 Cb -0.06 -1.71 -0.05 0.00 1.00 0.00 0.00 33.01 32.19 1kuk s GLN 98 CO -0.00 0.39 0.19 -1.17 -2.12 0.00 0.00 175.29 172.58 1kuk s LEU 99 N -0.31 4.11 -0.15 2.90 2.96 -0.56 -0.75 118.68 126.88 1kuk s LEU 99 Ca 0.03 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1kuk s LEU 99 Cb -0.10 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1kuk s LEU 99 CO 0.01 0.03 0.08 -0.76 -1.32 0.00 0.00 176.35 174.39 1kuk s LEU 100 N 1.16 3.96 0.12 -0.68 1.43 0.51 -0.68 118.68 124.50 1kuk s LEU 100 Ca 0.09 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1kuk s LEU 100 Cb -0.14 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1kuk s LEU 100 CO 0.05 0.27 0.27 0.28 0.23 0.00 0.00 176.35 177.46 1kuk s THR 101 N -0.22 0.11 -2.00 5.49 -1.32 -0.65 -1.78 115.64 115.27 1kuk s THR 101 Ca 0.08 -1.06 0.23 0.00 -1.21 0.00 0.00 61.69 59.73 1kuk s THR 101 Cb -0.12 -1.40 0.64 0.00 -1.51 0.00 0.00 72.50 70.11 1kuk s THR 101 CO 0.01 -0.48 1.53 -0.90 -2.21 0.00 0.00 174.62 172.57 1kuk n ASP 102 N -0.14 3.94 -4.75 8.08 5.75 -1.26 -0.39 116.55 127.79 1kuk n ASP 102 Ca -0.14 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.23 1kuk n ASP 102 Cb 0.63 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 1kuk n ASP 102 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1kuk n THR 103 N 1.65 1.29 -2.77 2.12 -1.04 -1.26 -4.88 114.28 109.38 1kuk n THR 103 Ca 0.24 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 1kuk n THR 103 Cb 0.62 -1.92 -0.01 0.00 -1.82 0.00 0.00 70.33 67.20 1kuk n THR 103 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1kuk s ASN 104 N 0.30 6.84 0.55 8.00 3.04 -1.26 -4.89 114.94 127.52 1kuk s ASN 104 Ca 0.61 -2.44 -0.21 0.00 0.04 0.00 0.00 52.86 50.86 1kuk s ASN 104 Cb -0.50 -2.48 -0.05 0.00 -1.54 0.00 0.00 41.25 36.68 1kuk s ASN 104 CO 0.53 -1.04 1.30 0.49 -3.04 0.00 0.00 177.10 175.33 1kuk n PHE 105 N 7.13 2.07 -1.16 0.43 0.99 -1.26 -4.81 117.46 120.85 1kuk n PHE 105 Ca 0.38 0.44 -0.33 0.00 -0.00 0.00 0.00 57.45 57.94 1kuk n PHE 105 Cb 0.46 -2.33 0.12 0.00 -1.00 0.00 0.00 39.48 36.73 1kuk n PHE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1kuk s ALA 106 N -1.31 1.90 -1.74 4.37 0.00 0.34 -3.46 121.76 121.86 1kuk s ALA 106 Ca 0.72 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1kuk s ALA 106 Cb -0.42 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1kuk s ALA 106 CO 0.49 -2.19 0.00 0.54 0.00 0.00 0.00 175.76 174.60 1kuk n ARG 107 N -3.32 -1.53 -3.41 0.00 1.74 -1.26 -2.15 116.66 106.74 1kuk n ARG 107 Ca 0.13 0.99 -0.25 0.00 -0.77 0.00 0.00 57.85 57.95 1kuk n ARG 107 Cb 0.51 -5.53 0.04 0.00 -1.02 0.00 0.00 32.46 26.46 1kuk n ARG 107 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1kuk n ASN 108 N -1.64 -5.55 -4.73 0.55 5.15 -1.22 -4.94 115.26 102.88 1kuk n ASN 108 Ca -0.23 -0.47 -0.41 0.00 -0.60 0.00 0.00 54.58 52.88 1kuk n ASN 108 Cb 0.67 -4.45 -0.04 0.00 -0.53 0.00 0.00 39.78 35.43 1kuk n ASN 108 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1kuk s THR 109 N -3.20 4.80 -0.50 -0.44 2.01 -0.91 -4.94 115.64 112.46 1kuk s THR 109 Ca 0.47 1.76 0.09 0.00 0.31 0.00 0.00 61.69 64.31 1kuk s THR 109 Cb -0.22 -4.18 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 1kuk s THR 109 CO 0.58 0.28 0.42 2.30 -0.69 0.00 0.00 174.62 177.51 1kuk n ILE 110 N 3.29 0.00 -3.56 1.82 -5.35 -1.26 -4.25 119.36 110.05 1kuk n ILE 110 Ca 0.01 -0.31 -0.07 0.00 -0.27 0.00 0.00 62.75 62.11 1kuk n ILE 110 Cb 0.50 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.40 1kuk n ILE 110 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1kuk s GLY 111 N -1.76 -0.34 -0.21 3.28 0.00 -1.26 -0.87 107.32 106.16 1kuk s GLY 111 Ca 0.04 1.50 -0.27 0.00 0.00 0.00 0.00 44.72 45.99 1kuk s GLY 111 CO 0.35 0.58 0.85 0.86 0.00 0.00 0.00 173.10 175.73 1kuk s TRP 112 N -2.38 -0.61 0.17 1.90 -0.00 -0.35 -5.00 118.94 112.68 1kuk s TRP 112 Ca 0.05 1.34 -0.18 0.00 -0.00 0.00 0.00 56.10 57.31 1kuk s TRP 112 Cb -0.01 0.35 0.04 0.00 -0.00 0.00 0.00 33.47 33.85 1kuk s TRP 112 CO -0.05 -0.38 0.50 0.00 -0.00 0.00 0.00 176.95 177.02 1kuk s ALA 113 N -0.23 -1.04 0.32 5.86 0.00 -1.26 -1.01 121.76 124.40 1kuk s ALA 113 Ca -0.02 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.62 1kuk s ALA 113 Cb -0.03 0.81 -0.10 0.00 0.00 0.00 0.00 23.12 23.81 1kuk s ALA 113 CO 0.01 -0.75 0.98 0.71 0.00 0.00 0.00 175.76 176.71 1kuk s TYR 114 N -3.83 3.63 -0.13 0.00 2.02 -1.24 -4.92 117.35 112.87 1kuk s TYR 114 Ca 0.06 1.76 -0.25 0.00 -0.37 0.00 0.00 57.07 58.28 1kuk s TYR 114 Cb -0.00 -3.01 -0.02 0.00 -0.40 0.00 0.00 41.96 38.52 1kuk s TYR 114 CO -0.07 -0.01 0.78 0.08 -1.57 0.00 0.00 175.55 174.77 1kuk s VAL 115 N -1.52 4.94 -1.24 0.71 1.01 -1.26 -3.38 120.40 119.66 1kuk s VAL 115 Ca 0.50 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1kuk s VAL 115 Cb -0.22 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1kuk s VAL 115 CO 0.27 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1kuk n GLY 116 N 3.36 0.71 1.28 4.51 0.00 0.30 -4.86 105.19 110.48 1kuk n GLY 116 Ca 0.02 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1kuk n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kuk n ARG 117 N -2.46 3.37 -1.59 1.61 5.12 -0.89 -4.76 116.66 117.07 1kuk n ARG 117 Ca -0.14 -2.98 -0.49 0.00 -1.93 0.00 0.00 57.85 52.31 1kuk n ARG 117 Cb 0.50 -1.99 -0.04 0.00 -1.16 0.00 0.00 32.46 29.77 1kuk n ARG 117 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1kuk n MET 118 N -0.28 1.22 0.00 5.56 0.00 -0.57 -1.35 117.12 121.71 1kuk n MET 118 Ca 0.26 0.44 0.00 0.00 -0.00 0.00 0.00 57.70 58.40 1kuk n MET 118 Cb 1.04 -1.96 0.00 0.00 0.00 0.00 0.00 33.22 32.30 1kuk n MET 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kuk s ASP 120 N -1.22 6.37 0.40 0.00 -1.08 -0.46 -4.87 116.67 115.81 1kuk s ASP 120 Ca 0.00 2.96 0.08 0.00 -0.52 0.00 0.00 52.55 55.07 1kuk s ASP 120 Cb 0.00 -2.64 0.85 0.00 -1.46 0.00 0.00 42.92 39.67 1kuk s ASP 120 CO 0.00 -0.91 2.00 -0.33 0.52 0.00 0.00 175.17 176.46 1kuk h GLU 121 N 4.61 0.58 0.00 4.34 5.08 -1.95 -2.09 114.58 125.15 1kuk h GLU 121 Ca -0.47 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 57.53 1kuk h GLU 121 Cb 1.22 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1kuk h GLU 121 CO 0.77 0.39 -2.22 1.17 -1.00 0.00 0.00 179.01 178.12 1kuk n LYS 122 N -4.47 0.94 -0.04 2.33 4.81 -1.26 -3.99 118.16 116.48 1kuk n LYS 122 Ca 0.08 0.04 0.12 0.00 -0.87 0.00 0.00 58.31 57.68 1kuk n LYS 122 Cb 0.19 -1.45 0.15 0.00 0.02 0.00 0.00 35.03 33.94 1kuk n LYS 122 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1kuk n TYR 123 N -2.83 0.11 -2.03 5.64 4.02 -1.21 -4.37 117.16 116.49 1kuk n TYR 123 Ca -0.32 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.90 57.10 1kuk n TYR 123 Cb 1.01 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.33 1kuk n TYR 123 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kuk n SER 124 N 1.32 6.07 -3.93 7.72 2.88 -0.79 -4.54 113.62 122.35 1kuk n SER 124 Ca 0.15 -3.02 -0.09 0.00 -1.33 0.00 0.00 58.87 54.59 1kuk n SER 124 Cb 0.59 -1.48 -0.08 0.00 -0.75 0.00 0.00 64.21 62.49 1kuk n SER 124 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1kuk s VAL 125 N 0.62 0.11 0.06 2.46 -7.23 -1.26 -1.56 120.40 113.61 1kuk s VAL 125 Ca 0.48 -1.36 -0.09 0.00 -1.81 0.00 0.00 61.98 59.20 1kuk s VAL 125 Cb 0.14 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1kuk s VAL 125 CO -0.04 -0.52 0.19 0.00 -0.31 0.00 0.00 175.10 174.42 1kuk s ALA 126 N -3.92 -0.28 -0.06 1.32 0.00 -0.83 -3.68 121.76 114.31 1kuk s ALA 126 Ca 0.11 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1kuk s ALA 126 Cb 0.05 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 1kuk s ALA 126 CO -0.06 -0.43 -0.20 0.14 0.00 0.00 0.00 175.76 175.21 1kuk s VAL 127 N -3.20 1.69 -0.03 0.00 -7.23 -0.18 -1.49 120.40 109.96 1kuk s VAL 127 Ca -0.00 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1kuk s VAL 127 Cb 0.02 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.52 1kuk s VAL 127 CO -0.07 0.48 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.47 1kuk s VAL 128 N 0.15 0.39 0.05 1.32 1.01 0.14 -1.21 120.40 122.26 1kuk s VAL 128 Ca -0.09 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 1kuk s VAL 128 Cb -0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 1kuk s VAL 128 CO 0.04 0.17 0.78 -0.75 0.00 0.00 0.00 175.10 175.35 1kuk s LYS 129 N 0.72 4.51 -1.35 2.72 2.20 -0.05 -1.63 119.74 126.85 1kuk s LYS 129 Ca -0.08 1.09 -0.17 0.00 -0.36 0.00 0.00 55.97 56.45 1kuk s LYS 129 Cb -0.12 -3.36 0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1kuk s LYS 129 CO -0.00 0.29 1.93 -3.47 -0.36 0.00 0.00 175.35 173.73 1kuk n ASP 130 N 2.77 4.47 -1.00 1.43 4.64 0.48 -4.75 116.55 124.59 1kuk n ASP 130 Ca -0.02 -2.88 0.08 0.00 -1.38 0.00 0.00 54.79 50.58 1kuk n ASP 130 Cb 0.50 -1.71 0.23 0.00 -1.04 0.00 0.00 41.12 39.10 1kuk n ASP 130 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kuk n HIS 131 N 7.64 0.78 -3.62 -0.67 1.44 -1.26 -4.89 115.22 114.64 1kuk n HIS 131 Ca 0.50 -0.36 -0.16 0.00 -2.01 0.00 0.00 57.72 55.69 1kuk n HIS 131 Cb 0.43 -0.06 -0.07 0.00 0.12 0.00 0.00 29.99 30.42 1kuk n HIS 131 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1kuk s SER 132 N -0.93 -0.47 0.43 4.39 0.15 -1.26 -5.00 113.70 111.01 1kuk s SER 132 Ca 0.34 0.46 0.23 0.00 0.70 0.00 0.00 55.95 57.69 1kuk s SER 132 Cb 0.19 0.45 0.80 0.00 -1.71 0.00 0.00 66.02 65.75 1kuk s SER 132 CO 0.21 -0.54 1.77 0.77 1.20 0.00 0.00 173.24 176.65 1kuk h SER 133 N 3.39 0.00 -3.06 5.45 4.64 -2.03 -3.43 113.55 118.51 1kuk h SER 133 Ca -0.28 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.47 1kuk h SER 133 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1kuk h SER 133 CO 0.39 0.23 1.05 -0.54 -0.87 0.00 0.00 176.83 177.09 1kuk s LYS 134 N -3.53 3.78 0.24 4.77 1.02 -1.26 -4.91 119.74 119.85 1kuk s LYS 134 Ca 0.02 1.28 -0.05 0.00 0.02 0.00 0.00 55.97 57.23 1kuk s LYS 134 Cb 0.09 -3.97 0.40 0.00 -0.52 0.00 0.00 37.83 33.83 1kuk s LYS 134 CO 0.65 -1.30 1.76 0.28 -0.92 0.00 0.00 175.35 175.82 1kuk h VAL 135 N 6.16 0.78 -0.98 3.17 2.07 -2.00 -2.10 116.25 123.36 1kuk h VAL 135 Ca -0.29 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1kuk h VAL 135 Cb 1.12 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1kuk h VAL 135 CO 1.04 0.10 0.64 0.15 0.02 0.00 0.00 177.57 179.52 1kuk h PHE 136 N 0.56 1.17 -0.30 1.57 3.57 -1.95 0.05 116.94 121.61 1kuk h PHE 136 Ca 0.38 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 1kuk h PHE 136 Cb 0.48 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1kuk h PHE 136 CO -0.12 0.64 0.03 0.52 -2.23 0.00 0.00 178.31 177.15 1kuk h MET 137 N 1.18 0.45 0.08 1.11 2.86 -1.77 0.21 114.93 119.06 1kuk h MET 137 Ca 0.41 -0.08 -0.23 0.00 -2.06 0.00 0.00 59.70 57.74 1kuk h MET 137 Cb 0.10 -0.07 0.02 0.00 0.06 0.00 0.00 31.60 31.71 1kuk h MET 137 CO -0.14 0.45 -0.94 0.28 1.06 0.00 0.00 176.91 177.62 1kuk h VAL 138 N 0.44 1.38 -0.82 -2.22 2.07 -1.32 -3.04 116.25 112.74 1kuk h VAL 138 Ca 0.10 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 1kuk h VAL 138 Cb 0.24 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 1kuk h VAL 138 CO 0.00 0.69 0.48 0.00 0.02 0.00 0.00 177.57 178.76 1kuk h ALA 139 N 0.25 1.30 0.00 1.67 0.00 -0.57 -0.66 119.26 121.25 1kuk h ALA 139 Ca -0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1kuk h ALA 139 Cb 1.66 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1kuk h ALA 139 CO 0.18 0.59 -0.24 -0.24 0.00 0.00 0.00 179.25 179.54 1kuk h VAL 140 N 1.14 0.63 -0.17 0.00 3.04 -0.66 -0.53 116.25 119.69 1kuk h VAL 140 Ca 0.29 -1.13 -0.11 0.00 -1.01 0.00 0.00 66.70 64.75 1kuk h VAL 140 Cb -0.02 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1kuk h VAL 140 CO -0.05 0.24 -0.32 0.74 -1.01 0.00 0.00 177.57 177.17 1kuk h THR 141 N 0.00 1.35 -0.90 3.17 2.02 -1.13 0.22 112.91 117.64 1kuk h THR 141 Ca -0.00 -1.55 0.04 0.00 0.77 0.00 0.00 66.41 65.66 1kuk h THR 141 Cb 0.72 1.92 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 1kuk h THR 141 CO 0.03 0.47 0.59 0.24 0.37 0.00 0.00 175.52 177.22 1kuk h MET 142 N 0.17 1.07 -0.24 6.66 2.86 -0.85 -1.10 114.93 123.51 1kuk h MET 142 Ca 0.01 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 1kuk h MET 142 Cb 0.91 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1kuk h MET 142 CO 0.07 0.71 -0.57 1.15 1.06 0.00 0.00 176.91 179.33 1kuk h THR 143 N 1.11 1.29 -0.42 2.22 2.02 -0.91 -0.56 112.91 117.65 1kuk h THR 143 Ca 0.36 -1.78 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 1kuk h THR 143 Cb 0.04 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1kuk h THR 143 CO -0.11 0.57 0.26 -0.74 0.37 0.00 0.00 175.52 175.87 1kuk h HIS 144 N 0.57 0.56 -0.40 3.16 6.17 -0.54 0.13 115.15 124.80 1kuk h HIS 144 Ca 0.01 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.97 1kuk h HIS 144 Cb 1.16 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.89 1kuk h HIS 144 CO 0.06 0.39 -0.22 0.93 0.71 0.00 0.00 177.93 179.80 1kuk h GLU 145 N 0.56 0.80 -0.89 5.26 4.39 -1.04 -1.42 114.58 122.24 1kuk h GLU 145 Ca 0.15 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1kuk h GLU 145 Cb -0.01 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1kuk h GLU 145 CO -0.03 0.94 0.59 1.25 -1.16 0.00 0.00 179.01 180.60 1kuk h LEU 146 N 0.70 1.00 -0.41 1.33 5.85 -0.71 -1.02 115.31 122.05 1kuk h LEU 146 Ca 0.10 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1kuk h LEU 146 Cb 0.74 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1kuk h LEU 146 CO 0.06 0.71 0.25 1.23 -0.34 0.00 0.00 178.44 180.34 1kuk h GLY 147 N 1.17 0.59 0.79 3.75 0.00 -0.18 -0.70 103.07 108.49 1kuk h GLY 147 Ca 0.34 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1kuk h GLY 147 CO -0.09 0.24 0.54 0.45 0.00 0.00 0.00 176.54 177.68 1kuk h HIS 148 N 0.54 1.01 0.00 5.60 3.86 -0.75 -1.09 115.15 124.32 1kuk h HIS 148 Ca 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1kuk h HIS 148 Cb -0.00 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1kuk h HIS 148 CO -0.04 0.54 0.00 -0.97 0.86 0.00 0.00 177.93 178.33 1kuk h ASN 149 N 1.02 0.00 -0.35 2.45 -0.00 0.01 0.14 115.58 118.83 1kuk h ASN 149 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 1kuk h ASN 149 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.42 1kuk h ASN 149 CO -0.15 0.00 0.00 0.18 -0.00 0.00 0.00 177.43 177.46 1kuk n LEU 150 N -3.07 3.55 0.00 0.34 4.77 -0.39 -1.51 117.00 120.69 1kuk n LEU 150 Ca -0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1kuk n LEU 150 Cb 0.25 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1kuk n LEU 150 CO 0.25 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1kuk n GLY 151 N 0.51 0.59 3.82 -0.72 0.00 -0.17 -4.59 105.19 104.62 1kuk n GLY 151 Ca 0.16 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1kuk n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kuk s MET 152 N -0.51 4.13 0.57 1.61 -1.94 -0.52 -4.79 119.30 117.85 1kuk s MET 152 Ca 0.00 0.65 0.08 0.00 -1.71 0.00 0.00 55.69 54.71 1kuk s MET 152 Cb 0.00 -3.23 0.07 0.00 2.01 0.00 0.00 34.83 33.67 1kuk s MET 152 CO 0.00 0.65 0.63 -1.21 -0.01 0.00 0.00 175.02 175.08 1kuk s GLU 153 N -1.09 2.27 0.59 2.03 0.41 -1.26 -4.10 118.70 117.54 1kuk s GLU 153 Ca 0.28 -1.83 -0.18 0.00 -0.41 0.00 0.00 54.97 52.83 1kuk s GLU 153 Cb -0.19 -2.40 -0.04 0.00 -1.78 0.00 0.00 34.13 29.72 1kuk s GLU 153 CO 0.18 -0.78 1.15 -1.01 -0.49 0.00 0.00 175.26 174.31 1kuk s HIS 154 N -2.73 2.55 0.50 1.61 3.76 -1.26 -4.88 115.29 114.85 1kuk s HIS 154 Ca 0.49 1.54 -0.23 0.00 -0.15 0.00 0.00 55.06 56.72 1kuk s HIS 154 Cb -0.04 -3.34 -0.07 0.00 1.11 0.00 0.00 32.58 30.24 1kuk s HIS 154 CO 0.31 -1.84 1.26 -0.25 -0.85 0.00 0.00 174.74 173.38 1kuk n ASP 155 N -1.63 2.35 -3.94 1.40 8.00 0.11 -4.98 116.55 117.87 1kuk n ASP 155 Ca 0.12 1.01 -0.22 0.00 0.71 0.00 0.00 54.79 56.40 1kuk n ASP 155 Cb 0.51 -1.52 -0.17 0.00 -0.02 0.00 0.00 41.12 39.92 1kuk n ASP 155 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kuk s ASP 156 N -0.80 1.37 0.54 -2.24 -1.08 -1.26 -4.63 116.67 108.56 1kuk s ASP 156 Ca 0.68 -0.20 0.20 0.00 -0.52 0.00 0.00 52.55 52.71 1kuk s ASP 156 Cb -0.45 -0.62 1.40 0.00 -1.46 0.00 0.00 42.92 41.79 1kuk s ASP 156 CO 0.53 -0.03 2.15 0.11 0.52 0.00 0.00 175.17 178.44 1kuk h LYS 157 N 7.22 0.00 0.00 4.34 1.79 -1.94 -0.69 116.57 127.30 1kuk h LYS 157 Ca -0.34 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.03 1kuk h LYS 157 Cb 1.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1kuk h LYS 157 CO 0.46 0.00 -0.48 -0.44 -1.08 0.00 0.00 179.45 177.91 1kuk h ASP 158 N 0.00 0.00 0.46 0.86 3.32 -2.01 -3.27 116.42 115.78 1kuk h ASP 158 Ca 0.03 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.79 1kuk h ASP 158 Cb 0.15 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1kuk h ASP 158 CO -0.00 0.48 -1.72 0.11 -1.72 0.00 0.00 179.24 176.38 1kuk h LYS 159 N 0.00 0.03 -2.62 3.56 1.57 -1.61 -3.48 116.57 114.01 1kuk h LYS 159 Ca -0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1kuk h LYS 159 Cb 0.91 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 33.07 1kuk h LYS 159 CO 0.06 0.57 0.09 0.00 -0.57 0.00 0.00 179.45 179.61 1kuk n LYS 161 N 0.43 0.51 -1.73 0.00 4.76 -1.26 -3.86 118.16 117.01 1kuk n LYS 161 Ca -0.18 -0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 54.49 1kuk n LYS 161 Cb 0.60 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.28 1kuk n LYS 161 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kuk n ASP 163 N 3.01 0.17 -0.74 0.00 8.00 -1.26 -4.58 116.55 121.15 1kuk n ASP 163 Ca 0.12 0.07 0.05 0.00 0.71 0.00 0.00 54.79 55.74 1kuk n ASP 163 Cb 0.36 1.37 0.11 0.00 -0.02 0.00 0.00 41.12 42.94 1kuk n ASP 163 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1kuk n THR 164 N -2.51 1.15 -1.45 -3.53 -2.24 -1.26 -4.91 114.28 99.53 1kuk n THR 164 Ca -0.13 -1.88 -0.29 0.00 -2.27 0.00 0.00 64.05 59.48 1kuk n THR 164 Cb 0.77 0.24 0.12 0.00 -2.10 0.00 0.00 70.33 69.36 1kuk n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kuk h ILE 166 N -1.38 0.59 -0.37 0.00 2.04 -1.16 -0.57 117.51 116.65 1kuk h ILE 166 Ca -0.49 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1kuk h ILE 166 Cb 1.30 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1kuk h ILE 166 CO 0.59 0.09 0.11 0.23 0.00 0.00 0.00 178.15 179.17 1kuk n MET 167 N -4.99 2.61 -1.65 2.37 2.81 -1.26 -4.69 117.12 112.31 1kuk n MET 167 Ca 0.19 -1.63 -0.39 0.00 -1.81 0.00 0.00 57.70 54.05 1kuk n MET 167 Cb 0.53 -1.81 0.04 0.00 -0.71 0.00 0.00 33.22 31.27 1kuk n MET 167 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1kuk n SER 168 N 0.10 1.45 0.24 7.83 2.88 -0.22 -0.71 113.62 125.19 1kuk n SER 168 Ca 0.20 0.90 0.10 0.00 -1.33 0.00 0.00 58.87 58.74 1kuk n SER 168 Cb 0.87 -1.44 0.69 0.00 -0.75 0.00 0.00 64.21 63.58 1kuk n SER 168 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kuk h ALA 169 N 0.96 1.97 -3.84 -1.46 0.00 -1.91 -3.42 119.26 111.58 1kuk h ALA 169 Ca -0.48 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.13 1kuk h ALA 169 Cb 1.34 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.85 1kuk h ALA 169 CO 0.54 -0.06 -0.74 0.08 0.00 0.00 0.00 179.25 179.06 1kuk s VAL 170 N -5.00 0.27 0.71 0.00 1.01 -1.26 -5.11 120.40 111.02 1kuk s VAL 170 Ca -0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1kuk s VAL 170 Cb 0.17 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.34 1kuk s VAL 170 CO 0.66 0.07 1.09 -0.51 0.00 0.00 0.00 175.10 176.41 1kuk s ILE 171 N -0.09 3.42 0.18 2.22 2.07 -1.26 -5.06 121.20 122.68 1kuk s ILE 171 Ca 0.01 0.54 -0.08 0.00 -1.41 0.00 0.00 60.65 59.70 1kuk s ILE 171 Cb -0.01 -3.06 -0.01 0.00 0.13 0.00 0.00 42.46 39.50 1kuk s ILE 171 CO -0.00 -0.53 0.29 -0.94 -1.91 0.00 0.00 174.94 171.85 1kuk s SER 172 N -3.14 0.04 0.52 4.50 1.04 -1.26 -5.03 113.70 110.39 1kuk s SER 172 Ca 0.63 -0.95 0.19 0.00 0.48 0.00 0.00 55.95 56.30 1kuk s SER 172 Cb -0.18 0.45 1.32 0.00 0.10 0.00 0.00 66.02 67.71 1kuk s SER 172 CO 0.50 -0.92 2.11 0.44 0.98 0.00 0.00 173.24 176.35 1kuk h ASP 173 N 2.52 0.00 -0.43 7.02 5.19 -2.02 -1.34 116.42 127.35 1kuk h ASP 173 Ca -0.31 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1kuk h ASP 173 Cb 1.23 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 1kuk h ASP 173 CO 0.47 0.00 0.01 0.29 -3.12 0.00 0.00 179.24 176.89 1kuk n LYS 174 N -4.48 3.88 -1.60 3.56 4.76 -1.26 -5.00 118.16 118.02 1kuk n LYS 174 Ca 0.00 -2.34 -0.52 0.00 -2.87 0.00 0.00 58.31 52.58 1kuk n LYS 174 Cb 0.22 -2.07 -0.06 0.00 -1.84 0.00 0.00 35.03 31.28 1kuk n LYS 174 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1kuk n GLN 175 N 0.45 1.20 -2.85 1.97 -0.06 -0.51 -4.93 117.38 112.65 1kuk n GLN 175 Ca 0.21 0.43 -0.29 0.00 -2.00 0.00 0.00 57.00 55.35 1kuk n GLN 175 Cb 0.96 -2.09 -0.02 0.00 -4.06 0.00 0.00 30.24 25.03 1kuk n GLN 175 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1kuk s SER 176 N 0.69 6.43 0.00 1.69 0.15 0.66 -4.99 113.70 118.34 1kuk s SER 176 Ca 0.85 1.02 0.17 0.00 0.70 0.00 0.00 55.95 58.69 1kuk s SER 176 Cb -0.95 -2.28 0.50 0.00 -1.71 0.00 0.00 66.02 61.59 1kuk s SER 176 CO 0.47 -0.43 1.40 2.29 1.20 0.00 0.00 173.24 178.18 1kuk n LYS 177 N -1.54 2.03 -3.96 5.44 2.85 -1.26 -4.17 118.16 117.55 1kuk n LYS 177 Ca 0.01 -1.58 -0.32 0.00 -1.05 0.00 0.00 58.31 55.37 1kuk n LYS 177 Cb 0.54 -1.39 -0.05 0.00 -0.65 0.00 0.00 35.03 33.48 1kuk n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1kuk s LEU 178 N -1.22 4.23 0.05 -5.58 1.43 -1.26 -4.68 118.68 111.66 1kuk s LEU 178 Ca 0.32 0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 53.47 1kuk s LEU 178 Cb 0.17 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 1kuk s LEU 178 CO 0.24 0.23 0.64 -0.36 0.23 0.00 0.00 176.35 177.33 1kuk s PHE 179 N -1.35 3.76 1.04 0.29 0.08 -1.26 -0.86 117.98 119.68 1kuk s PHE 179 Ca 0.29 1.33 -0.15 0.00 0.12 0.00 0.00 56.93 58.51 1kuk s PHE 179 Cb -0.13 -2.63 0.21 0.00 -0.57 0.00 0.00 43.02 39.91 1kuk s PHE 179 CO 0.20 0.44 1.13 -1.54 -0.10 0.00 0.00 175.22 175.36 1kuk s SER 180 N -0.60 2.35 0.37 1.36 1.04 -1.26 -4.85 113.70 112.11 1kuk s SER 180 Ca 0.32 0.85 0.16 0.00 0.48 0.00 0.00 55.95 57.75 1kuk s SER 180 Cb -0.20 -1.29 0.72 0.00 0.10 0.00 0.00 66.02 65.35 1kuk s SER 180 CO 0.20 -3.26 1.79 -0.78 0.98 0.00 0.00 173.24 172.16 1kuk h ASP 181 N -1.99 0.00 -0.38 7.02 3.58 -1.97 -1.54 116.42 121.14 1kuk h ASP 181 Ca -0.50 0.00 0.02 0.00 0.42 0.00 0.00 57.03 56.98 1kuk h ASP 181 Cb 1.31 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.33 1kuk h ASP 181 CO 0.50 0.39 0.21 0.00 -2.88 0.00 0.00 179.24 177.46 1kuk h SER 183 N 0.42 0.63 -0.68 0.00 0.02 -1.78 -0.75 113.55 111.41 1kuk h SER 183 Ca 0.15 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1kuk h SER 183 Cb 0.03 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1kuk h SER 183 CO -0.09 0.79 0.25 0.11 -1.14 0.00 0.00 176.83 176.75 1kuk h LYS 184 N 0.46 1.06 -0.59 3.45 1.57 -1.19 -0.93 116.57 120.40 1kuk h LYS 184 Ca 0.10 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1kuk h LYS 184 Cb 0.46 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1kuk h LYS 184 CO 0.02 0.88 0.06 -0.44 -0.57 0.00 0.00 179.45 179.40 1kuk h ASP 185 N 1.03 0.97 -0.71 0.86 5.19 -0.82 -0.19 116.42 122.75 1kuk h ASP 185 Ca 0.23 -0.28 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1kuk h ASP 185 Cb 0.24 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.45 1kuk h ASP 185 CO -0.02 1.00 0.31 1.88 -3.12 0.00 0.00 179.24 179.29 1kuk h TYR 186 N 0.90 1.07 -0.59 4.55 0.99 -0.79 -1.53 116.97 121.56 1kuk h TYR 186 Ca 0.17 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 1kuk h TYR 186 Cb 0.47 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 37.85 1kuk h TYR 186 CO 0.03 0.80 0.02 -0.92 -0.00 0.00 0.00 178.16 178.10 1kuk h TYR 187 N 1.04 1.12 -0.51 4.88 3.20 -0.67 -0.57 116.97 125.47 1kuk h TYR 187 Ca 0.25 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1kuk h TYR 187 Cb 0.17 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1kuk h TYR 187 CO 0.02 0.99 0.32 0.37 -1.64 0.00 0.00 178.16 178.22 1kuk h GLN 188 N 0.93 0.63 -0.85 1.82 5.75 -0.75 0.20 115.11 122.84 1kuk h GLN 188 Ca 0.17 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1kuk h GLN 188 Cb 0.53 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1kuk h GLN 188 CO 0.03 0.42 0.56 1.15 -2.65 0.00 0.00 178.83 178.33 1kuk h THR 189 N 0.65 1.20 -0.40 2.39 2.02 -0.97 -0.73 112.91 117.08 1kuk h THR 189 Ca 0.19 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1kuk h THR 189 Cb -0.04 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1kuk h THR 189 CO -0.06 0.21 0.17 0.15 0.37 0.00 0.00 175.52 176.35 1kuk h PHE 190 N 1.13 0.59 -0.20 3.16 3.57 -0.42 0.36 116.94 125.12 1kuk h PHE 190 Ca 0.32 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1kuk h PHE 190 Cb -0.10 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1kuk h PHE 190 CO -0.02 0.52 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.35 1kuk h LEU 191 N 0.50 0.33 0.05 0.59 3.38 -0.59 0.45 115.31 120.01 1kuk h LEU 191 Ca 0.13 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1kuk h LEU 191 Cb 0.17 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1kuk h LEU 191 CO -0.01 0.52 -0.70 0.74 0.09 0.00 0.00 178.44 179.08 1kuk h THR 192 N 0.31 1.45 0.01 0.22 2.02 -0.92 -3.26 112.91 112.75 1kuk h THR 192 Ca 0.06 -2.25 -0.31 0.00 0.77 0.00 0.00 66.41 64.68 1kuk h THR 192 Cb 0.48 2.80 -0.05 0.00 -1.74 0.00 0.00 68.15 69.64 1kuk h THR 192 CO 0.03 0.65 -1.86 0.59 0.37 0.00 0.00 175.52 175.30 1kuk n ASN 193 N -4.17 0.80 -0.08 4.18 3.02 0.10 -4.71 115.26 114.40 1kuk n ASN 193 Ca -0.12 0.32 -0.15 0.00 -0.03 0.00 0.00 54.58 54.60 1kuk n ASN 193 Cb 0.73 0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.93 1kuk n ASN 193 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kuk n ASP 194 N -3.02 1.40 -4.00 6.41 4.64 -0.00 -5.04 116.55 116.94 1kuk n ASP 194 Ca -0.21 0.23 -0.44 0.00 -1.38 0.00 0.00 54.79 53.00 1kuk n ASP 194 Cb 1.07 -0.56 0.02 0.00 -1.04 0.00 0.00 41.12 40.62 1kuk n ASP 194 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1kuk n ASN 195 N -3.91 -4.39 -4.74 1.67 5.15 -0.32 -4.84 115.26 103.87 1kuk n ASN 195 Ca -0.28 -1.24 -0.42 0.00 -0.60 0.00 0.00 54.58 52.04 1kuk n ASN 195 Cb 0.63 -1.98 -0.01 0.00 -0.53 0.00 0.00 39.78 37.89 1kuk n ASN 195 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1kuk n PRO 196 N -4.85 2.51 0.18 1.20 -0.04 -1.26 -4.92 135.00 127.82 1kuk n PRO 196 Ca -0.11 0.89 0.03 0.00 -0.04 0.00 0.00 63.50 64.27 1kuk n PRO 196 Cb 0.57 -2.60 0.35 0.00 -0.04 0.00 0.00 33.50 31.79 1kuk n PRO 196 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1kuk h GLN 197 N 3.59 0.00 0.00 0.54 5.75 -1.94 -3.28 115.11 119.77 1kuk h GLN 197 Ca -0.48 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 57.98 1kuk h GLN 197 Cb 1.25 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 1kuk h GLN 197 CO 0.70 0.40 -0.17 0.00 -2.65 0.00 0.00 178.83 177.11 1kuk n ILE 199 N -3.99 0.24 0.16 0.00 -5.35 -1.24 -3.14 119.36 106.04 1kuk n ILE 199 Ca -0.02 -0.37 0.12 0.00 -0.27 0.00 0.00 62.75 62.21 1kuk n ILE 199 Cb 0.25 0.38 0.02 0.00 -1.74 0.00 0.00 39.64 38.55 1kuk n ILE 199 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1kuk h LEU 200 N 2.26 0.00 -8.82 7.28 3.38 -1.46 0.04 115.31 117.99 1kuk h LEU 200 Ca 0.00 -0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.34 1kuk h LEU 200 Cb 0.50 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1kuk h LEU 200 CO 0.00 0.01 0.46 0.20 0.09 0.00 0.00 178.44 179.20 1kuk s ASN 201 N -5.26 6.60 0.59 -0.43 0.01 -1.19 -4.84 114.94 110.42 1kuk s ASN 201 Ca 0.00 0.44 -0.17 0.00 -0.71 0.00 0.00 52.86 52.43 1kuk s ASN 201 Cb 0.10 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1kuk s ASN 201 CO 0.78 -0.78 1.09 0.00 -1.51 0.00 0.00 177.10 176.68 1kuk s ALA 202 N 3.24 2.66 -2.00 0.60 0.00 -1.26 -4.74 121.76 120.25 1kuk s ALA 202 Ca 0.34 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.90 1kuk s ALA 202 Cb -0.13 -3.29 0.25 0.00 0.00 0.00 0.00 23.12 19.96 1kuk s ALA 202 CO 0.17 -0.88 0.73 -2.30 0.00 0.00 0.00 175.76 173.48