#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukm s PRO 5 N -2.30 3.07 0.00 0.00 0.04 -1.26 -4.79 135.00 129.76 1ukm s PRO 5 Ca 0.01 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1ukm s PRO 5 Cb -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ukm s PRO 5 CO 0.01 -0.99 0.00 0.43 0.04 0.00 0.00 177.00 176.49 1ukm n SER 6 N -3.03 0.00 -1.68 6.66 7.64 -1.26 -0.89 113.62 121.06 1ukm n SER 6 Ca 0.07 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.03 1ukm n SER 6 Cb 0.54 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.11 1ukm n SER 6 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ukm n ASP 7 N 1.87 5.19 -4.78 6.43 3.85 -1.26 -4.98 116.55 122.87 1ukm n ASP 7 Ca 0.00 -2.74 -0.36 0.00 -0.71 0.00 0.00 54.79 50.99 1ukm n ASP 7 Cb 0.00 -0.63 -0.02 0.00 -1.35 0.00 0.00 41.12 39.12 1ukm n ASP 7 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 1ukm s TRP 8 N -2.38 2.98 -0.11 2.11 0.52 -0.07 -4.94 118.94 117.04 1ukm s TRP 8 Ca 0.52 1.58 -0.03 0.00 0.02 0.00 0.00 56.10 58.18 1ukm s TRP 8 Cb 0.37 -3.21 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 1ukm s TRP 8 CO 0.19 -1.10 0.01 0.99 0.02 0.00 0.00 176.95 177.06 1ukm s THR 9 N -1.73 4.40 0.21 2.01 2.01 0.64 -4.72 115.64 118.47 1ukm s THR 9 Ca 0.64 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.31 1ukm s THR 9 Cb -0.23 -2.89 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 1ukm s THR 9 CO 0.28 0.56 0.60 0.00 -0.69 0.00 0.00 174.62 175.37 1ukm s ALA 10 N -0.48 3.51 -0.29 7.40 0.00 -1.26 -0.33 121.76 130.31 1ukm s ALA 10 Ca 0.09 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 1ukm s ALA 10 Cb -0.12 -2.58 0.12 0.00 0.00 0.00 0.00 23.12 20.54 1ukm s ALA 10 CO 0.02 0.43 0.86 -0.47 0.00 0.00 0.00 175.76 176.60 1ukm s TYR 11 N -1.66 -0.77 -1.22 0.00 5.04 -0.34 -4.98 117.35 113.42 1ukm s TYR 11 Ca 0.44 1.54 -0.11 0.00 -2.44 0.00 0.00 57.07 56.50 1ukm s TYR 11 Cb -0.13 0.46 0.02 0.00 0.35 0.00 0.00 41.96 42.66 1ukm s TYR 11 CO 0.20 -0.38 0.21 -3.47 -1.34 0.00 0.00 175.55 170.77 1ukm n ASP 12 N 3.99 -0.78 -0.75 4.32 2.03 -1.26 -0.29 116.55 123.81 1ukm n ASP 12 Ca -0.19 -1.10 -0.10 0.00 0.52 0.00 0.00 54.79 53.92 1ukm n ASP 12 Cb 0.58 -1.35 -0.04 0.00 -0.72 0.00 0.00 41.12 39.59 1ukm n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ukm n GLN 13 N -4.22 -0.86 -4.30 -0.67 6.02 -1.26 -5.01 117.38 107.07 1ukm n GLN 13 Ca -0.21 0.81 -0.16 0.00 -0.01 0.00 0.00 57.00 57.43 1ukm n GLN 13 Cb 0.55 -4.78 -0.10 0.00 1.02 0.00 0.00 30.24 26.93 1ukm n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1ukm s HIS 14 N -2.27 1.46 -0.03 1.08 3.76 0.61 -2.94 115.29 116.96 1ukm s HIS 14 Ca 0.00 -0.88 0.06 0.00 -0.15 0.00 0.00 55.06 54.08 1ukm s HIS 14 Cb 0.00 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 1ukm s HIS 14 CO 0.00 -0.02 -0.20 0.00 -0.85 0.00 0.00 174.74 173.68 1ukm s TYR 16 N -0.70 1.21 -0.16 0.00 1.51 0.55 -1.53 117.35 118.24 1ukm s TYR 16 Ca 0.11 -0.58 -0.08 0.00 -1.01 0.00 0.00 57.07 55.51 1ukm s TYR 16 Cb -0.10 -0.65 0.06 0.00 -0.11 0.00 0.00 41.96 41.15 1ukm s TYR 16 CO 0.00 0.06 0.38 -1.17 -1.11 0.00 0.00 175.55 173.71 1ukm s LEU 17 N -2.32 0.02 -0.07 -1.29 2.96 -0.76 -0.26 118.68 116.97 1ukm s LEU 17 Ca 0.05 0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 54.57 1ukm s LEU 17 Cb -0.05 1.22 -0.04 0.00 0.50 0.00 0.00 46.19 47.82 1ukm s LEU 17 CO 0.02 -0.19 0.59 0.00 -1.32 0.00 0.00 176.35 175.45 1ukm s ALA 18 N 1.35 3.42 -0.24 5.97 0.00 -1.26 -1.22 121.76 129.79 1ukm s ALA 18 Ca -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1ukm s ALA 18 Cb -0.09 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1ukm s ALA 18 CO -0.12 -0.00 -0.00 0.42 0.00 0.00 0.00 175.76 176.06 1ukm s ILE 19 N 0.51 3.64 0.16 0.00 -1.09 0.19 -4.99 121.20 119.62 1ukm s ILE 19 Ca 0.32 -0.48 0.09 0.00 -2.23 0.00 0.00 60.65 58.35 1ukm s ILE 19 Cb -0.17 -2.71 -0.12 0.00 -1.58 0.00 0.00 42.46 37.88 1ukm s ILE 19 CO 0.15 0.34 1.42 1.23 -1.23 0.00 0.00 174.94 176.85 1ukm h GLY 20 N 8.15 0.00 -5.69 6.18 0.00 -1.96 -1.33 103.07 108.42 1ukm h GLY 20 Ca -0.39 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.38 1ukm h GLY 20 CO 0.60 0.00 1.08 -0.54 0.00 0.00 0.00 176.54 177.67 1ukm s GLU 21 N -3.07 3.98 0.35 4.80 0.41 -1.26 -4.53 118.70 119.37 1ukm s GLU 21 Ca 0.00 1.79 -0.28 0.00 -0.41 0.00 0.00 54.97 56.08 1ukm s GLU 21 Cb 0.11 -3.97 -0.10 0.00 -1.78 0.00 0.00 34.13 28.39 1ukm s GLU 21 CO 0.79 -1.07 1.26 -1.25 -0.49 0.00 0.00 175.26 174.50 1ukm s PRO 22 N 4.29 4.28 0.12 0.39 0.04 -1.26 -4.63 135.00 138.22 1ukm s PRO 22 Ca 0.69 2.10 -0.06 0.00 0.04 0.00 0.00 61.00 63.77 1ukm s PRO 22 Cb -0.26 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 1ukm s PRO 22 CO 0.27 -0.21 0.15 -0.65 0.04 0.00 0.00 177.00 176.60 1ukm s GLN 23 N -1.91 0.92 0.90 4.56 -1.52 -0.73 -4.70 119.66 117.19 1ukm s GLN 23 Ca 0.51 -1.18 -0.14 0.00 -1.95 0.00 0.00 55.36 52.61 1ukm s GLN 23 Cb -0.37 0.31 0.14 0.00 -0.22 0.00 0.00 33.01 32.87 1ukm s GLN 23 CO 0.49 -0.29 1.22 0.54 -0.25 0.00 0.00 175.29 177.00 1ukm s ASN 24 N -2.95 3.67 0.19 5.90 2.20 -1.25 -1.77 114.94 120.93 1ukm s ASN 24 Ca 0.13 0.61 -0.12 0.00 -0.94 0.00 0.00 52.86 52.54 1ukm s ASN 24 Cb 0.05 -0.93 0.18 0.00 -2.00 0.00 0.00 41.25 38.55 1ukm s ASN 24 CO -0.05 -2.41 1.76 -0.25 -2.94 0.00 0.00 177.10 173.21 1ukm h TRP 25 N -1.41 0.39 -0.52 1.54 7.01 -1.42 -0.54 115.95 120.99 1ukm h TRP 25 Ca -0.46 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.54 1ukm h TRP 25 Cb 1.29 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 28.23 1ukm h TRP 25 CO -0.35 0.15 0.24 1.88 -2.79 0.00 0.00 178.44 177.57 1ukm h TYR 26 N 0.42 0.76 -0.22 2.65 0.05 -1.93 -1.13 116.97 117.57 1ukm h TYR 26 Ca 0.25 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.88 1ukm h TYR 26 Cb 0.23 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1ukm h TYR 26 CO -0.14 0.60 -0.31 0.93 -1.05 0.00 0.00 178.16 178.19 1ukm h GLU 27 N 0.70 0.45 -0.18 4.88 5.08 -1.85 -1.26 114.58 122.40 1ukm h GLU 27 Ca 0.18 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ukm h GLU 27 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1ukm h GLU 27 CO -0.02 0.72 -0.05 0.00 -1.00 0.00 0.00 179.01 178.66 1ukm h ALA 28 N 1.28 0.25 -0.43 3.43 0.00 -0.84 -0.12 119.26 122.83 1ukm h ALA 28 Ca 0.05 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ukm h ALA 28 Cb 0.74 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1ukm h ALA 28 CO 0.06 0.03 0.26 1.49 0.00 0.00 0.00 179.25 181.09 1ukm h GLU 29 N 0.07 0.51 -0.41 0.00 4.57 -1.09 -0.55 114.58 117.67 1ukm h GLU 29 Ca 0.05 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1ukm h GLU 29 Cb 0.49 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1ukm h GLU 29 CO 0.02 0.34 0.24 -0.09 -1.18 0.00 0.00 179.01 178.34 1ukm h ARG 30 N 0.53 0.57 -0.30 1.92 2.43 -1.12 -0.73 114.38 117.67 1ukm h ARG 30 Ca 0.17 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1ukm h ARG 30 Cb -0.01 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.37 1ukm h ARG 30 CO -0.07 0.44 -0.06 0.35 -1.51 0.00 0.00 179.97 179.13 1ukm h PHE 31 N 0.54 -0.12 -0.87 2.20 3.57 -0.59 1.00 116.94 122.66 1ukm h PHE 31 Ca 0.15 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1ukm h PHE 31 Cb 0.03 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1ukm h PHE 31 CO -0.03 -0.11 0.58 0.00 -2.23 0.00 0.00 178.31 176.52 1ukm h THR 33 N 1.13 0.95 0.02 0.00 1.35 0.26 -3.04 112.91 113.58 1ukm h THR 33 Ca 0.34 -1.32 -0.30 0.00 -0.55 0.00 0.00 66.41 64.58 1ukm h THR 33 Cb -0.04 1.78 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 1ukm h THR 33 CO -0.09 0.33 -1.68 -0.33 -0.25 0.00 0.00 175.52 173.50 1ukm h GLU 34 N 0.00 0.05 -0.01 4.72 5.08 0.60 -3.38 114.58 121.63 1ukm h GLU 34 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ukm h GLU 34 Cb 0.75 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1ukm h GLU 34 CO 0.04 0.65 -0.14 1.04 -1.00 0.00 0.00 179.01 179.60 1ukm n GLN 35 N -3.14 1.27 -3.79 2.33 1.13 0.82 -4.89 117.38 111.11 1ukm n GLN 35 Ca -0.17 -0.77 -0.13 0.00 -1.94 0.00 0.00 57.00 53.99 1ukm n GLN 35 Cb 1.04 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 29.80 1ukm n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukm s ALA 36 N -2.26 -0.63 -0.06 -1.58 0.00 -1.15 -5.06 121.76 111.01 1ukm s ALA 36 Ca 0.30 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 1ukm s ALA 36 Cb 0.20 -0.23 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 1ukm s ALA 36 CO 0.43 -0.17 1.92 0.21 0.00 0.00 0.00 175.76 178.15 1ukm s LYS 37 N -0.44 3.90 -1.63 0.00 2.20 -1.26 -1.53 119.74 120.99 1ukm s LYS 37 Ca -0.05 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1ukm s LYS 37 Cb -0.04 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 1ukm s LYS 37 CO 0.01 -1.21 0.00 -0.25 -0.36 0.00 0.00 175.35 173.55 1ukm n ASP 38 N 8.41 -5.48 -4.83 1.43 10.43 -1.26 -4.67 116.55 120.57 1ukm n ASP 38 Ca 0.21 -0.01 -0.32 0.00 2.57 0.00 0.00 54.79 57.24 1ukm n ASP 38 Cb 0.43 -4.53 0.00 0.00 1.84 0.00 0.00 41.12 38.86 1ukm n ASP 38 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1ukm s GLY 39 N -2.15 1.91 0.20 0.44 0.00 -0.58 -4.66 107.32 102.48 1ukm s GLY 39 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.68 1ukm s GLY 39 CO 0.00 0.44 0.56 0.30 0.00 0.00 0.00 173.10 174.40 1ukm s HIS 40 N -2.79 -0.18 0.68 1.90 3.76 -0.81 -3.30 115.29 114.54 1ukm s HIS 40 Ca 0.59 -0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 55.17 1ukm s HIS 40 Cb -0.12 0.45 0.01 0.00 1.11 0.00 0.00 32.58 34.03 1ukm s HIS 40 CO 0.43 -0.95 1.24 1.28 -0.85 0.00 0.00 174.74 175.88 1ukm n LEU 41 N -0.36 5.47 -4.76 0.89 4.77 -1.26 -0.95 117.00 120.79 1ukm n LEU 41 Ca -0.10 0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 56.24 1ukm n LEU 41 Cb 0.62 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.19 1ukm n LEU 41 CO 0.16 -1.24 1.09 0.55 -1.33 0.00 0.00 177.39 176.62 1ukm n VAL 42 N -2.21 2.30 -4.67 4.08 3.14 0.28 -4.19 118.33 117.06 1ukm n VAL 42 Ca 0.15 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.70 1ukm n VAL 42 Cb 0.49 -1.89 -0.12 0.00 -1.06 0.00 0.00 33.84 31.25 1ukm n VAL 42 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1ukm s SER 43 N -0.27 4.47 -0.26 6.55 1.04 -1.26 -0.48 113.70 123.49 1ukm s SER 43 Ca 0.56 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.91 1ukm s SER 43 Cb -0.47 -1.23 0.06 0.00 0.10 0.00 0.00 66.02 64.47 1ukm s SER 43 CO 0.61 0.31 -0.10 -0.63 0.98 0.00 0.00 173.24 174.42 1ukm s ILE 44 N -0.52 2.28 -1.46 -1.02 1.01 -1.26 -4.98 121.20 115.25 1ukm s ILE 44 Ca 0.07 -1.57 0.15 0.00 0.00 0.00 0.00 60.65 59.30 1ukm s ILE 44 Cb -0.12 -2.32 0.33 0.00 0.01 0.00 0.00 42.46 40.37 1ukm s ILE 44 CO 0.02 -0.01 1.25 0.00 0.00 0.00 0.00 174.94 176.19 1ukm n GLN 45 N 4.47 2.34 -3.47 2.79 6.02 -1.26 -5.00 117.38 123.26 1ukm n GLN 45 Ca -0.14 -2.02 -0.10 0.00 -0.01 0.00 0.00 57.00 54.73 1ukm n GLN 45 Cb 0.43 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 1ukm n GLN 45 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ukm s SER 46 N -1.08 -0.44 0.31 1.08 1.04 -1.26 -5.02 113.70 108.33 1ukm s SER 46 Ca 0.28 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.70 1ukm s SER 46 Cb 0.15 0.47 0.51 0.00 0.10 0.00 0.00 66.02 67.25 1ukm s SER 46 CO 0.21 -0.76 1.96 -0.09 0.98 0.00 0.00 173.24 175.54 1ukm h ARG 47 N 2.00 1.01 -0.24 4.02 2.43 -1.99 -1.04 114.38 120.57 1ukm h ARG 47 Ca -0.27 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1ukm h ARG 47 Cb 1.27 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1ukm h ARG 47 CO 0.33 0.67 0.06 0.93 -1.51 0.00 0.00 179.97 180.46 1ukm h GLU 48 N 1.04 0.38 -0.55 0.20 3.07 -2.00 -1.17 114.58 115.55 1ukm h GLU 48 Ca 0.31 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1ukm h GLU 48 Cb -0.03 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 1ukm h GLU 48 CO -0.08 0.47 0.23 1.49 -1.40 0.00 0.00 179.01 179.72 1ukm h GLU 49 N 0.21 0.78 -0.71 2.33 4.81 -1.87 -1.70 114.58 118.43 1ukm h GLU 49 Ca 0.08 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1ukm h GLU 49 Cb 0.26 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1ukm h GLU 49 CO -0.00 0.63 0.26 0.78 -0.73 0.00 0.00 179.01 179.95 1ukm h GLY 50 N 0.90 1.13 1.31 1.92 0.00 -0.70 0.20 103.07 107.83 1ukm h GLY 50 Ca 0.19 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1ukm h GLY 50 CO -0.02 0.58 -0.24 3.43 0.00 0.00 0.00 176.54 180.29 1ukm h ASN 51 N 1.03 0.80 -0.13 0.19 2.35 -0.62 0.11 115.58 119.32 1ukm h ASN 51 Ca 0.24 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1ukm h ASN 51 Cb 0.22 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1ukm h ASN 51 CO -0.02 1.01 0.04 0.15 -1.65 0.00 0.00 177.43 176.97 1ukm h PHE 52 N 0.68 0.20 -0.69 1.19 3.57 -0.93 -1.33 116.94 119.63 1ukm h PHE 52 Ca 0.09 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1ukm h PHE 52 Cb 0.76 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1ukm h PHE 52 CO 0.04 0.31 0.23 0.28 -2.23 0.00 0.00 178.31 176.94 1ukm h VAL 53 N 0.03 1.25 -0.81 1.41 2.07 -0.80 0.38 116.25 119.78 1ukm h VAL 53 Ca 0.04 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1ukm h VAL 53 Cb 0.20 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1ukm h VAL 53 CO -0.00 0.33 0.47 0.00 0.02 0.00 0.00 177.57 178.38 1ukm h ALA 54 N 1.23 1.03 -0.38 1.67 0.00 -0.81 -1.26 119.26 120.74 1ukm h ALA 54 Ca 0.23 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ukm h ALA 54 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ukm h ALA 54 CO -0.01 0.52 -0.22 0.37 0.00 0.00 0.00 179.25 179.90 1ukm h GLN 55 N 1.11 0.75 -0.40 0.00 5.75 -0.67 -1.99 115.11 119.66 1ukm h GLN 55 Ca 0.29 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1ukm h GLN 55 Cb -0.01 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1ukm h GLN 55 CO -0.05 0.91 0.21 1.25 -2.65 0.00 0.00 178.83 178.50 1ukm h LEU 56 N 0.66 0.48 -3.08 -2.39 5.85 -0.06 -2.36 115.31 114.42 1ukm h LEU 56 Ca 0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ukm h LEU 56 Cb 0.73 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1ukm h LEU 56 CO 0.06 0.40 0.00 1.33 -0.34 0.00 0.00 178.44 179.88 1ukm n VAL 57 N -4.43 1.68 0.17 1.05 0.24 -0.56 -4.54 118.33 111.94 1ukm n VAL 57 Ca 0.03 -1.22 0.19 0.00 -2.04 0.00 0.00 64.34 61.29 1ukm n VAL 57 Cb 0.10 0.18 0.80 0.00 -1.47 0.00 0.00 33.84 33.45 1ukm n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ukm h SER 58 N 3.58 0.00 0.68 -1.34 4.64 -0.80 0.56 113.55 120.87 1ukm h SER 58 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1ukm h SER 58 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ukm h SER 58 CO 0.17 0.00 -0.16 1.23 -0.87 0.00 0.00 176.83 177.20 1ukm h GLY 59 N 0.00 0.00 1.46 -0.77 0.00 -1.82 -2.51 103.07 99.43 1ukm h GLY 59 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ukm h GLY 59 CO -0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1ukm n PHE 60 N -3.46 0.00 0.28 5.60 0.99 0.19 -3.34 117.46 117.72 1ukm n PHE 60 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.60 1ukm n PHE 60 Cb 0.34 -0.23 0.82 0.00 -1.00 0.00 0.00 39.48 39.40 1ukm n PHE 60 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 1ukm h MET 61 N 0.00 0.00 0.00 -1.08 2.86 -1.58 -2.41 114.93 112.72 1ukm h MET 61 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ukm h MET 61 Cb 0.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1ukm h MET 61 CO 0.00 0.07 -0.57 0.45 1.06 0.00 0.00 176.91 177.92 1ukm h HIS 62 N 0.00 0.00 -4.48 -0.22 3.86 -1.79 -3.47 115.15 109.05 1ukm h HIS 62 Ca -0.00 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.73 1ukm h HIS 62 Cb 0.29 0.00 0.10 0.00 1.06 0.00 0.00 27.41 28.85 1ukm h HIS 62 CO 0.00 0.05 0.39 1.03 0.86 0.00 0.00 177.93 180.26 1ukm s ARG 63 N -3.26 2.18 0.33 2.45 0.52 -0.91 -4.99 118.95 115.27 1ukm s ARG 63 Ca 0.03 0.32 0.17 0.00 -0.52 0.00 0.00 55.73 55.73 1ukm s ARG 63 Cb 0.07 -1.96 0.45 0.00 0.52 0.00 0.00 34.95 34.04 1ukm s ARG 63 CO 0.74 -1.48 1.62 0.66 0.02 0.00 0.00 175.30 176.86 1ukm h SER 64 N -0.98 0.00 -2.61 0.23 4.64 -1.90 -3.46 113.55 109.47 1ukm h SER 64 Ca -0.46 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.33 1ukm h SER 64 Cb 1.30 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.44 1ukm h SER 64 CO 0.64 0.46 1.01 -0.62 -0.87 0.00 0.00 176.83 177.44 1ukm n GLU 65 N -3.44 2.74 0.00 4.77 4.71 -1.26 -4.90 120.64 123.26 1ukm n GLU 65 Ca 0.00 0.99 0.12 0.00 -0.01 0.00 0.00 57.16 58.27 1ukm n GLU 65 Cb 0.60 -2.84 0.26 0.00 -1.01 0.00 0.00 31.44 28.45 1ukm n GLU 65 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1ukm n ILE 66 N 3.99 0.00 -4.16 -3.67 -5.35 -1.26 -4.86 119.36 104.05 1ukm n ILE 66 Ca 0.16 -0.18 -0.11 0.00 -0.27 0.00 0.00 62.75 62.35 1ukm n ILE 66 Cb 0.35 0.69 -0.10 0.00 -1.74 0.00 0.00 39.64 38.84 1ukm n ILE 66 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1ukm s TYR 67 N -2.46 0.86 -0.08 4.28 2.02 -1.26 -0.63 117.35 120.08 1ukm s TYR 67 Ca 0.23 -0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 1ukm s TYR 67 Cb 0.19 -0.50 0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1ukm s TYR 67 CO 0.52 -0.16 -0.02 0.08 -1.57 0.00 0.00 175.55 174.41 1ukm s VAL 68 N -3.48 0.52 0.42 0.71 1.01 -0.98 -4.26 120.40 114.34 1ukm s VAL 68 Ca 0.10 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 1ukm s VAL 68 Cb 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 1ukm s VAL 68 CO -0.05 0.28 1.42 0.26 0.00 0.00 0.00 175.10 177.02 1ukm s TRP 69 N 1.82 2.57 0.28 5.22 0.23 -0.64 0.18 118.94 128.60 1ukm s TRP 69 Ca 0.03 1.26 0.05 0.00 -2.03 0.00 0.00 56.10 55.42 1ukm s TRP 69 Cb -0.12 -3.91 -0.06 0.00 0.03 0.00 0.00 33.47 29.41 1ukm s TRP 69 CO -0.05 -2.79 -0.02 0.96 0.96 0.00 0.00 176.95 176.00 1ukm s ILE 70 N -1.18 1.43 -0.02 2.03 -4.36 -0.98 -3.29 121.20 114.83 1ukm s ILE 70 Ca 0.58 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1ukm s ILE 70 Cb -0.44 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 40.77 1ukm s ILE 70 CO 0.57 -0.24 0.98 0.61 0.24 0.00 0.00 174.94 177.10 1ukm n GLY 71 N -0.58 1.97 3.62 6.27 0.00 0.37 -4.62 105.19 112.22 1ukm n GLY 71 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1ukm n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ukm s LEU 72 N 0.00 3.69 0.19 0.99 2.96 -1.26 -4.98 118.68 120.27 1ukm s LEU 72 Ca 0.00 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.74 1ukm s LEU 72 Cb 0.00 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.83 1ukm s LEU 72 CO 0.00 0.20 0.69 0.00 -1.32 0.00 0.00 176.35 175.92 1ukm s ARG 73 N 0.20 1.43 -0.30 1.98 1.70 -1.26 -1.07 118.95 121.63 1ukm s ARG 73 Ca 0.03 -0.66 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 1ukm s ARG 73 Cb -0.13 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1ukm s ARG 73 CO 0.01 -0.64 0.20 0.34 -1.08 0.00 0.00 175.30 174.12 1ukm s ASP 74 N -2.81 5.91 0.00 -2.89 3.68 -0.35 -4.98 116.67 115.24 1ukm s ASP 74 Ca 0.06 -0.24 0.20 0.00 2.13 0.00 0.00 52.55 54.70 1ukm s ASP 74 Cb -0.03 -2.10 1.20 0.00 -1.45 0.00 0.00 42.92 40.54 1ukm s ASP 74 CO -0.04 -0.14 1.68 0.54 0.13 0.00 0.00 175.17 177.34 1ukm n ARG 75 N 5.06 0.86 -0.91 4.34 1.74 -1.26 -4.89 116.66 121.60 1ukm n ARG 75 Ca -0.14 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.65 1ukm n ARG 75 Cb 0.51 -1.36 0.17 0.00 -1.02 0.00 0.00 32.46 30.76 1ukm n ARG 75 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ukm s ARG 76 N -2.00 0.67 0.18 5.56 1.70 -1.26 -4.94 118.95 118.86 1ukm s ARG 76 Ca 0.30 1.02 0.09 0.00 -0.47 0.00 0.00 55.73 56.68 1ukm s ARG 76 Cb 0.14 -1.73 -0.05 0.00 -0.57 0.00 0.00 34.95 32.74 1ukm s ARG 76 CO 0.23 -2.70 1.37 1.49 -1.08 0.00 0.00 175.30 174.61 1ukm h GLU 77 N -1.89 0.00 -7.25 3.89 4.81 -1.97 -3.46 114.58 108.71 1ukm h GLU 77 Ca -0.51 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.21 1ukm h GLU 77 Cb 1.29 0.00 0.14 0.00 0.63 0.00 0.00 28.75 30.81 1ukm h GLU 77 CO 0.50 0.84 0.33 -1.21 -0.73 0.00 0.00 179.01 178.74 1ukm s GLU 78 N -2.92 2.16 0.00 1.92 8.01 -1.26 -4.96 118.70 121.66 1ukm s GLU 78 Ca 0.01 1.41 0.31 0.00 0.01 0.00 0.00 54.97 56.71 1ukm s GLU 78 Cb 0.10 -1.87 1.60 0.00 -4.31 0.00 0.00 34.13 29.65 1ukm s GLU 78 CO 0.79 -1.75 2.05 1.04 0.01 0.00 0.00 175.26 177.41 1ukm n GLN 79 N -3.19 1.19 -3.84 1.61 6.02 -1.26 -4.90 117.38 113.02 1ukm n GLN 79 Ca 0.11 -0.32 -0.08 0.00 -0.01 0.00 0.00 57.00 56.69 1ukm n GLN 79 Cb 0.52 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1ukm n GLN 79 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1ukm s GLN 80 N -2.03 2.03 -0.24 -1.09 0.00 -1.26 -4.35 119.66 112.73 1ukm s GLN 80 Ca 0.44 -1.25 0.05 0.00 -0.00 0.00 0.00 55.36 54.60 1ukm s GLN 80 Cb 0.22 0.62 -0.18 0.00 0.00 0.00 0.00 33.01 33.66 1ukm s GLN 80 CO 0.36 -0.94 -0.16 0.00 0.00 0.00 0.00 175.29 174.55 1ukm n ASN 82 N -3.13 3.45 0.18 0.00 2.85 -1.26 -4.88 115.26 112.47 1ukm n ASN 82 Ca -0.42 0.98 0.13 0.00 -0.11 0.00 0.00 54.58 55.17 1ukm n ASN 82 Cb 1.00 -1.39 0.38 0.00 1.24 0.00 0.00 39.78 41.02 1ukm n ASN 82 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ukm h PRO 83 N 8.89 0.00 -4.42 1.20 0.13 -1.94 -3.44 132.00 132.41 1ukm h PRO 83 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 1ukm h PRO 83 Cb 1.27 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.21 1ukm h PRO 83 CO 0.94 0.00 -0.71 -1.21 -0.23 0.00 0.00 178.00 176.79 1ukm s GLU 84 N -3.26 0.58 0.91 0.86 2.02 -1.26 -1.74 118.70 116.80 1ukm s GLU 84 Ca 0.07 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.99 1ukm s GLU 84 Cb 0.09 -0.12 0.14 0.00 0.10 0.00 0.00 34.13 34.34 1ukm s GLU 84 CO 0.58 -0.01 1.14 -1.58 0.02 0.00 0.00 175.26 175.41 1ukm s TRP 85 N -2.36 2.52 0.42 1.61 0.52 0.45 -4.85 118.94 117.26 1ukm s TRP 85 Ca -0.03 0.86 0.17 0.00 0.02 0.00 0.00 56.10 57.12 1ukm s TRP 85 Cb -0.03 -3.38 1.07 0.00 -1.15 0.00 0.00 33.47 29.98 1ukm s TRP 85 CO -0.03 -2.35 1.88 -2.95 0.02 0.00 0.00 176.95 173.52 1ukm h ASN 86 N -1.49 0.40 -0.18 2.95 -1.07 -2.01 -0.86 115.58 113.31 1ukm h ASN 86 Ca -0.50 0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.90 1ukm h ASN 86 Cb 1.33 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 1ukm h ASN 86 CO 0.62 0.18 0.00 -0.90 0.07 0.00 0.00 177.43 177.40 1ukm n ASP 87 N -4.49 1.12 0.00 6.14 3.85 -1.26 -4.91 116.55 116.99 1ukm n ASP 87 Ca 0.17 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.38 1ukm n ASP 87 Cb 0.64 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 1ukm n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ukm n GLY 88 N 0.89 2.75 3.77 6.12 0.00 -0.33 -5.05 105.19 113.34 1ukm n GLY 88 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1ukm n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ukm s SER 89 N -1.48 5.07 0.35 1.61 1.04 -1.26 -4.68 113.70 114.35 1ukm s SER 89 Ca 0.00 1.99 -0.27 0.00 0.48 0.00 0.00 55.95 58.15 1ukm s SER 89 Cb 0.00 -2.55 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 1ukm s SER 89 CO 0.00 -1.66 1.17 -0.54 0.98 0.00 0.00 173.24 173.19 1ukm s LYS 90 N -4.13 4.29 -0.32 4.02 -0.14 -1.26 -0.41 119.74 121.78 1ukm s LYS 90 Ca 0.67 1.88 -0.21 0.00 -1.36 0.00 0.00 55.97 56.94 1ukm s LYS 90 Cb -0.20 -2.89 -0.00 0.00 -1.68 0.00 0.00 37.83 33.05 1ukm s LYS 90 CO 0.42 -0.13 0.69 0.42 -0.76 0.00 0.00 175.35 176.00 1ukm s ILE 91 N -1.31 4.87 0.00 2.17 1.01 -0.71 -4.73 121.20 122.49 1ukm s ILE 91 Ca 0.52 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1ukm s ILE 91 Cb -0.32 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1ukm s ILE 91 CO 0.41 -0.23 0.00 -0.38 0.00 0.00 0.00 174.94 174.74 1ukm n ILE 92 N 5.50 0.00 -2.03 2.92 2.08 -1.26 -4.93 119.36 121.64 1ukm n ILE 92 Ca 0.01 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.90 1ukm n ILE 92 Cb 0.49 -0.45 -0.03 0.00 -0.75 0.00 0.00 39.64 38.90 1ukm n ILE 92 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1ukm s TYR 93 N -0.76 3.04 0.05 1.39 5.04 -1.26 -5.00 117.35 119.85 1ukm s TYR 93 Ca 0.00 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 1ukm s TYR 93 Cb 0.00 -3.84 -0.03 0.00 0.35 0.00 0.00 41.96 38.45 1ukm s TYR 93 CO 0.00 -3.07 0.01 0.14 -1.34 0.00 0.00 175.55 171.29 1ukm s VAL 94 N 1.36 0.18 -0.39 3.14 -7.23 -1.26 -5.11 120.40 111.09 1ukm s VAL 94 Ca 0.68 -1.50 0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1ukm s VAL 94 Cb -0.40 -1.21 0.31 0.00 0.56 0.00 0.00 36.38 35.63 1ukm s VAL 94 CO 0.31 -0.83 0.70 -3.20 -0.31 0.00 0.00 175.10 171.77 1ukm n ASN 95 N 0.43 0.11 -4.77 4.85 5.15 -1.26 -5.12 115.26 114.65 1ukm n ASN 95 Ca -0.16 -2.98 -0.38 0.00 -0.60 0.00 0.00 54.58 50.45 1ukm n ASN 95 Cb 0.60 -0.26 -0.04 0.00 -0.53 0.00 0.00 39.78 39.55 1ukm n ASN 95 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1ukm s TRP 96 N -1.59 3.37 0.76 1.20 0.52 -1.26 -5.02 118.94 116.92 1ukm s TRP 96 Ca 0.36 1.66 -0.12 0.00 0.02 0.00 0.00 56.10 58.02 1ukm s TRP 96 Cb 0.28 -3.24 0.05 0.00 -1.15 0.00 0.00 33.47 29.41 1ukm s TRP 96 CO -0.10 -0.70 1.11 0.21 0.02 0.00 0.00 176.95 177.50 1ukm s LYS 97 N -2.01 2.23 0.26 4.98 2.20 -1.26 -4.87 119.74 121.27 1ukm s LYS 97 Ca 0.52 1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 57.14 1ukm s LYS 97 Cb -0.28 -1.88 -0.13 0.00 -1.51 0.00 0.00 37.83 34.02 1ukm s LYS 97 CO 0.35 -1.68 1.33 -0.85 -0.36 0.00 0.00 175.35 174.14 1ukm n GLU 98 N -3.27 1.91 -0.02 4.03 0.00 -1.26 -1.22 120.64 120.82 1ukm n GLU 98 Ca 0.10 0.68 0.00 0.00 0.00 0.00 0.00 57.16 57.94 1ukm n GLU 98 Cb 0.52 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.68 1ukm n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ukm n GLY 99 N 1.79 1.87 0.17 -1.84 0.00 -1.26 -4.89 105.19 101.02 1ukm n GLY 99 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1ukm n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ukm n GLU 100 N -2.00 0.56 -3.22 1.61 -0.58 -0.36 -4.46 120.64 112.20 1ukm n GLU 100 Ca 0.00 -0.33 -0.40 0.00 -0.42 0.00 0.00 57.16 56.00 1ukm n GLU 100 Cb 0.00 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.30 1ukm n GLU 100 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ukm s SER 101 N -2.67 6.43 -0.42 1.62 0.15 -1.26 -4.95 113.70 112.61 1ukm s SER 101 Ca 0.20 0.44 0.02 0.00 0.70 0.00 0.00 55.95 57.31 1ukm s SER 101 Cb 0.19 -2.29 0.12 0.00 -1.71 0.00 0.00 66.02 62.33 1ukm s SER 101 CO 0.58 -0.34 0.19 -0.54 1.20 0.00 0.00 173.24 174.33 1ukm s LYS 102 N 2.37 1.36 0.00 5.44 1.02 -1.26 -4.12 119.74 124.55 1ukm s LYS 102 Ca 0.22 -1.95 0.07 0.00 0.02 0.00 0.00 55.97 54.33 1ukm s LYS 102 Cb -0.15 -2.62 0.12 0.00 -0.52 0.00 0.00 37.83 34.65 1ukm s LYS 102 CO 0.10 -1.08 0.93 -1.33 -0.92 0.00 0.00 175.35 173.05 1ukm n MET 103 N 3.81 1.39 -4.42 1.68 2.81 -1.15 -4.39 117.12 116.84 1ukm n MET 103 Ca 0.05 -1.36 -0.25 0.00 -1.81 0.00 0.00 57.70 54.34 1ukm n MET 103 Cb 0.36 -1.15 -0.11 0.00 -0.71 0.00 0.00 33.22 31.62 1ukm n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ukm s GLN 105 N -3.01 1.45 0.09 0.00 -0.21 -0.23 0.66 119.66 118.42 1ukm s GLN 105 Ca 0.23 -1.39 -0.05 0.00 0.02 0.00 0.00 55.36 54.16 1ukm s GLN 105 Cb -0.06 -1.90 -0.02 0.00 1.00 0.00 0.00 33.01 32.03 1ukm s GLN 105 CO 0.11 0.44 0.12 0.20 -2.12 0.00 0.00 175.29 174.03 1ukm s GLY 106 N -2.23 0.36 0.45 3.09 0.00 -0.71 -2.32 107.32 105.96 1ukm s GLY 106 Ca 0.16 -0.93 -0.22 0.00 0.00 0.00 0.00 44.72 43.73 1ukm s GLY 106 CO 0.07 -1.03 1.09 1.08 0.00 0.00 0.00 173.10 174.31 1ukm s LEU 107 N -2.91 4.00 -0.16 0.66 1.43 0.13 -1.10 118.68 120.71 1ukm s LEU 107 Ca 0.09 2.11 -0.07 0.00 -1.03 0.00 0.00 54.13 55.24 1ukm s LEU 107 Cb 0.06 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 1ukm s LEU 107 CO -0.08 -0.76 0.06 0.42 0.23 0.00 0.00 176.35 176.22 1ukm s THR 108 N -1.71 4.75 0.41 5.49 -4.23 -0.29 -2.31 115.64 117.75 1ukm s THR 108 Ca 0.63 -0.05 0.07 0.00 -1.18 0.00 0.00 61.69 61.16 1ukm s THR 108 Cb -0.23 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.77 1ukm s THR 108 CO 0.28 0.49 2.04 0.50 -0.54 0.00 0.00 174.62 177.39 1ukm h LYS 109 N 6.37 0.56 0.00 3.99 3.64 -1.20 0.27 116.57 130.19 1ukm h LYS 109 Ca -0.40 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1ukm h LYS 109 Cb 1.18 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1ukm h LYS 109 CO 0.67 0.37 -0.04 -1.49 -2.27 0.00 0.00 179.45 176.69 1ukm h TRP 110 N 0.57 0.00 -0.51 1.91 4.06 -1.95 -1.28 115.95 118.76 1ukm h TRP 110 Ca 0.18 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.95 1ukm h TRP 110 Cb 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.07 1ukm h TRP 110 CO -0.00 0.04 0.13 0.25 -3.56 0.00 0.00 178.44 175.30 1ukm n THR 111 N -3.96 2.67 -3.32 1.49 -2.24 -0.96 -4.91 114.28 103.06 1ukm n THR 111 Ca -0.03 -2.11 -0.24 0.00 -2.27 0.00 0.00 64.05 59.40 1ukm n THR 111 Cb 0.13 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1ukm n THR 111 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ukm n ASN 112 N -0.69 -5.19 -2.53 3.42 3.02 -0.48 -2.42 115.26 110.39 1ukm n ASN 112 Ca 0.35 -0.42 -0.17 0.00 -0.03 0.00 0.00 54.58 54.32 1ukm n ASN 112 Cb 1.17 -4.19 0.05 0.00 -0.61 0.00 0.00 39.78 36.19 1ukm n ASN 112 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1ukm n PHE 113 N -4.40 -1.84 -0.12 3.10 0.99 0.90 -4.82 117.46 111.28 1ukm n PHE 113 Ca -0.05 0.61 -0.25 0.00 -0.00 0.00 0.00 57.45 57.76 1ukm n PHE 113 Cb 0.58 -3.74 -0.08 0.00 -1.00 0.00 0.00 39.48 35.23 1ukm n PHE 113 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1ukm n HIS 114 N -4.24 0.00 -2.08 1.38 8.25 -1.01 -4.32 115.22 113.19 1ukm n HIS 114 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 1ukm n HIS 114 Cb 0.56 -0.83 0.03 0.00 1.12 0.00 0.00 29.99 30.87 1ukm n HIS 114 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ukm s ASP 115 N -7.06 5.67 0.15 0.41 -0.00 -1.26 -4.88 116.67 109.70 1ukm s ASP 115 Ca -0.32 1.05 0.09 0.00 -0.00 0.00 0.00 52.55 53.37 1ukm s ASP 115 Cb 0.12 -1.98 -0.04 0.00 -0.00 0.00 0.00 42.92 41.03 1ukm s ASP 115 CO 0.41 -1.13 -0.16 0.26 -0.00 0.00 0.00 175.17 174.54 1ukm s TRP 116 N -3.18 2.53 0.02 4.23 0.51 -1.26 -1.14 118.94 120.65 1ukm s TRP 116 Ca 0.56 -0.26 0.01 0.00 -2.12 0.00 0.00 56.10 54.28 1ukm s TRP 116 Cb -0.11 -1.29 -0.02 0.00 -0.81 0.00 0.00 33.47 31.25 1ukm s TRP 116 CO 0.50 0.45 -0.05 1.21 -0.51 0.00 0.00 176.95 178.56 1ukm s ASN 117 N -2.49 0.47 0.00 2.95 2.47 -0.26 -4.92 114.94 113.16 1ukm s ASN 117 Ca 0.21 -0.40 -0.26 0.00 0.42 0.00 0.00 52.86 52.83 1ukm s ASN 117 Cb -0.09 0.04 -0.04 0.00 -1.45 0.00 0.00 41.25 39.71 1ukm s ASN 117 CO 0.12 -0.18 0.80 0.54 -3.72 0.00 0.00 177.10 174.65 1ukm s ASN 118 N -1.14 7.18 0.30 -4.21 4.22 -1.26 -1.74 114.94 118.29 1ukm s ASN 118 Ca -0.10 1.42 0.05 0.00 -2.14 0.00 0.00 52.86 52.10 1ukm s ASN 118 Cb -0.08 -2.48 -0.03 0.00 1.28 0.00 0.00 41.25 39.94 1ukm s ASN 118 CO -0.00 -0.08 0.23 0.27 -2.04 0.00 0.00 177.10 175.47 1ukm s ILE 119 N 0.43 0.04 -0.14 0.54 -4.36 0.21 -4.89 121.20 113.04 1ukm s ILE 119 Ca 0.41 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.51 1ukm s ILE 119 Cb -0.20 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.97 1ukm s ILE 119 CO 0.23 0.00 1.83 0.21 0.24 0.00 0.00 174.94 177.44 1ukm s ASN 120 N -3.33 6.24 0.55 4.36 2.47 -1.26 -2.72 114.94 121.26 1ukm s ASN 120 Ca 0.39 2.00 0.27 0.00 0.42 0.00 0.00 52.86 55.95 1ukm s ASN 120 Cb 0.04 -2.53 1.46 0.00 -1.45 0.00 0.00 41.25 38.77 1ukm s ASN 120 CO 0.23 -1.31 1.98 0.00 -3.72 0.00 0.00 177.10 174.27 1ukm n GLU 122 N -4.14 0.10 -1.64 0.00 1.02 -1.26 -1.49 120.64 113.24 1ukm n GLU 122 Ca 0.09 -0.03 -0.33 0.00 -0.02 0.00 0.00 57.16 56.87 1ukm n GLU 122 Cb 0.62 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.60 1ukm n GLU 122 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ukm s ASP 123 N -2.92 4.84 -0.23 1.62 1.11 -0.49 -4.68 116.67 115.92 1ukm s ASP 123 Ca 0.15 2.06 -0.09 0.00 0.18 0.00 0.00 52.55 54.85 1ukm s ASP 123 Cb 0.19 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.58 1ukm s ASP 123 CO 0.58 -1.81 0.11 -0.76 1.18 0.00 0.00 175.17 174.47 1ukm s LEU 124 N -5.03 3.81 0.08 1.23 1.43 -1.26 -3.79 118.68 115.15 1ukm s LEU 124 Ca 0.68 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.68 1ukm s LEU 124 Cb -0.22 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1ukm s LEU 124 CO 0.44 0.06 0.21 -0.31 0.23 0.00 0.00 176.35 176.97 1ukm s TYR 125 N 1.07 0.11 1.03 0.29 2.02 -0.73 -4.74 117.35 116.39 1ukm s TYR 125 Ca 0.05 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.12 1ukm s TYR 125 Cb -0.14 -0.03 0.20 0.00 -0.40 0.00 0.00 41.96 41.60 1ukm s TYR 125 CO 0.04 -0.54 1.13 -1.25 -1.57 0.00 0.00 175.55 173.36 1ukm s PRO 126 N -3.63 0.15 0.39 -1.71 0.04 -1.26 -1.77 135.00 127.21 1ukm s PRO 126 Ca 0.03 0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.15 1ukm s PRO 126 Cb 0.04 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.90 1ukm s PRO 126 CO -0.10 -2.85 0.75 -0.59 0.04 0.00 0.00 177.00 174.25 1ukm s PHE 127 N -3.13 0.29 -0.05 0.56 -0.12 -0.50 -1.62 117.98 113.41 1ukm s PHE 127 Ca 0.67 -0.91 0.03 0.00 -0.05 0.00 0.00 56.93 56.67 1ukm s PHE 127 Cb -0.14 0.71 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 1ukm s PHE 127 CO 0.56 -1.53 -0.11 0.08 -0.05 0.00 0.00 175.22 174.16 1ukm s VAL 128 N -2.30 1.00 0.20 -2.49 1.01 -1.21 0.53 120.40 117.14 1ukm s VAL 128 Ca 0.18 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1ukm s VAL 128 Cb -0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1ukm s VAL 128 CO 0.13 0.31 0.21 0.00 0.00 0.00 0.00 175.10 175.76 1ukm s LYS 130 N -3.52 0.52 0.13 0.00 2.20 -0.12 -1.82 119.74 117.13 1ukm s LYS 130 Ca 0.33 0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.92 1ukm s LYS 130 Cb -0.09 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.50 1ukm s LYS 130 CO 0.26 -0.11 0.40 -0.59 -0.36 0.00 0.00 175.35 174.94 1ukm s PHE 131 N -0.55 -0.18 -0.00 4.03 -0.71 -0.58 -1.93 117.98 118.05 1ukm s PHE 131 Ca -0.07 -0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.44 1ukm s PHE 131 Cb -0.04 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 1ukm s PHE 131 CO 0.02 -0.71 0.74 0.45 -1.34 0.00 0.00 175.22 174.39 1ukm s SER 132 N -2.81 7.12 0.00 1.98 0.15 -1.26 -0.95 113.70 117.93 1ukm s SER 132 Ca 0.03 1.35 0.31 0.00 0.70 0.00 0.00 55.95 58.34 1ukm s SER 132 Cb 0.02 -2.45 1.62 0.00 -1.71 0.00 0.00 66.02 63.50 1ukm s SER 132 CO -0.11 -0.05 2.07 0.00 1.20 0.00 0.00 173.24 176.35