#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukx n SER 2 N 0.00 -2.49 -4.80 1.61 7.64 -1.26 -4.96 113.62 109.36 1ukx n SER 2 Ca 0.00 -0.68 -0.34 0.00 1.01 0.00 0.00 58.87 58.86 1ukx n SER 2 Cb 0.00 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.27 1ukx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ukx s SER 3 N -3.53 6.15 0.00 6.43 0.01 -1.26 -4.95 113.70 116.55 1ukx s SER 3 Ca 0.17 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1ukx s SER 3 Cb -0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1ukx s SER 3 CO 0.54 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1ukx n GLY 4 N -0.43 1.02 0.27 3.44 0.00 -1.26 -5.05 105.19 103.18 1ukx n GLY 4 Ca 0.09 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1ukx n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ukx h SER 5 N 0.00 0.00 0.00 1.61 0.87 -2.04 -3.48 113.55 110.51 1ukx h SER 5 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ukx h SER 5 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ukx h SER 5 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 1ukx n SER 6 N -4.46 -1.83 0.00 6.23 7.64 -1.26 -4.98 113.62 114.95 1ukx n SER 6 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ukx n SER 6 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1ukx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukx n GLY 7 N 0.00 1.94 2.69 0.23 0.00 -1.26 -4.94 105.19 103.84 1ukx n GLY 7 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1ukx n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ukx s MET 8 N 0.00 0.55 -0.56 1.61 1.00 -1.26 -5.08 119.30 115.56 1ukx s MET 8 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 55.69 54.69 1ukx s MET 8 Cb 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 34.83 32.88 1ukx s MET 8 CO 0.00 -0.87 2.41 0.39 0.00 0.00 0.00 175.02 176.95 1ukx n GLU 9 N 5.02 0.83 -4.34 2.03 4.71 -1.26 -4.94 120.64 122.70 1ukx n GLU 9 Ca -0.05 0.11 -0.30 0.00 -0.01 0.00 0.00 57.16 56.91 1ukx n GLU 9 Cb 0.44 -2.65 -0.11 0.00 -1.01 0.00 0.00 31.44 28.12 1ukx n GLU 9 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ukx s SER 10 N 9.73 4.21 0.27 1.62 0.15 -1.26 -5.02 113.70 123.41 1ukx s SER 10 Ca 1.11 -0.41 -0.00 0.00 0.70 0.00 0.00 55.95 57.35 1ukx s SER 10 Cb -0.67 -0.76 0.52 0.00 -1.71 0.00 0.00 66.02 63.41 1ukx s SER 10 CO 0.39 0.20 1.80 1.88 1.20 0.00 0.00 173.24 178.72 1ukx h TYR 11 N 3.88 0.96 0.00 3.44 0.05 -1.88 -2.51 116.97 120.90 1ukx h TYR 11 Ca -0.49 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.27 1ukx h TYR 11 Cb 1.17 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1ukx h TYR 11 CO 0.59 0.33 -0.27 0.77 -1.05 0.00 0.00 178.16 178.53 1ukx h SER 12 N 0.82 0.00 0.62 3.88 0.02 -1.90 0.11 113.55 117.10 1ukx h SER 12 Ca 0.47 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1ukx h SER 12 Cb 0.54 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 1ukx h SER 12 CO -0.30 0.27 -0.30 1.56 -1.14 0.00 0.00 176.83 176.92 1ukx h GLN 13 N 0.00 -0.80 -0.79 3.45 4.20 -1.84 -1.64 115.11 117.68 1ukx h GLN 13 Ca -0.00 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.91 1ukx h GLN 13 Cb 0.49 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.35 1ukx h GLN 13 CO 0.03 -0.54 0.36 0.00 -0.67 0.00 0.00 178.83 178.02 1ukx h ARG 14 N -0.97 0.50 0.57 1.46 3.08 -1.43 0.86 114.38 118.44 1ukx h ARG 14 Ca -0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1ukx h ARG 14 Cb 0.64 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1ukx h ARG 14 CO 0.14 0.33 -0.47 1.96 -1.07 0.00 0.00 179.97 180.87 1ukx h GLN 15 N 0.52 -0.97 0.00 0.04 4.20 -0.81 -2.30 115.11 115.78 1ukx h GLN 15 Ca 0.44 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.17 1ukx h GLN 15 Cb 0.64 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1ukx h GLN 15 CO -0.39 -0.65 -0.18 0.22 -0.67 0.00 0.00 178.83 177.16 1ukx h ASP 16 N -1.01 0.00 -0.20 1.46 3.58 -0.68 -2.12 116.42 117.45 1ukx h ASP 16 Ca -0.07 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.42 1ukx h ASP 16 Cb 0.86 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 1ukx h ASP 16 CO -0.01 0.18 -0.03 -0.74 -2.88 0.00 0.00 179.24 175.77 1ukx h HIS 17 N 0.00 -0.06 -0.01 0.28 2.76 -0.45 -1.84 115.15 115.84 1ukx h HIS 17 Ca -0.00 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 1ukx h HIS 17 Cb 0.45 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1ukx h HIS 17 CO 0.00 -0.06 -0.78 1.49 -1.30 0.00 0.00 177.93 177.28 1ukx h GLU 18 N 0.03 0.10 0.00 5.26 4.57 -0.85 -0.99 114.58 122.70 1ukx h GLU 18 Ca 0.09 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ukx h GLU 18 Cb 0.13 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1ukx h GLU 18 CO -0.18 0.82 0.00 1.28 -1.18 0.00 0.00 179.01 179.75 1ukx n LEU 19 N -3.67 0.17 -0.10 1.64 4.77 -0.95 -0.30 117.00 118.56 1ukx n LEU 19 Ca -0.02 0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 56.28 1ukx n LEU 19 Cb 0.74 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1ukx n LEU 19 CO 0.45 -0.29 -0.49 1.56 -1.33 0.00 0.00 177.39 177.29 1ukx h GLN 20 N 0.00 0.01 -0.57 3.23 4.20 -0.90 -3.36 115.11 117.71 1ukx h GLN 20 Ca 0.00 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1ukx h GLN 20 Cb 0.31 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1ukx h GLN 20 CO 0.00 1.00 0.30 0.00 -0.67 0.00 0.00 178.83 179.46 1ukx h ALA 21 N -0.46 0.75 0.00 3.87 0.00 -0.65 -2.00 119.26 120.77 1ukx h ALA 21 Ca -0.34 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1ukx h ALA 21 Cb 1.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1ukx h ALA 21 CO -0.20 -0.04 -0.30 -0.07 0.00 0.00 0.00 179.25 178.64 1ukx h LEU 22 N 0.57 0.00 -0.84 0.00 3.38 -0.90 -1.11 115.31 116.42 1ukx h LEU 22 Ca 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1ukx h LEU 22 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ukx h LEU 22 CO -0.18 0.30 -0.15 -0.08 0.09 0.00 0.00 178.44 178.42 1ukx h GLU 23 N 0.00 0.00 0.09 1.13 4.81 -1.52 0.14 114.58 119.24 1ukx h GLU 23 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.92 1ukx h GLU 23 Cb 0.58 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1ukx h GLU 23 CO 0.04 0.15 -1.56 0.00 -0.73 0.00 0.00 179.01 176.90 1ukx h ALA 24 N 1.85 0.37 0.02 2.92 0.00 -0.93 -2.66 119.26 120.83 1ukx h ALA 24 Ca -0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 54.91 53.69 1ukx h ALA 24 Cb 0.81 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ukx h ALA 24 CO 0.02 1.23 -0.17 0.82 0.00 0.00 0.00 179.25 181.15 1ukx h ILE 25 N 0.05 1.70 0.00 0.00 1.08 -1.03 -3.42 117.51 115.90 1ukx h ILE 25 Ca -0.25 -2.28 -0.36 0.00 -0.39 0.00 0.00 64.86 61.58 1ukx h ILE 25 Cb 2.00 3.23 -0.05 0.00 -3.07 0.00 0.00 36.82 38.93 1ukx h ILE 25 CO 0.14 0.61 -2.20 -1.22 -0.69 0.00 0.00 178.15 174.79 1ukx n TYR 26 N -4.52 0.00 0.00 1.37 4.01 0.48 -5.03 117.16 113.47 1ukx n TYR 26 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1ukx n TYR 26 Cb 0.53 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 1ukx n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ukx n GLY 27 N 1.59 0.75 0.28 2.72 0.00 -1.00 -3.59 105.19 105.94 1ukx n GLY 27 Ca -0.43 0.47 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1ukx n GLY 27 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ukx h SER 28 N 0.00 0.00 1.54 1.61 0.02 -1.94 -1.41 113.55 113.38 1ukx h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ukx h SER 28 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ukx h SER 28 CO 0.00 0.06 -0.22 0.44 -1.14 0.00 0.00 176.83 175.98 1ukx h ASP 29 N 0.00 0.00 -3.43 3.07 5.19 -1.92 -3.45 116.42 115.89 1ukx h ASP 29 Ca -0.00 -0.03 -0.54 0.00 -0.62 0.00 0.00 57.03 55.84 1ukx h ASP 29 Cb 0.29 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1ukx h ASP 29 CO 0.01 0.02 0.05 0.12 -3.12 0.00 0.00 179.24 176.31 1ukx s PHE 30 N -3.19 3.74 -0.04 4.55 5.36 -0.53 -1.29 117.98 126.59 1ukx s PHE 30 Ca 0.07 1.35 -0.01 0.00 -0.96 0.00 0.00 56.93 57.38 1ukx s PHE 30 Cb 0.09 -2.57 0.03 0.00 -0.34 0.00 0.00 43.02 40.23 1ukx s PHE 30 CO 0.67 0.46 0.07 -1.14 -1.46 0.00 0.00 175.22 173.81 1ukx s GLN 31 N -1.56 -0.03 0.48 10.12 0.74 -0.19 -4.87 119.66 124.35 1ukx s GLN 31 Ca 0.37 0.31 -0.22 0.00 0.05 0.00 0.00 55.36 55.86 1ukx s GLN 31 Cb -0.18 -0.33 -0.07 0.00 1.10 0.00 0.00 33.01 33.52 1ukx s GLN 31 CO 0.21 -0.24 1.20 0.16 -0.55 0.00 0.00 175.29 176.07 1ukx s ASP 32 N 1.58 5.98 -0.13 6.67 -4.77 -1.26 -0.55 116.67 124.19 1ukx s ASP 32 Ca -0.03 2.38 0.16 0.00 -3.30 0.00 0.00 52.55 51.75 1ukx s ASP 32 Cb -0.12 -2.61 0.39 0.00 -1.09 0.00 0.00 42.92 39.49 1ukx s ASP 32 CO -0.04 -1.05 1.19 0.18 0.70 0.00 0.00 175.17 176.15 1ukx n LEU 33 N -0.64 2.03 -3.63 2.11 4.77 -0.10 -4.86 117.00 116.68 1ukx n LEU 33 Ca 0.08 -3.12 -0.16 0.00 -0.03 0.00 0.00 56.01 52.79 1ukx n LEU 33 Cb 0.48 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1ukx n LEU 33 CO 0.48 1.01 0.25 0.00 -1.33 0.00 0.00 177.39 177.81 1ukx s ARG 34 N -2.08 0.86 0.20 3.23 1.04 -1.25 -4.67 118.95 116.28 1ukx s ARG 34 Ca 0.34 0.13 -0.21 0.00 -1.04 0.00 0.00 55.73 54.95 1ukx s ARG 34 Cb 0.35 0.40 -0.08 0.00 -2.04 0.00 0.00 34.95 33.58 1ukx s ARG 34 CO -0.09 -0.25 0.73 -1.25 -0.04 0.00 0.00 175.30 174.41 1ukx s PRO 35 N -1.09 4.34 0.30 3.89 0.04 -1.26 -4.98 135.00 136.23 1ukx s PRO 35 Ca -0.11 0.94 -0.28 0.00 0.04 0.00 0.00 61.00 61.60 1ukx s PRO 35 Cb -0.02 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1ukx s PRO 35 CO 0.07 0.46 0.97 0.34 0.04 0.00 0.00 177.00 178.87 1ukx s ASP 36 N -1.48 7.38 0.22 6.66 2.15 -1.26 -5.00 116.67 125.34 1ukx s ASP 36 Ca 0.40 1.94 -0.23 0.00 0.43 0.00 0.00 52.55 55.10 1ukx s ASP 36 Cb -0.19 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 39.88 1ukx s ASP 36 CO 0.22 -0.04 0.77 0.00 -0.17 0.00 0.00 175.17 175.95 1ukx s ALA 37 N -1.42 -1.41 0.06 3.66 0.00 -1.26 -5.19 121.76 116.19 1ukx s ALA 37 Ca 0.47 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1ukx s ALA 37 Cb -0.23 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1ukx s ALA 37 CO 0.29 -0.98 -0.09 1.03 0.00 0.00 0.00 175.76 176.01 1ukx s ARG 38 N -3.70 0.63 0.23 0.00 0.52 -1.26 -5.07 118.95 110.30 1ukx s ARG 38 Ca 0.10 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 1ukx s ARG 38 Cb -0.04 -0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.04 1ukx s ARG 38 CO 0.02 0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.82 1ukx n GLY 39 N 1.22 -2.15 5.51 -3.53 0.00 -1.26 -5.08 105.19 99.89 1ukx n GLY 39 Ca -0.21 -1.45 0.05 0.00 0.00 0.00 0.00 46.02 44.41 1ukx n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukx n ARG 40 N -1.44 -0.69 -1.52 1.61 1.74 -1.26 -4.67 116.66 110.43 1ukx n ARG 40 Ca 0.00 0.45 -0.43 0.00 -0.77 0.00 0.00 57.85 57.11 1ukx n ARG 40 Cb 0.11 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1ukx n ARG 40 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1ukx n VAL 41 N -2.33 2.05 -3.02 1.55 0.24 -1.26 -4.96 118.33 110.60 1ukx n VAL 41 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.38 1ukx n VAL 41 Cb 0.16 -0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 31.69 1ukx n VAL 41 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1ukx s ARG 42 N -1.67 3.51 0.55 7.34 6.06 -1.26 -5.04 118.95 128.44 1ukx s ARG 42 Ca 0.62 -0.04 -0.16 0.00 -2.50 0.00 0.00 55.73 53.66 1ukx s ARG 42 Cb -0.63 -3.89 -0.06 0.00 0.06 0.00 0.00 34.95 30.43 1ukx s ARG 42 CO 0.58 -0.97 1.01 -2.00 -2.50 0.00 0.00 175.30 171.42 1ukx s GLU 43 N 3.05 3.75 0.09 5.12 2.56 -1.26 -4.69 118.70 127.32 1ukx s GLU 43 Ca 0.28 1.00 -0.31 0.00 0.00 0.00 0.00 54.97 55.94 1ukx s GLU 43 Cb -0.13 -2.10 -0.08 0.00 2.00 0.00 0.00 34.13 33.82 1ukx s GLU 43 CO 0.19 -0.44 1.47 -1.25 -0.56 0.00 0.00 175.26 174.67 1ukx s PRO 44 N -4.18 4.27 -0.99 4.30 0.04 -1.26 -4.92 135.00 132.26 1ukx s PRO 44 Ca 0.60 2.15 -0.24 0.00 0.04 0.00 0.00 61.00 63.55 1ukx s PRO 44 Cb -0.12 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1ukx s PRO 44 CO 0.35 -0.55 1.76 -1.25 0.04 0.00 0.00 177.00 177.34 1ukx s PRO 45 N 1.67 3.00 0.26 0.56 0.04 -1.12 -4.93 135.00 134.47 1ukx s PRO 45 Ca 0.67 -0.74 -0.30 0.00 0.04 0.00 0.00 61.00 60.67 1ukx s PRO 45 Cb -0.37 -5.21 -0.09 0.00 0.04 0.00 0.00 34.50 28.87 1ukx s PRO 45 CO 0.30 -2.94 1.13 -2.00 0.04 0.00 0.00 177.00 173.53 1ukx s GLU 46 N 6.09 4.59 0.29 4.56 2.12 -1.17 -4.14 118.70 131.05 1ukx s GLU 46 Ca 0.60 1.84 0.02 0.00 0.36 0.00 0.00 54.97 57.80 1ukx s GLU 46 Cb -0.03 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1ukx s GLU 46 CO -0.03 0.12 0.10 0.96 -0.54 0.00 0.00 175.26 175.87 1ukx s ILE 47 N -0.89 0.68 0.00 -3.70 -5.25 -0.81 -0.92 121.20 110.32 1ukx s ILE 47 Ca 0.47 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 58.16 1ukx s ILE 47 Cb -0.32 -2.64 -0.01 0.00 2.95 0.00 0.00 42.46 42.43 1ukx s ILE 47 CO 0.41 0.00 -0.10 0.21 -1.79 0.00 0.00 174.94 173.67 1ukx s ASN 48 N -3.38 1.13 -0.11 4.36 2.47 0.29 -3.66 114.94 116.04 1ukx s ASN 48 Ca 0.36 -0.23 -0.02 0.00 0.42 0.00 0.00 52.86 53.40 1ukx s ASN 48 Cb 0.07 -0.11 0.04 0.00 -1.45 0.00 0.00 41.25 39.81 1ukx s ASN 48 CO 0.15 0.08 0.02 -0.76 -3.72 0.00 0.00 177.10 172.87 1ukx s LEU 49 N -0.43 0.70 0.22 3.21 1.43 -0.47 -1.02 118.68 122.32 1ukx s LEU 49 Ca 0.02 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 1ukx s LEU 49 Cb -0.04 -0.45 -0.08 0.00 0.03 0.00 0.00 46.19 45.64 1ukx s LEU 49 CO -0.00 -0.24 1.08 -0.69 0.23 0.00 0.00 176.35 176.73 1ukx s VAL 50 N 1.97 3.79 -0.00 -1.59 1.01 -0.41 -0.45 120.40 124.71 1ukx s VAL 50 Ca 0.03 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 1ukx s VAL 50 Cb -0.14 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1ukx s VAL 50 CO -0.06 0.33 0.03 -0.76 0.00 0.00 0.00 175.10 174.64 1ukx s LEU 51 N -0.80 1.94 0.20 3.92 1.43 -0.06 -4.90 118.68 120.40 1ukx s LEU 51 Ca 0.47 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1ukx s LEU 51 Cb -0.30 0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.08 1ukx s LEU 51 CO 0.36 -0.16 0.05 -0.31 0.23 0.00 0.00 176.35 176.52 1ukx s TYR 52 N -0.68 1.29 0.54 0.29 1.51 -1.26 -1.57 117.35 117.47 1ukx s TYR 52 Ca -0.08 -1.11 -0.18 0.00 -1.01 0.00 0.00 57.07 54.69 1ukx s TYR 52 Cb -0.05 -0.74 -0.06 0.00 -0.11 0.00 0.00 41.96 41.01 1ukx s TYR 52 CO -0.00 -0.30 1.05 -1.25 -1.11 0.00 0.00 175.55 173.93 1ukx s PRO 53 N -3.98 3.57 1.08 -1.71 0.04 -1.26 -4.56 135.00 128.17 1ukx s PRO 53 Ca 0.30 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 1ukx s PRO 53 Cb 0.07 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.78 1ukx s PRO 53 CO 0.08 -0.62 1.06 1.14 0.04 0.00 0.00 177.00 178.70 1ukx s GLN 54 N -3.68 -0.28 0.00 4.56 1.03 -1.26 -1.72 119.66 118.30 1ukx s GLN 54 Ca 0.65 0.82 0.00 0.00 0.04 0.00 0.00 55.36 56.87 1ukx s GLN 54 Cb -0.16 -1.63 0.00 0.00 0.03 0.00 0.00 33.01 31.25 1ukx s GLN 54 CO 0.29 -3.29 0.00 0.41 -2.54 0.00 0.00 175.29 170.16 1ukx n GLY 55 N 0.14 1.71 0.98 2.60 0.00 -1.26 -4.49 105.19 104.87 1ukx n GLY 55 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ukx n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukx n LEU 56 N 0.00 0.00 0.00 0.99 4.77 -1.25 -5.15 117.00 116.36 1ukx n LEU 56 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ukx n LEU 56 Cb 0.00 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ukx n LEU 56 CO 0.00 -0.25 0.00 0.00 -1.33 0.00 0.00 177.39 175.81 1ukx n ALA 57 N -1.99 0.00 -1.70 -1.18 0.00 -0.70 -4.11 120.51 110.83 1ukx n ALA 57 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1ukx n ALA 57 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ukx n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukx n GLY 58 N 0.00 2.56 0.00 0.00 0.00 -1.26 -4.65 105.19 101.83 1ukx n GLY 58 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1ukx n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ukx n GLU 59 N 7.34 0.00 0.00 1.61 2.13 -1.26 -5.12 120.64 125.35 1ukx n GLU 59 Ca 0.49 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1ukx n GLU 59 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1ukx n GLU 59 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ukx n GLU 60 N 0.00 0.00 -0.28 5.31 -0.58 -1.26 -4.97 120.64 118.86 1ukx n GLU 60 Ca 0.00 0.35 0.04 0.00 -0.42 0.00 0.00 57.16 57.13 1ukx n GLU 60 Cb 0.00 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.55 1ukx n GLU 60 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1ukx n VAL 61 N -1.50 0.00 0.14 2.62 0.24 -1.26 -4.98 118.33 113.59 1ukx n VAL 61 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ukx n VAL 61 Cb 0.00 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 1ukx n VAL 61 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ukx n TYR 62 N -2.44 -2.73 -3.03 6.34 4.02 -1.26 -5.04 117.16 113.03 1ukx n TYR 62 Ca 0.00 0.65 -0.39 0.00 -0.01 0.00 0.00 57.90 58.15 1ukx n TYR 62 Cb 0.13 1.41 -0.06 0.00 -0.02 0.00 0.00 39.34 40.80 1ukx n TYR 62 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ukx s VAL 63 N -1.77 4.42 0.06 -0.72 -7.23 -1.26 -1.65 120.40 112.25 1ukx s VAL 63 Ca 0.00 1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 61.57 1ukx s VAL 63 Cb 0.00 -4.10 0.05 0.00 0.56 0.00 0.00 36.38 32.89 1ukx s VAL 63 CO 0.00 0.52 0.53 0.00 -0.31 0.00 0.00 175.10 175.84 1ukx s GLN 64 N -1.16 1.07 0.12 4.82 -2.07 -1.26 -4.26 119.66 116.92 1ukx s GLN 64 Ca 0.35 -0.28 -0.10 0.00 -1.82 0.00 0.00 55.36 53.51 1ukx s GLN 64 Cb -0.22 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1ukx s GLN 64 CO 0.25 -0.40 0.26 0.54 -1.32 0.00 0.00 175.29 174.62 1ukx s VAL 65 N -2.66 0.11 -0.14 3.63 0.11 -0.61 -1.44 120.40 119.40 1ukx s VAL 65 Ca -0.04 -1.13 -0.07 0.00 -2.93 0.00 0.00 61.98 57.80 1ukx s VAL 65 Cb -0.00 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1ukx s VAL 65 CO -0.03 -0.49 0.12 -1.61 -3.33 0.00 0.00 175.10 169.76 1ukx s GLU 66 N -3.88 3.60 -0.30 1.54 2.02 -0.49 -0.88 118.70 120.31 1ukx s GLU 66 Ca 0.08 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.69 1ukx s GLU 66 Cb 0.04 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 1ukx s GLU 66 CO -0.08 0.63 0.56 -1.17 0.02 0.00 0.00 175.26 175.22 1ukx s LEU 67 N -0.61 4.14 -0.15 1.80 2.96 0.40 -2.48 118.68 124.74 1ukx s LEU 67 Ca 0.12 0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 54.32 1ukx s LEU 67 Cb -0.12 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 1ukx s LEU 67 CO 0.02 -0.40 0.18 -0.13 -1.32 0.00 0.00 176.35 174.70 1ukx s ARG 68 N 2.44 3.85 -0.04 1.98 3.00 -0.04 -1.37 118.95 128.77 1ukx s ARG 68 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 55.73 55.84 1ukx s ARG 68 Cb -0.15 -3.31 0.03 0.00 0.00 0.00 0.00 34.95 31.53 1ukx s ARG 68 CO 0.11 0.53 0.09 0.08 0.00 0.00 0.00 175.30 176.11 1ukx s VAL 69 N -0.34 -0.08 0.14 3.52 1.01 -1.24 -1.48 120.40 121.94 1ukx s VAL 69 Ca 0.13 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.42 1ukx s VAL 69 Cb -0.12 -0.17 -0.19 0.00 0.00 0.00 0.00 36.38 35.91 1ukx s VAL 69 CO 0.02 0.10 1.32 0.07 0.00 0.00 0.00 175.10 176.62 1ukx h LYS 70 N 7.47 0.01 -4.89 2.72 2.10 -1.82 -2.15 116.57 120.01 1ukx h LYS 70 Ca -0.39 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1ukx h LYS 70 Cb 1.13 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.41 1ukx h LYS 70 CO 0.40 0.95 -1.05 0.00 -2.00 0.00 0.00 179.45 177.75 1ukx s PRO 72 N -0.52 0.86 0.00 0.00 0.04 -1.26 -3.94 135.00 130.18 1ukx s PRO 72 Ca -0.11 1.25 0.09 0.00 0.04 0.00 0.00 61.00 62.27 1ukx s PRO 72 Cb 0.01 -1.73 0.51 0.00 0.04 0.00 0.00 34.50 33.33 1ukx s PRO 72 CO 0.30 -2.64 1.05 -0.35 0.04 0.00 0.00 177.00 175.40 1ukx n PRO 73 N -4.21 0.64 0.00 0.56 -0.04 -1.26 -2.01 135.00 128.68 1ukx n PRO 73 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ukx n PRO 73 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1ukx n PRO 73 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ukx n THR 74 N -0.71 0.00 -1.73 0.52 -2.24 -1.26 -4.83 114.28 104.03 1ukx n THR 74 Ca 0.06 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1ukx n THR 74 Cb 0.03 1.28 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 1ukx n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukx n TYR 75 N -0.14 2.40 0.96 4.78 4.19 -0.85 -0.76 117.16 127.74 1ukx n TYR 75 Ca 0.00 0.48 0.09 0.00 3.31 0.00 0.00 57.90 61.78 1ukx n TYR 75 Cb 0.07 -2.42 0.27 0.00 0.49 0.00 0.00 39.34 37.75 1ukx n TYR 75 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1ukx n PRO 76 N 0.08 1.86 0.28 2.98 -0.04 -1.26 -4.85 135.00 134.04 1ukx n PRO 76 Ca 0.05 -1.31 0.16 0.00 -0.04 0.00 0.00 63.50 62.37 1ukx n PRO 76 Cb 0.40 -1.36 0.92 0.00 -0.04 0.00 0.00 33.50 33.42 1ukx n PRO 76 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ukx h ASP 77 N 2.39 0.00 -4.14 3.54 3.58 -1.22 -0.63 116.42 119.94 1ukx h ASP 77 Ca 0.00 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 1ukx h ASP 77 Cb 0.53 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.34 1ukx h ASP 77 CO 0.00 0.00 -0.86 0.68 -2.88 0.00 0.00 179.24 176.18 1ukx s VAL 78 N -4.57 2.01 0.38 2.25 -7.23 -1.17 -4.71 120.40 107.35 1ukx s VAL 78 Ca -0.05 -1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 58.34 1ukx s VAL 78 Cb 0.15 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 1ukx s VAL 78 CO 0.53 0.16 1.44 0.68 -0.31 0.00 0.00 175.10 177.59 1ukx s VAL 79 N -0.96 2.20 0.92 1.32 -7.23 -1.26 -4.30 120.40 111.10 1ukx s VAL 79 Ca 0.11 0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 60.35 1ukx s VAL 79 Cb -0.10 -3.13 0.14 0.00 0.56 0.00 0.00 36.38 33.86 1ukx s VAL 79 CO 0.04 0.05 1.12 -2.16 -0.31 0.00 0.00 175.10 173.83 1ukx s PRO 80 N -2.08 1.05 0.64 4.82 0.04 -1.26 -4.90 135.00 133.31 1ukx s PRO 80 Ca 0.53 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 1ukx s PRO 80 Cb -0.45 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1ukx s PRO 80 CO 0.60 -2.28 1.04 -1.21 0.04 0.00 0.00 177.00 175.19 1ukx s GLU 81 N -5.18 3.38 -0.04 4.56 2.02 -1.26 -5.01 118.70 117.17 1ukx s GLU 81 Ca 0.64 0.84 0.02 0.00 0.02 0.00 0.00 54.97 56.49 1ukx s GLU 81 Cb -0.16 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1ukx s GLU 81 CO 0.55 -0.75 -0.09 0.42 0.02 0.00 0.00 175.26 175.41 1ukx s ILE 82 N -3.10 0.83 0.06 -1.63 1.01 -1.26 -4.26 121.20 112.85 1ukx s ILE 82 Ca 0.56 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.91 1ukx s ILE 82 Cb -0.12 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1ukx s ILE 82 CO 0.53 0.27 -0.15 -1.81 0.00 0.00 0.00 174.94 173.77 1ukx s ASP 83 N 0.38 1.83 -0.08 3.58 1.01 -0.55 -5.02 116.67 117.81 1ukx s ASP 83 Ca -0.06 -0.56 0.02 0.00 0.71 0.00 0.00 52.55 52.65 1ukx s ASP 83 Cb -0.11 -0.09 -0.02 0.00 1.01 0.00 0.00 42.92 43.71 1ukx s ASP 83 CO 0.01 -0.01 -0.13 -0.76 0.21 0.00 0.00 175.17 174.49 1ukx s LEU 84 N -1.52 2.79 0.23 1.23 2.01 -1.26 -0.86 118.68 121.29 1ukx s LEU 84 Ca 0.01 -0.22 -0.04 0.00 0.01 0.00 0.00 54.13 53.89 1ukx s LEU 84 Cb -0.09 -1.59 -0.03 0.00 0.01 0.00 0.00 46.19 44.49 1ukx s LEU 84 CO 0.02 0.28 0.24 -0.54 1.01 0.00 0.00 176.35 177.37 1ukx s LYS 85 N -0.34 1.35 -1.27 1.70 -0.14 -1.04 -4.89 119.74 115.12 1ukx s LYS 85 Ca 0.04 -1.56 0.00 0.00 -1.36 0.00 0.00 55.97 53.08 1ukx s LYS 85 Cb -0.13 0.33 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 1ukx s LYS 85 CO 0.02 -0.49 0.00 0.09 -0.76 0.00 0.00 175.35 174.22 1ukx n ASN 86 N -0.42 -3.85 -4.64 2.83 3.02 -1.26 -1.39 115.26 109.54 1ukx n ASN 86 Ca 0.01 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1ukx n ASN 86 Cb 0.65 -3.41 -0.03 0.00 -0.61 0.00 0.00 39.78 36.38 1ukx n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukx s ALA 87 N -2.42 3.35 0.00 5.41 0.00 -1.26 -4.55 121.76 122.29 1ukx s ALA 87 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1ukx s ALA 87 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1ukx s ALA 87 CO 0.00 -1.87 0.00 1.63 0.00 0.00 0.00 175.76 175.52 1ukx n LYS 88 N 7.75 0.00 0.00 0.00 5.02 -0.52 -2.69 118.16 127.72 1ukx n LYS 88 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1ukx n LYS 88 Cb 0.43 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1ukx n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ukx n GLY 89 N 2.51 -0.39 0.00 0.72 0.00 -0.66 -1.66 105.19 105.71 1ukx n GLY 89 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ukx n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukx n LEU 90 N -1.38 0.19 0.00 0.99 4.77 -1.26 -4.91 117.00 115.40 1ukx n LEU 90 Ca 0.00 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1ukx n LEU 90 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ukx n LEU 90 CO 0.00 0.05 0.00 -0.24 -1.33 0.00 0.00 177.39 175.87 1ukx n SER 91 N -1.44 0.00 -0.78 -1.43 2.88 -0.67 -0.15 113.62 112.04 1ukx n SER 91 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1ukx n SER 91 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1ukx n SER 91 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ukx n ASN 92 N 0.37 0.21 0.00 -3.46 6.94 -1.26 -4.60 115.26 113.46 1ukx n ASN 92 Ca 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1ukx n ASN 92 Cb 0.00 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 1ukx n ASN 92 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ukx n GLU 93 N 0.13 0.00 0.00 -3.83 1.02 0.79 -4.75 120.64 114.00 1ukx n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ukx n GLU 93 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 1ukx n GLU 93 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ukx n SER 94 N 0.00 0.11 0.00 1.62 7.64 -1.25 -1.66 113.62 120.08 1ukx n SER 94 Ca 0.00 -0.64 -0.10 0.00 1.01 0.00 0.00 58.87 59.14 1ukx n SER 94 Cb 0.00 -0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 1ukx n SER 94 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ukx h VAL 95 N 0.00 0.87 -0.87 0.44 2.07 -1.86 -2.60 116.25 114.30 1ukx h VAL 95 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1ukx h VAL 95 Cb 0.05 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1ukx h VAL 95 CO 0.00 0.00 0.49 -0.55 0.02 0.00 0.00 177.57 177.53 1ukx h ASN 96 N -0.02 0.67 0.69 0.57 7.08 -1.61 0.11 115.58 123.07 1ukx h ASN 96 Ca 0.05 0.07 -0.03 0.00 -3.08 0.00 0.00 56.30 53.30 1ukx h ASN 96 Cb 0.10 -0.06 0.01 0.00 -2.08 0.00 0.00 38.32 36.29 1ukx h ASN 96 CO -0.12 0.34 -0.33 0.25 -2.08 0.00 0.00 177.43 175.49 1ukx h LEU 97 N 0.77 -0.78 -1.14 6.14 6.46 -1.76 -1.06 115.31 123.93 1ukx h LEU 97 Ca 0.45 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 58.15 1ukx h LEU 97 Cb 0.51 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1ukx h LEU 97 CO -0.30 -0.55 -0.18 0.25 -0.62 0.00 0.00 178.44 177.04 1ukx h LEU 98 N -0.94 0.38 -0.19 2.25 5.85 -0.96 0.53 115.31 122.22 1ukx h LEU 98 Ca -0.09 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1ukx h LEU 98 Cb 0.71 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1ukx h LEU 98 CO 0.16 0.58 0.10 0.50 -0.34 0.00 0.00 178.44 179.43 1ukx h LYS 99 N 0.36 0.28 -0.74 1.25 3.64 -0.70 -0.51 116.57 120.15 1ukx h LYS 99 Ca 0.06 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1ukx h LYS 99 Cb 0.53 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1ukx h LYS 99 CO 0.03 0.29 0.48 0.77 -2.27 0.00 0.00 179.45 178.75 1ukx h SER 100 N 0.20 0.73 0.35 4.20 0.02 -0.32 -0.03 113.55 118.70 1ukx h SER 100 Ca 0.07 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1ukx h SER 100 Cb 0.10 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ukx h SER 100 CO -0.01 0.49 -0.17 0.45 -1.14 0.00 0.00 176.83 176.45 1ukx h HIS 101 N 0.84 -0.44 -0.88 3.45 3.86 -0.40 -3.07 115.15 118.53 1ukx h HIS 101 Ca 0.30 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 1ukx h HIS 101 Cb 0.14 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 1ukx h HIS 101 CO -0.00 -0.14 0.49 -0.07 0.86 0.00 0.00 177.93 179.06 1ukx h LEU 102 N -0.71 1.09 -1.82 2.43 3.38 -0.81 0.58 115.31 119.44 1ukx h LEU 102 Ca -0.05 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1ukx h LEU 102 Cb 0.49 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ukx h LEU 102 CO 0.08 0.87 0.22 -0.33 0.09 0.00 0.00 178.44 179.37 1ukx h GLU 103 N 1.22 0.23 0.07 1.13 5.08 -1.04 -1.39 114.58 119.87 1ukx h GLU 103 Ca 0.31 -0.01 -0.37 0.00 -1.00 0.00 0.00 59.36 58.28 1ukx h GLU 103 Cb 0.02 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1ukx h GLU 103 CO -0.05 0.15 -2.17 0.39 -1.00 0.00 0.00 179.01 176.33 1ukx n GLU 104 N -4.48 0.71 -0.21 2.33 -0.58 -0.63 -4.07 120.64 113.71 1ukx n GLU 104 Ca 0.04 0.22 0.02 0.00 -0.42 0.00 0.00 57.16 57.01 1ukx n GLU 104 Cb 0.23 -1.64 0.13 0.00 -0.57 0.00 0.00 31.44 29.59 1ukx n GLU 104 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ukx h LEU 105 N 0.04 0.11 -1.07 -4.62 5.85 -0.83 -2.36 115.31 112.42 1ukx h LEU 105 Ca -0.48 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.50 1ukx h LEU 105 Cb 1.99 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 43.05 1ukx h LEU 105 CO 0.02 0.05 0.62 0.00 -0.34 0.00 0.00 178.44 178.79 1ukx h ALA 106 N 1.48 1.66 -0.71 1.25 0.00 -1.40 -1.38 119.26 120.17 1ukx h ALA 106 Ca 0.33 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1ukx h ALA 106 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ukx h ALA 106 CO -0.38 0.05 0.19 0.87 0.00 0.00 0.00 179.25 179.97 1ukx h LYS 107 N 0.84 1.13 0.00 0.00 6.56 -1.58 -1.59 116.57 121.93 1ukx h LYS 107 Ca 0.52 -0.26 -0.08 0.00 -1.06 0.00 0.00 60.65 59.76 1ukx h LYS 107 Cb 0.71 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 1ukx h LYS 107 CO -0.30 0.99 -0.39 0.87 -2.06 0.00 0.00 179.45 178.56 1ukx h LYS 108 N 1.07 0.00 -0.52 3.15 1.57 -1.31 -2.63 116.57 117.91 1ukx h LYS 108 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1ukx h LYS 108 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ukx h LYS 108 CO -0.00 0.39 0.00 1.04 -0.57 0.00 0.00 179.45 180.31 1ukx n GLN 109 N -3.58 2.53 -1.88 3.15 1.13 -0.91 -5.02 117.38 112.80 1ukx n GLN 109 Ca -0.00 -2.34 -0.35 0.00 -1.94 0.00 0.00 57.00 52.37 1ukx n GLN 109 Cb 0.51 -1.52 0.04 0.00 0.11 0.00 0.00 30.24 29.38 1ukx n GLN 109 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukx n GLY 111 N 0.18 3.14 2.77 0.00 0.00 -0.25 -4.99 105.19 106.04 1ukx n GLY 111 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1ukx n GLY 111 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ukx n GLU 112 N -1.26 0.53 -2.91 1.61 0.28 -1.21 -4.67 120.64 113.01 1ukx n GLU 112 Ca 0.00 -2.86 -0.43 0.00 -0.16 0.00 0.00 57.16 53.70 1ukx n GLU 112 Cb 0.00 1.83 -0.03 0.00 1.43 0.00 0.00 31.44 34.66 1ukx n GLU 112 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ukx s VAL 113 N -2.94 4.52 -0.68 3.84 -7.23 -1.26 -4.76 120.40 111.89 1ukx s VAL 113 Ca 0.23 -0.86 0.25 0.00 -1.81 0.00 0.00 61.98 59.79 1ukx s VAL 113 Cb 0.01 -4.70 0.25 0.00 0.56 0.00 0.00 36.38 32.50 1ukx s VAL 113 CO 0.16 -1.44 1.67 0.00 -0.31 0.00 0.00 175.10 175.18 1ukx h MET 114 N 9.27 0.00 0.00 4.82 -0.00 -1.96 -3.35 114.93 123.71 1ukx h MET 114 Ca -0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.53 1ukx h MET 114 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.65 1ukx h MET 114 CO 1.15 0.00 -0.22 0.82 -0.00 0.00 0.00 176.91 178.66 1ukx h ILE 115 N 0.00 0.98 -0.85 -0.10 2.04 -1.97 0.15 117.51 117.76 1ukx h ILE 115 Ca 0.00 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1ukx h ILE 115 Cb 0.77 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1ukx h ILE 115 CO 0.00 0.22 0.52 -0.26 0.00 0.00 0.00 178.15 178.63 1ukx h PHE 116 N 0.00 1.10 -0.31 1.37 0.04 -2.01 -1.40 116.94 115.73 1ukx h PHE 116 Ca -0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1ukx h PHE 116 Cb 0.44 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1ukx h PHE 116 CO 0.00 0.73 -0.50 1.49 -0.60 0.00 0.00 178.31 179.43 1ukx h GLU 117 N 1.16 0.88 -0.23 1.51 4.22 -1.07 -2.46 114.58 118.59 1ukx h GLU 117 Ca 0.31 -0.53 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1ukx h GLU 117 Cb -0.07 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1ukx h GLU 117 CO -0.06 1.17 0.14 -0.07 -2.18 0.00 0.00 179.01 178.01 1ukx h LEU 118 N 0.68 0.27 -0.18 1.64 3.38 -0.51 0.19 115.31 120.78 1ukx h LEU 118 Ca 0.03 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ukx h LEU 118 Cb 1.11 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1ukx h LEU 118 CO 0.11 0.22 0.02 0.00 0.09 0.00 0.00 178.44 178.88 1ukx h ALA 119 N 1.06 0.17 -0.77 1.53 0.00 -1.30 -1.25 119.26 118.70 1ukx h ALA 119 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ukx h ALA 119 Cb -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1ukx h ALA 119 CO -0.02 -0.42 0.48 0.45 0.00 0.00 0.00 179.25 179.75 1ukx h HIS 120 N 0.08 0.91 -0.32 0.00 3.86 -0.99 -0.82 115.15 117.87 1ukx h HIS 120 Ca 0.08 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1ukx h HIS 120 Cb 0.09 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1ukx h HIS 120 CO -0.15 0.51 0.17 1.25 0.86 0.00 0.00 177.93 180.57 1ukx h HIS 121 N 0.93 0.45 -0.48 2.45 6.17 -0.40 0.32 115.15 124.59 1ukx h HIS 121 Ca 0.31 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.42 1ukx h HIS 121 Cb 0.04 -0.14 -0.04 0.00 2.52 0.00 0.00 27.41 29.79 1ukx h HIS 121 CO -0.04 0.37 0.24 0.28 0.71 0.00 0.00 177.93 179.50 1ukx h VAL 122 N 0.40 0.96 -0.61 5.26 2.07 -0.92 0.40 116.25 123.81 1ukx h VAL 122 Ca 0.11 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1ukx h VAL 122 Cb 0.08 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1ukx h VAL 122 CO -0.02 0.09 0.37 1.56 0.02 0.00 0.00 177.57 179.59 1ukx h GLN 123 N 0.48 0.70 -0.40 1.57 4.20 -0.51 0.27 115.11 121.43 1ukx h GLN 123 Ca 0.21 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1ukx h GLN 123 Cb 0.12 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1ukx h GLN 123 CO -0.15 0.47 0.23 1.03 -0.67 0.00 0.00 178.83 179.74 1ukx h SER 124 N 0.73 0.38 -0.25 1.46 0.87 -0.46 -1.53 113.55 114.74 1ukx h SER 124 Ca 0.25 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.62 1ukx h SER 124 Cb 0.04 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1ukx h SER 124 CO -0.11 0.27 -0.61 0.15 -0.53 0.00 0.00 176.83 176.00 1ukx h PHE 125 N 0.47 1.11 0.22 2.24 3.57 -0.57 -2.63 116.94 121.35 1ukx h PHE 125 Ca 0.16 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1ukx h PHE 125 Cb 0.01 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1ukx h PHE 125 CO -0.07 1.26 -0.10 -0.07 -2.23 0.00 0.00 178.31 177.09 1ukx h LEU 126 N 0.64 -0.25 -0.58 0.59 3.38 -0.23 -0.15 115.31 118.71 1ukx h LEU 126 Ca -0.00 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1ukx h LEU 126 Cb 1.23 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 1ukx h LEU 126 CO 0.13 -0.14 0.17 -1.28 0.09 0.00 0.00 178.44 177.41 1ukx h SER 127 N -0.33 0.12 -0.62 -0.43 0.87 -1.31 0.22 113.55 112.07 1ukx h SER 127 Ca -0.03 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1ukx h SER 127 Cb 0.25 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.24 1ukx h SER 127 CO 0.05 0.08 0.26 -0.33 -0.53 0.00 0.00 176.83 176.36 1ukx h GLU 128 N 0.33 0.45 -0.02 2.24 4.39 -1.04 -1.17 114.58 119.75 1ukx h GLU 128 Ca 0.30 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1ukx h GLU 128 Cb 0.40 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1ukx h GLU 128 CO -0.34 0.30 0.00 1.58 -1.16 0.00 0.00 179.01 179.39 1ukx n HIS 129 N -4.95 0.02 -0.09 4.33 -0.00 -0.11 -4.05 115.22 110.35 1ukx n HIS 129 Ca 0.09 -0.01 -0.16 0.00 0.46 0.00 0.00 57.72 58.10 1ukx n HIS 129 Cb 0.26 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.05 1ukx n HIS 129 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1ukx n ASN 130 N -0.13 1.85 -2.69 0.26 4.05 0.70 -4.63 115.26 114.66 1ukx n ASN 130 Ca 0.20 0.49 -0.09 0.00 0.45 0.00 0.00 54.58 55.63 1ukx n ASN 130 Cb 0.28 -0.91 -0.04 0.00 1.23 0.00 0.00 39.78 40.35 1ukx n ASN 130 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1ukx n LYS 131 N -4.48 0.98 0.00 1.20 -0.00 -0.74 -4.71 118.16 110.40 1ukx n LYS 131 Ca -0.24 -0.70 0.00 0.00 -0.00 0.00 0.00 58.31 57.37 1ukx n LYS 131 Cb 0.54 -1.96 0.00 0.00 -0.00 0.00 0.00 35.03 33.61 1ukx n LYS 131 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ukx n SER 132 N 3.62 0.00 -5.00 -5.58 2.88 -1.26 -5.05 113.62 103.22 1ukx n SER 132 Ca 0.21 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.56 1ukx n SER 132 Cb 0.21 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.71 1ukx n SER 132 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ukx s GLY 133 N 0.00 1.82 0.71 0.46 0.00 -1.26 -5.11 107.32 103.94 1ukx s GLY 133 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 44.72 42.68 1ukx s GLY 133 CO 0.00 -1.56 1.09 2.56 0.00 0.00 0.00 173.10 175.19 1ukx s PRO 134 N -4.58 2.62 0.18 2.90 0.04 -1.26 -5.08 135.00 129.83 1ukx s PRO 134 Ca 0.59 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.58 1ukx s PRO 134 Cb -0.07 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1ukx s PRO 134 CO 0.37 -1.36 0.79 0.45 0.04 0.00 0.00 177.00 177.29 1ukx s SER 135 N -3.22 -0.31 -0.30 6.66 0.15 -1.26 -5.16 113.70 110.26 1ukx s SER 135 Ca 0.62 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 1ukx s SER 135 Cb -0.17 0.59 0.19 0.00 -1.71 0.00 0.00 66.02 64.91 1ukx s SER 135 CO 0.51 -1.05 0.72 -0.55 1.20 0.00 0.00 173.24 174.07 1ukx s SER 136 N -2.84 -1.14 0.00 5.45 0.15 -1.26 -5.25 113.70 108.81 1ukx s SER 136 Ca 0.09 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1ukx s SER 136 Cb -0.03 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.24 1ukx s SER 136 CO -0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.83