#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukm s PRO 2 N 0.00 1.65 0.08 0.00 0.04 -1.26 -4.84 135.00 130.67 1ukm s PRO 2 Ca 0.00 0.98 -0.37 0.00 0.04 0.00 0.00 61.00 61.65 1ukm s PRO 2 Cb 0.00 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.53 1ukm s PRO 2 CO 0.00 -2.01 1.32 -0.11 0.04 0.00 0.00 177.00 176.24 1ukm n LEU 3 N -3.75 1.56 0.00 -3.56 7.94 -1.26 -0.79 117.00 117.15 1ukm n LEU 3 Ca 0.08 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1ukm n LEU 3 Cb 0.54 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.32 1ukm n LEU 3 CO 0.55 -1.09 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 1ukm n GLY 4 N 2.46 2.34 3.82 -3.96 0.00 -1.26 -5.03 105.19 103.56 1ukm n GLY 4 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1ukm n GLY 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ukm s TRP 5 N -2.28 3.41 -0.03 1.61 0.52 0.03 -4.77 118.94 117.43 1ukm s TRP 5 Ca 0.00 0.32 -0.01 0.00 0.02 0.00 0.00 56.10 56.44 1ukm s TRP 5 Cb 0.00 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1ukm s TRP 5 CO 0.00 0.61 0.04 -1.12 0.02 0.00 0.00 176.95 176.50 1ukm s SER 6 N -1.48 5.42 -0.11 2.95 0.01 0.49 -4.66 113.70 116.33 1ukm s SER 6 Ca 0.20 0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.45 1ukm s SER 6 Cb -0.12 -1.52 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 1ukm s SER 6 CO 0.11 0.31 0.30 -0.55 0.41 0.00 0.00 173.24 173.82 1ukm s SER 7 N -1.39 6.54 -0.21 2.44 0.15 -1.26 -0.60 113.70 119.37 1ukm s SER 7 Ca 0.19 0.63 -0.07 0.00 0.70 0.00 0.00 55.95 57.40 1ukm s SER 7 Cb -0.12 -2.18 0.10 0.00 -1.71 0.00 0.00 66.02 62.11 1ukm s SER 7 CO 0.09 0.22 0.43 0.12 1.20 0.00 0.00 173.24 175.30 1ukm s PHE 8 N -0.27 -0.84 -1.12 3.44 5.36 -0.45 -4.98 117.98 119.12 1ukm s PHE 8 Ca 0.18 1.50 -0.26 0.00 -0.96 0.00 0.00 56.93 57.39 1ukm s PHE 8 Cb -0.14 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1ukm s PHE 8 CO 0.07 -0.52 0.68 -3.47 -1.46 0.00 0.00 175.22 170.52 1ukm n ASP 9 N 5.39 -4.44 0.00 6.13 2.03 -1.26 -1.05 116.55 123.36 1ukm n ASP 9 Ca -0.08 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1ukm n ASP 9 Cb 0.49 -1.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 1ukm n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ukm n GLN 10 N -4.45 -0.99 -4.45 -0.67 6.02 -1.26 -4.98 117.38 106.60 1ukm n GLN 10 Ca -0.15 0.25 -0.25 0.00 -0.01 0.00 0.00 57.00 56.84 1ukm n GLN 10 Cb 0.59 -4.28 -0.10 0.00 1.02 0.00 0.00 30.24 27.47 1ukm n GLN 10 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1ukm s HIS 11 N -1.46 2.31 -0.10 1.08 3.76 -0.21 -0.78 115.29 119.89 1ukm s HIS 11 Ca 0.00 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 1ukm s HIS 11 Cb 0.00 -1.03 -0.01 0.00 1.11 0.00 0.00 32.58 32.65 1ukm s HIS 11 CO 0.00 0.67 -0.19 0.00 -0.85 0.00 0.00 174.74 174.37 1ukm s TYR 13 N 0.20 1.95 -0.23 0.00 1.51 0.23 -2.04 117.35 118.97 1ukm s TYR 13 Ca -0.12 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.40 1ukm s TYR 13 Cb -0.16 -1.04 0.07 0.00 -0.11 0.00 0.00 41.96 40.72 1ukm s TYR 13 CO 0.06 0.28 0.57 0.21 -1.11 0.00 0.00 175.55 175.56 1ukm s LYS 14 N -2.15 0.57 -0.11 -0.62 2.20 -0.95 -0.38 119.74 118.30 1ukm s LYS 14 Ca 0.11 1.06 -0.14 0.00 -0.36 0.00 0.00 55.97 56.64 1ukm s LYS 14 Cb -0.09 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 1ukm s LYS 14 CO 0.05 -0.16 0.34 0.08 -0.36 0.00 0.00 175.35 175.30 1ukm s VAL 15 N 1.65 5.24 -0.19 4.02 1.01 -1.26 -1.24 120.40 129.62 1ukm s VAL 15 Ca -0.09 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 1ukm s VAL 15 Cb -0.07 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1ukm s VAL 15 CO -0.17 0.45 -0.05 -0.36 0.00 0.00 0.00 175.10 174.97 1ukm s PHE 16 N -0.04 2.95 -0.05 5.22 0.40 0.12 -5.00 117.98 121.58 1ukm s PHE 16 Ca 0.20 -0.70 -0.24 0.00 -0.60 0.00 0.00 56.93 55.59 1ukm s PHE 16 Cb -0.14 -2.02 -0.25 0.00 0.51 0.00 0.00 43.02 41.12 1ukm s PHE 16 CO 0.07 -0.35 1.01 1.49 0.70 0.00 0.00 175.22 178.14 1ukm h GLU 17 N 7.50 0.22 -6.07 0.44 4.81 -1.86 -2.41 114.58 117.21 1ukm h GLU 17 Ca -0.36 -0.26 -0.67 0.00 -0.13 0.00 0.00 59.36 57.95 1ukm h GLU 17 Cb 1.18 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ukm h GLU 17 CO 0.60 1.00 1.28 -2.30 -0.73 0.00 0.00 179.01 178.85 1ukm n PRO 18 N -4.41 1.34 -1.71 0.92 -0.02 -1.26 -4.39 135.00 125.47 1ukm n PRO 18 Ca -0.10 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 1ukm n PRO 18 Cb 0.57 -2.47 0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1ukm n PRO 18 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1ukm n VAL 19 N 6.40 3.16 -3.62 -1.45 0.24 -1.26 -4.74 118.33 117.06 1ukm n VAL 19 Ca 0.35 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1ukm n VAL 19 Cb 0.23 -1.56 -0.05 0.00 -1.47 0.00 0.00 33.84 30.99 1ukm n VAL 19 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ukm s LYS 20 N -2.53 1.06 0.79 7.34 -0.14 -0.78 -4.77 119.74 120.71 1ukm s LYS 20 Ca 0.67 -0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 54.53 1ukm s LYS 20 Cb -0.46 0.47 0.06 0.00 -1.68 0.00 0.00 37.83 36.22 1ukm s LYS 20 CO 0.54 -0.41 1.12 0.54 -0.76 0.00 0.00 175.35 176.38 1ukm s ASN 21 N -2.66 4.67 0.21 2.83 2.20 -1.23 -0.82 114.94 120.15 1ukm s ASN 21 Ca 0.01 1.09 -0.09 0.00 -0.94 0.00 0.00 52.86 52.93 1ukm s ASN 21 Cb 0.01 -1.77 0.30 0.00 -2.00 0.00 0.00 41.25 37.79 1ukm s ASN 21 CO -0.10 -1.83 1.73 -0.25 -2.94 0.00 0.00 177.10 173.71 1ukm h TRP 22 N -0.99 0.34 -0.39 1.54 7.01 -1.53 -1.69 115.95 120.24 1ukm h TRP 22 Ca -0.47 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.44 1ukm h TRP 22 Cb 1.29 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.27 1ukm h TRP 22 CO 0.42 0.05 -0.28 1.79 -2.79 0.00 0.00 178.44 177.63 1ukm h THR 23 N 0.36 1.28 0.00 2.65 1.35 -1.93 -1.11 112.91 115.50 1ukm h THR 23 Ca 0.32 -1.42 -0.13 0.00 -0.55 0.00 0.00 66.41 64.62 1ukm h THR 23 Cb 0.44 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1ukm h THR 23 CO -0.35 0.47 -0.64 1.05 -0.25 0.00 0.00 175.52 175.81 1ukm h GLU 24 N 0.70 0.00 -0.51 4.72 4.11 -1.90 -1.56 114.58 120.15 1ukm h GLU 24 Ca 0.08 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.40 1ukm h GLU 24 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1ukm h GLU 24 CO 0.07 0.64 -0.14 0.00 0.07 0.00 0.00 179.01 179.65 1ukm h ALA 25 N 1.36 0.70 -0.57 1.06 0.00 -1.07 0.23 119.26 120.96 1ukm h ALA 25 Ca -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1ukm h ALA 25 Cb 1.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1ukm h ALA 25 CO 0.08 0.63 0.16 1.49 0.00 0.00 0.00 179.25 181.61 1ukm h GLU 26 N 0.85 0.91 -0.24 0.00 4.57 -1.01 -1.09 114.58 118.56 1ukm h GLU 26 Ca 0.13 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1ukm h GLU 26 Cb 0.71 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1ukm h GLU 26 CO 0.05 0.83 0.09 0.93 -1.18 0.00 0.00 179.01 179.73 1ukm h GLU 27 N 0.81 0.35 -0.81 1.92 5.08 -0.99 -1.27 114.58 119.68 1ukm h GLU 27 Ca 0.18 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1ukm h GLU 27 Cb 0.32 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1ukm h GLU 27 CO -0.00 0.41 0.53 0.82 -1.00 0.00 0.00 179.01 179.77 1ukm h ILE 28 N 0.23 1.06 -0.26 3.13 2.04 -0.77 -1.15 117.51 121.79 1ukm h ILE 28 Ca 0.08 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1ukm h ILE 28 Cb 0.19 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1ukm h ILE 28 CO -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 178.15 178.28 1ukm h MET 30 N 0.25 0.01 -0.07 0.00 2.86 -0.36 -2.41 114.93 115.21 1ukm h MET 30 Ca 0.07 -0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.54 1ukm h MET 30 Cb 0.49 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1ukm h MET 30 CO 0.02 0.04 -0.70 1.96 1.06 0.00 0.00 176.91 179.29 1ukm h GLN 31 N 0.01 0.34 0.00 1.72 4.20 -1.02 -3.29 115.11 117.07 1ukm h GLN 31 Ca 0.00 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 1ukm h GLN 31 Cb 0.06 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1ukm h GLN 31 CO 0.00 0.91 -0.13 1.96 -0.67 0.00 0.00 178.83 180.90 1ukm h GLN 32 N 0.23 0.00 -1.40 1.46 1.08 -1.10 -3.46 115.11 111.92 1ukm h GLN 32 Ca -0.02 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.43 1ukm h GLN 32 Cb 1.26 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.50 1ukm h GLN 32 CO 0.12 0.13 0.83 -1.58 -0.95 0.00 0.00 178.83 177.38 1ukm s HIS 33 N -4.58 -0.12 0.22 2.96 2.46 -1.24 -5.08 115.29 109.91 1ukm s HIS 33 Ca -0.04 0.08 -0.30 0.00 0.47 0.00 0.00 55.06 55.27 1ukm s HIS 33 Cb 0.15 0.51 -0.10 0.00 -0.13 0.00 0.00 32.58 33.02 1ukm s HIS 33 CO 0.65 -0.17 1.42 0.21 -2.47 0.00 0.00 174.74 174.38 1ukm s LYS 34 N -2.25 4.29 0.00 2.88 2.20 -1.26 -2.41 119.74 123.19 1ukm s LYS 34 Ca 0.09 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1ukm s LYS 34 Cb -0.01 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1ukm s LYS 34 CO -0.04 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1ukm n GLY 35 N 2.54 0.52 3.74 5.54 0.00 -1.26 -4.78 105.19 111.49 1ukm n GLY 35 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1ukm n GLY 35 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ukm s SER 36 N -2.21 6.86 0.29 1.61 0.15 -1.01 -4.38 113.70 115.02 1ukm s SER 36 Ca 0.00 1.02 -0.10 0.00 0.70 0.00 0.00 55.95 57.58 1ukm s SER 36 Cb 0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1ukm s SER 36 CO 0.00 0.03 0.51 -0.13 1.20 0.00 0.00 173.24 174.85 1ukm s ARG 37 N 0.28 1.75 0.40 5.44 0.52 -0.82 -2.80 118.95 123.72 1ukm s ARG 37 Ca 0.30 -1.44 -0.27 0.00 -0.52 0.00 0.00 55.73 53.80 1ukm s ARG 37 Cb -0.17 0.48 -0.10 0.00 0.52 0.00 0.00 34.95 35.68 1ukm s ARG 37 CO 0.14 -0.74 1.38 1.28 0.02 0.00 0.00 175.30 177.39 1ukm n LEU 38 N -0.46 4.44 -4.72 2.53 4.77 -1.26 -0.92 117.00 121.38 1ukm n LEU 38 Ca -0.02 1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 56.72 1ukm n LEU 38 Cb 0.62 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1ukm n LEU 38 CO 0.25 -0.23 1.14 0.00 -1.33 0.00 0.00 177.39 177.22 1ukm s ALA 39 N -1.15 3.67 0.34 -1.18 0.00 -0.49 -4.03 121.76 118.92 1ukm s ALA 39 Ca 0.57 1.26 -0.13 0.00 0.00 0.00 0.00 51.96 53.66 1ukm s ALA 39 Cb -0.50 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 18.97 1ukm s ALA 39 CO 0.61 -0.70 0.73 -1.54 0.00 0.00 0.00 175.76 174.85 1ukm s SER 40 N 0.95 6.69 -0.27 0.00 1.04 -1.26 -0.15 113.70 120.70 1ukm s SER 40 Ca 0.66 1.21 0.02 0.00 0.48 0.00 0.00 55.95 58.31 1ukm s SER 40 Cb -0.41 -2.34 0.07 0.00 0.10 0.00 0.00 66.02 63.44 1ukm s SER 40 CO 0.33 -0.25 -0.04 -0.63 0.98 0.00 0.00 173.24 173.64 1ukm s ILE 41 N -2.07 1.82 -1.72 -1.02 -1.09 -1.26 -4.95 121.20 110.91 1ukm s ILE 41 Ca 0.53 -1.58 0.24 0.00 -2.23 0.00 0.00 60.65 57.60 1ukm s ILE 41 Cb -0.10 -2.11 0.03 0.00 -1.58 0.00 0.00 42.46 38.70 1ukm s ILE 41 CO 0.21 -0.22 1.21 1.41 -1.23 0.00 0.00 174.94 176.32 1ukm n HIS 42 N 4.53 0.00 -3.73 3.97 8.25 -1.26 -4.99 115.22 121.99 1ukm n HIS 42 Ca -0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.30 1ukm n HIS 42 Cb 0.43 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 1ukm n HIS 42 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ukm s SER 43 N -2.61 -0.29 0.42 0.41 1.04 -1.26 -5.00 113.70 106.40 1ukm s SER 43 Ca 0.18 -0.40 0.18 0.00 0.48 0.00 0.00 55.95 56.38 1ukm s SER 43 Cb 0.18 0.61 0.91 0.00 0.10 0.00 0.00 66.02 67.82 1ukm s SER 43 CO 0.62 -1.09 1.88 0.77 0.98 0.00 0.00 173.24 176.39 1ukm h SER 44 N 2.00 0.00 -0.24 7.02 4.64 -1.98 -0.71 113.55 124.28 1ukm h SER 44 Ca -0.23 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.99 1ukm h SER 44 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ukm h SER 44 CO 0.27 0.30 -0.23 -0.33 -0.87 0.00 0.00 176.83 175.96 1ukm h GLU 45 N 0.00 0.58 -0.67 4.77 3.07 -1.99 0.92 114.58 121.25 1ukm h GLU 45 Ca -0.00 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.36 58.47 1ukm h GLU 45 Cb 0.61 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1ukm h GLU 45 CO 0.04 0.90 0.11 1.49 -1.40 0.00 0.00 179.01 180.14 1ukm h GLU 46 N 0.29 1.11 -0.64 2.33 4.81 -1.90 -2.52 114.58 118.06 1ukm h GLU 46 Ca 0.04 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1ukm h GLU 46 Cb 0.79 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1ukm h GLU 46 CO 0.06 1.02 0.41 1.49 -0.73 0.00 0.00 179.01 181.25 1ukm h GLU 47 N 1.03 0.79 -0.46 1.92 4.81 -0.92 -1.54 114.58 120.22 1ukm h GLU 47 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1ukm h GLU 47 Cb 0.45 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1ukm h GLU 47 CO 0.01 0.53 0.25 0.00 -0.73 0.00 0.00 179.01 179.07 1ukm h ALA 48 N 1.26 0.58 0.37 2.92 0.00 -0.56 -0.03 119.26 123.80 1ukm h ALA 48 Ca 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ukm h ALA 48 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ukm h ALA 48 CO -0.08 0.11 -0.18 0.35 0.00 0.00 0.00 179.25 179.45 1ukm h PHE 49 N 0.60 -0.46 -0.72 0.00 3.57 -1.20 -1.54 116.94 117.19 1ukm h PHE 49 Ca 0.16 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.73 1ukm h PHE 49 Cb 0.06 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1ukm h PHE 49 CO -0.02 -0.24 0.47 0.28 -2.23 0.00 0.00 178.31 176.57 1ukm h VAL 50 N -0.56 0.96 -0.33 1.41 2.07 -1.17 -1.27 116.25 117.36 1ukm h VAL 50 Ca -0.05 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1ukm h VAL 50 Cb 0.42 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1ukm h VAL 50 CO 0.08 0.12 0.06 0.28 0.02 0.00 0.00 177.57 178.13 1ukm h SER 51 N 0.66 0.52 -0.23 0.57 0.02 -0.58 -0.97 113.55 113.54 1ukm h SER 51 Ca 0.32 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1ukm h SER 51 Cb 0.40 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1ukm h SER 51 CO -0.11 0.64 -0.06 0.11 -1.14 0.00 0.00 176.83 176.27 1ukm h LYS 52 N 0.38 0.57 -0.49 3.45 1.57 -0.73 -1.25 116.57 120.07 1ukm h LYS 52 Ca 0.10 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ukm h LYS 52 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1ukm h LYS 52 CO 0.01 0.64 0.19 1.25 -0.57 0.00 0.00 179.45 180.97 1ukm h LEU 53 N 0.54 0.69 -0.79 2.94 5.85 -1.03 -2.86 115.31 120.64 1ukm h LEU 53 Ca 0.11 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1ukm h LEU 53 Cb 0.44 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1ukm h LEU 53 CO 0.02 0.68 0.10 0.00 -0.34 0.00 0.00 178.44 178.90 1ukm h ALA 54 N 1.04 1.00 -0.07 1.25 0.00 -0.60 -2.62 119.26 119.25 1ukm h ALA 54 Ca 0.16 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ukm h ALA 54 Cb 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ukm h ALA 54 CO -0.01 0.63 0.05 0.77 0.00 0.00 0.00 179.25 180.70 1ukm h SER 55 N 0.95 0.00 0.69 0.00 0.02 -1.02 0.34 113.55 114.53 1ukm h SER 55 Ca 0.19 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1ukm h SER 55 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1ukm h SER 55 CO 0.01 0.00 -0.95 0.11 -1.14 0.00 0.00 176.83 174.86 1ukm h LYS 56 N 0.00 0.15 0.00 3.45 1.57 -1.34 -3.35 116.57 117.05 1ukm h LYS 56 Ca 0.03 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1ukm h LYS 56 Cb 0.14 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ukm h LYS 56 CO -0.00 0.99 -1.62 0.00 -0.57 0.00 0.00 179.45 178.25 1ukm n ALA 57 N -2.45 2.38 -3.08 3.86 0.00 -0.53 -4.95 120.51 115.75 1ukm n ALA 57 Ca -0.03 -0.53 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 1ukm n ALA 57 Cb 0.87 -0.84 -0.17 0.00 0.00 0.00 0.00 19.45 19.31 1ukm n ALA 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ukm s LEU 58 N -5.16 2.14 0.05 0.00 1.43 0.11 -4.79 118.68 112.46 1ukm s LEU 58 Ca -0.05 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 1ukm s LEU 58 Cb 0.11 -1.42 -0.16 0.00 0.03 0.00 0.00 46.19 44.75 1ukm s LEU 58 CO 0.84 0.18 1.28 0.50 0.23 0.00 0.00 176.35 179.38 1ukm h LYS 59 N 6.54 0.49 -4.12 1.70 3.64 -1.87 -3.36 116.57 119.58 1ukm h LYS 59 Ca -0.23 -0.34 -0.74 0.00 -1.27 0.00 0.00 60.65 58.06 1ukm h LYS 59 Cb 1.22 0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 32.82 1ukm h LYS 59 CO 0.48 0.96 -0.26 -0.06 -2.27 0.00 0.00 179.45 178.29 1ukm s PHE 60 N -3.91 3.41 -1.31 1.91 0.40 -1.26 -5.00 117.98 112.22 1ukm s PHE 60 Ca -0.13 -1.74 -0.14 0.00 -0.60 0.00 0.00 56.93 54.32 1ukm s PHE 60 Cb 0.06 -3.63 -0.03 0.00 0.51 0.00 0.00 43.02 39.93 1ukm s PHE 60 CO 0.80 -0.99 2.28 2.41 0.70 0.00 0.00 175.22 180.42 1ukm n THR 61 N 4.82 3.19 -4.71 0.64 -1.04 -1.26 -4.85 114.28 111.07 1ukm n THR 61 Ca -0.06 -2.55 -0.24 0.00 -2.04 0.00 0.00 64.05 59.17 1ukm n THR 61 Cb 0.41 -2.52 -0.15 0.00 -1.82 0.00 0.00 70.33 66.25 1ukm n THR 61 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ukm s SER 62 N 3.41 1.82 -0.06 8.00 0.01 -1.26 -1.49 113.70 124.13 1ukm s SER 62 Ca 0.52 -0.29 -0.17 0.00 1.31 0.00 0.00 55.95 57.33 1ukm s SER 62 Cb 0.14 -0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.10 1ukm s SER 62 CO -0.04 0.17 0.39 0.00 0.41 0.00 0.00 173.24 174.17 1ukm s MET 63 N -0.20 0.67 0.34 12.44 0.23 -0.39 -4.00 119.30 128.39 1ukm s MET 63 Ca 0.03 0.09 -0.28 0.00 -1.03 0.00 0.00 55.69 54.50 1ukm s MET 63 Cb -0.08 0.31 -0.10 0.00 -1.53 0.00 0.00 34.83 33.43 1ukm s MET 63 CO 0.00 -0.17 1.25 -1.58 -2.03 0.00 0.00 175.02 172.50 1ukm s TRP 64 N -0.87 3.11 0.50 3.16 0.23 -0.17 -0.01 118.94 124.90 1ukm s TRP 64 Ca -0.09 1.48 0.02 0.00 -2.03 0.00 0.00 56.10 55.47 1ukm s TRP 64 Cb -0.04 -3.58 -0.02 0.00 0.03 0.00 0.00 33.47 29.87 1ukm s TRP 64 CO 0.04 -1.60 0.01 0.96 0.96 0.00 0.00 176.95 177.32 1ukm s ILE 65 N -1.20 1.25 -0.35 2.03 -4.36 -0.53 -3.42 121.20 114.62 1ukm s ILE 65 Ca 0.50 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1ukm s ILE 65 Cb -0.37 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1ukm s ILE 65 CO 0.49 0.00 0.58 0.61 0.24 0.00 0.00 174.94 176.85 1ukm n GLY 66 N -1.25 1.28 3.13 6.27 0.00 0.79 -4.64 105.19 110.77 1ukm n GLY 66 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1ukm n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ukm s LEU 67 N 0.00 5.38 -0.14 0.99 0.20 -1.26 -4.89 118.68 118.95 1ukm s LEU 67 Ca 0.00 -2.36 -0.14 0.00 0.69 0.00 0.00 54.13 52.32 1ukm s LEU 67 Cb 0.00 -1.88 -0.05 0.00 -0.43 0.00 0.00 46.19 43.83 1ukm s LEU 67 CO 0.00 -0.50 0.33 0.21 -0.29 0.00 0.00 176.35 176.10 1ukm s ASN 68 N 1.53 6.51 -0.43 3.68 3.84 -1.26 -1.30 114.94 127.52 1ukm s ASN 68 Ca 0.12 0.60 -0.20 0.00 0.21 0.00 0.00 52.86 53.59 1ukm s ASN 68 Cb -0.22 -2.20 0.03 0.00 -0.55 0.00 0.00 41.25 38.31 1ukm s ASN 68 CO -0.04 0.11 0.61 -3.20 -2.79 0.00 0.00 177.10 171.80 1ukm n ASN 69 N 3.37 -7.55 0.15 -4.21 5.15 0.10 -4.88 115.26 107.39 1ukm n ASN 69 Ca -0.12 0.43 0.12 0.00 -0.60 0.00 0.00 54.58 54.42 1ukm n ASN 69 Cb 0.52 -4.77 0.56 0.00 -0.53 0.00 0.00 39.78 35.55 1ukm n ASN 69 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ukm h PRO 70 N 2.03 0.00 -0.89 1.20 0.13 -1.83 -2.69 132.00 129.95 1ukm h PRO 70 Ca -0.10 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.45 1ukm h PRO 70 Cb 1.06 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.89 1ukm h PRO 70 CO 0.20 0.00 0.44 0.91 -0.23 0.00 0.00 178.00 179.32 1ukm n TRP 71 N -2.30 2.91 -3.15 1.56 8.01 -1.26 -4.95 117.44 118.27 1ukm n TRP 71 Ca 0.00 -2.56 -0.39 0.00 -1.31 0.00 0.00 57.50 53.24 1ukm n TRP 71 Cb 0.15 -1.08 -0.05 0.00 -2.01 0.00 0.00 31.31 28.32 1ukm n TRP 71 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1ukm s LYS 72 N -3.65 4.37 -1.21 -0.99 2.20 -1.02 -4.13 119.74 115.32 1ukm s LYS 72 Ca 0.59 0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 56.97 1ukm s LYS 72 Cb 0.48 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1ukm s LYS 72 CO 0.02 0.30 0.49 -0.25 -0.36 0.00 0.00 175.35 175.55 1ukm n ASP 73 N 2.92 -5.14 -4.80 1.43 10.43 -1.26 -5.01 116.55 115.12 1ukm n ASP 73 Ca -0.05 -0.23 -0.30 0.00 2.57 0.00 0.00 54.79 56.77 1ukm n ASP 73 Cb 0.51 -3.98 0.08 0.00 1.84 0.00 0.00 41.12 39.57 1ukm n ASP 73 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ukm s LYS 75 N -5.10 1.87 0.01 0.00 2.20 -1.26 -5.09 119.74 112.37 1ukm s LYS 75 Ca 0.60 -2.57 -0.30 0.00 -0.36 0.00 0.00 55.97 53.34 1ukm s LYS 75 Cb -0.15 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1ukm s LYS 75 CO 0.55 -1.14 1.12 -1.58 -0.36 0.00 0.00 175.35 173.93 1ukm s TRP 76 N -0.28 3.48 0.04 4.03 0.52 -1.26 -5.04 118.94 120.43 1ukm s TRP 76 Ca 0.18 1.44 0.04 0.00 0.02 0.00 0.00 56.10 57.78 1ukm s TRP 76 Cb -0.23 -3.31 -0.02 0.00 -1.15 0.00 0.00 33.47 28.76 1ukm s TRP 76 CO -0.02 -0.80 -0.12 -1.21 0.02 0.00 0.00 176.95 174.81 1ukm s GLU 77 N 1.27 0.81 0.10 4.98 2.02 -1.26 -4.79 118.70 121.82 1ukm s GLU 77 Ca 0.55 -0.76 -0.22 0.00 0.02 0.00 0.00 54.97 54.56 1ukm s GLU 77 Cb -0.25 -0.78 -0.07 0.00 0.10 0.00 0.00 34.13 33.13 1ukm s GLU 77 CO 0.27 0.19 0.68 -1.58 0.02 0.00 0.00 175.26 174.83 1ukm s TRP 78 N -0.97 3.84 0.53 1.61 0.52 -1.26 -4.96 118.94 118.24 1ukm s TRP 78 Ca -0.01 1.44 0.38 0.00 0.02 0.00 0.00 56.10 57.93 1ukm s TRP 78 Cb -0.08 -2.65 2.01 0.00 -1.15 0.00 0.00 33.47 31.59 1ukm s TRP 78 CO 0.01 0.51 2.25 0.66 0.02 0.00 0.00 176.95 180.40 1ukm h SER 79 N 4.64 0.00 -0.28 2.95 4.64 -2.01 0.13 113.55 123.62 1ukm h SER 79 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ukm h SER 79 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ukm h SER 79 CO 0.66 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 1ukm n ASP 80 N -3.31 2.07 -1.13 4.97 5.68 -1.26 -4.92 116.55 118.65 1ukm n ASP 80 Ca -0.02 -1.84 -0.15 0.00 -0.50 0.00 0.00 54.79 52.28 1ukm n ASP 80 Cb 0.14 -0.18 -0.06 0.00 -1.14 0.00 0.00 41.12 39.87 1ukm n ASP 80 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1ukm n ASN 81 N 0.60 -5.10 -4.74 -1.12 3.02 0.45 -4.99 115.26 103.38 1ukm n ASN 81 Ca 0.16 0.37 -0.32 0.00 -0.03 0.00 0.00 54.58 54.75 1ukm n ASN 81 Cb 0.37 -3.90 0.10 0.00 -0.61 0.00 0.00 39.78 35.74 1ukm n ASN 81 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ukm s ALA 82 N -2.44 2.11 0.31 5.41 0.00 -1.26 -4.93 121.76 120.96 1ukm s ALA 82 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 1ukm s ALA 82 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1ukm s ALA 82 CO 0.00 -1.88 1.28 0.50 0.00 0.00 0.00 175.76 175.65 1ukm s ARG 83 N -4.39 4.41 -0.30 0.00 3.52 -1.26 -4.38 118.95 116.55 1ukm s ARG 83 Ca 0.67 2.14 -0.21 0.00 -0.13 0.00 0.00 55.73 58.20 1ukm s ARG 83 Cb -0.22 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1ukm s ARG 83 CO 0.50 -0.13 0.66 0.12 -0.81 0.00 0.00 175.30 175.64 1ukm s PHE 84 N -1.01 3.22 0.00 5.12 5.36 -1.26 -4.79 117.98 124.62 1ukm s PHE 84 Ca 0.49 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.12 1ukm s PHE 84 Cb -0.38 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 1ukm s PHE 84 CO 0.49 -0.47 0.00 -3.47 -1.46 0.00 0.00 175.22 170.31 1ukm n ASP 85 N 5.91 0.00 -4.74 6.13 2.03 -1.26 -5.08 116.55 119.53 1ukm n ASP 85 Ca -0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1ukm n ASP 85 Cb 0.49 0.06 -0.01 0.00 -0.72 0.00 0.00 41.12 40.94 1ukm n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ukm n TYR 86 N -1.86 2.74 -3.72 -0.67 9.36 -1.26 -4.99 117.16 116.76 1ukm n TYR 86 Ca 0.00 0.44 -0.13 0.00 3.32 0.00 0.00 57.90 61.52 1ukm n TYR 86 Cb 0.00 -2.51 -0.09 0.00 -0.63 0.00 0.00 39.34 36.11 1ukm n TYR 86 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1ukm s LYS 87 N -1.66 0.56 -0.16 2.98 -2.85 -1.26 -5.01 119.74 112.34 1ukm s LYS 87 Ca 0.57 0.45 0.17 0.00 -1.00 0.00 0.00 55.97 56.15 1ukm s LYS 87 Cb -0.51 0.27 0.34 0.00 -2.06 0.00 0.00 37.83 35.87 1ukm s LYS 87 CO 0.60 -0.10 1.20 0.00 0.10 0.00 0.00 175.35 177.15 1ukm n ALA 88 N 2.47 2.72 -2.58 0.59 0.00 -1.26 -4.96 120.51 117.49 1ukm n ALA 88 Ca -0.15 -2.79 -0.42 0.00 0.00 0.00 0.00 53.44 50.08 1ukm n ALA 88 Cb 0.57 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 1ukm n ALA 88 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1ukm s TRP 89 N -2.98 3.10 -0.26 0.00 -0.00 -1.26 -4.92 118.94 112.63 1ukm s TRP 89 Ca 0.35 0.47 0.15 0.00 -0.00 0.00 0.00 56.10 57.06 1ukm s TRP 89 Cb 0.31 -3.40 0.47 0.00 -0.00 0.00 0.00 33.47 30.86 1ukm s TRP 89 CO 0.01 -0.75 1.16 1.63 -0.00 0.00 0.00 176.95 179.00 1ukm n LYS 90 N 6.40 2.54 -1.95 5.86 5.02 -1.26 -5.07 118.16 129.70 1ukm n LYS 90 Ca 0.02 -3.73 -0.42 0.00 -2.02 0.00 0.00 58.31 52.16 1ukm n LYS 90 Cb 0.48 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1ukm n LYS 90 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ukm s ARG 91 N -3.45 4.21 0.98 1.97 6.06 -1.26 -5.00 118.95 122.46 1ukm s ARG 91 Ca 0.40 2.32 -0.14 0.00 -2.50 0.00 0.00 55.73 55.81 1ukm s ARG 91 Cb 0.37 -3.38 0.18 0.00 0.06 0.00 0.00 34.95 32.18 1ukm s ARG 91 CO -0.01 -0.66 1.15 -0.98 -2.50 0.00 0.00 175.30 172.31 1ukm s ARG 92 N 1.89 0.54 0.16 5.12 1.70 -1.26 -4.93 118.95 122.17 1ukm s ARG 92 Ca 0.71 0.15 -0.31 0.00 -0.47 0.00 0.00 55.73 55.81 1ukm s ARG 92 Cb -0.41 -1.78 -0.11 0.00 -0.57 0.00 0.00 34.95 32.08 1ukm s ARG 92 CO 0.32 -2.58 1.78 -2.14 -1.08 0.00 0.00 175.30 171.60 1ukm s PRO 93 N -5.35 4.13 0.11 3.89 0.02 -1.26 -4.97 135.00 131.57 1ukm s PRO 93 Ca 0.67 2.60 0.09 0.00 0.02 0.00 0.00 61.00 64.37 1ukm s PRO 93 Cb -0.13 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 1ukm s PRO 93 CO 0.54 -0.80 -0.16 0.71 -0.33 0.00 0.00 177.00 176.96 1ukm s TYR 94 N 2.09 2.58 0.24 6.54 1.51 -1.26 -1.90 117.35 127.15 1ukm s TYR 94 Ca 0.78 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.67 1ukm s TYR 94 Cb -0.47 -1.37 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 1ukm s TYR 94 CO 0.34 0.39 -0.08 0.00 -1.11 0.00 0.00 175.55 175.10 1ukm s THR 96 N -3.07 5.29 -0.13 0.00 2.01 -0.42 -1.13 115.64 118.18 1ukm s THR 96 Ca 0.26 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 62.83 1ukm s THR 96 Cb 0.02 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1ukm s THR 96 CO 0.09 0.36 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.60 1ukm s VAL 97 N 0.64 3.39 -0.21 3.82 1.01 0.07 -1.45 120.40 127.68 1ukm s VAL 97 Ca 0.17 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1ukm s VAL 97 Cb -0.13 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1ukm s VAL 97 CO 0.05 0.52 0.16 -0.32 0.00 0.00 0.00 175.10 175.51 1ukm s MET 98 N 0.21 4.16 -0.09 2.72 1.75 0.99 -1.56 119.30 127.49 1ukm s MET 98 Ca -0.06 -0.20 0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1ukm s MET 98 Cb -0.15 -3.46 -0.02 0.00 2.84 0.00 0.00 34.83 34.05 1ukm s MET 98 CO 0.04 0.22 -0.13 0.08 -0.65 0.00 0.00 175.02 174.58 1ukm s VAL 99 N 0.58 3.10 -0.28 10.11 1.01 0.60 -1.26 120.40 134.26 1ukm s VAL 99 Ca 0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1ukm s VAL 99 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1ukm s VAL 99 CO 0.00 0.56 0.05 -0.69 0.00 0.00 0.00 175.10 175.02 1ukm s VAL 100 N -0.19 3.82 0.40 2.92 1.01 -0.55 -1.59 120.40 126.22 1ukm s VAL 100 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1ukm s VAL 100 Cb -0.13 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1ukm s VAL 100 CO 0.03 0.16 0.30 -0.54 0.00 0.00 0.00 175.10 175.06 1ukm s LYS 101 N 1.49 2.47 0.42 2.72 -0.14 0.14 -4.74 119.74 122.10 1ukm s LYS 101 Ca 0.03 -1.59 0.16 0.00 -1.36 0.00 0.00 55.97 53.21 1ukm s LYS 101 Cb -0.17 -2.28 0.94 0.00 -1.68 0.00 0.00 37.83 34.65 1ukm s LYS 101 CO 0.01 -0.12 1.92 -1.35 -0.76 0.00 0.00 175.35 175.05 1ukm h PRO 102 N 1.18 0.00 -0.01 -1.68 0.11 -2.03 -3.15 132.00 126.43 1ukm h PRO 102 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ukm h PRO 102 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ukm h PRO 102 CO 0.61 0.26 -0.24 -0.40 -0.21 0.00 0.00 178.00 178.02 1ukm n ASP 103 N -4.07 1.55 -3.72 -2.05 5.75 -1.26 -5.06 116.55 107.69 1ukm n ASP 103 Ca -0.02 -1.28 0.03 0.00 -0.01 0.00 0.00 54.79 53.51 1ukm n ASP 103 Cb 0.32 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 1ukm n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ukm s ARG 104 N -1.59 0.30 -0.01 0.11 1.70 -1.19 -5.16 118.95 113.12 1ukm s ARG 104 Ca 0.12 -0.18 0.05 0.00 -0.47 0.00 0.00 55.73 55.25 1ukm s ARG 104 Cb 0.11 0.09 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 1ukm s ARG 104 CO 0.31 -0.14 -0.17 0.42 -1.08 0.00 0.00 175.30 174.64 1ukm s ILE 105 N -2.16 1.38 0.17 4.99 1.01 -1.26 0.28 121.20 125.61 1ukm s ILE 105 Ca 0.22 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1ukm s ILE 105 Cb 0.03 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.36 1ukm s ILE 105 CO -0.03 0.35 0.42 0.72 0.00 0.00 0.00 174.94 176.40 1ukm s PHE 106 N -0.46 0.06 0.11 3.97 -0.12 -0.62 -5.00 117.98 115.92 1ukm s PHE 106 Ca 0.07 -0.41 0.09 0.00 -0.05 0.00 0.00 56.93 56.63 1ukm s PHE 106 Cb -0.07 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1ukm s PHE 106 CO -0.00 -0.81 -0.19 -1.58 -0.05 0.00 0.00 175.22 172.58 1ukm s TRP 107 N -3.90 2.51 0.22 3.49 0.51 -1.26 -0.29 118.94 120.22 1ukm s TRP 107 Ca 0.11 -0.28 -0.08 0.00 -2.12 0.00 0.00 56.10 53.73 1ukm s TRP 107 Cb 0.01 -1.35 -0.02 0.00 -0.81 0.00 0.00 33.47 31.30 1ukm s TRP 107 CO -0.03 0.36 0.34 -0.59 -0.51 0.00 0.00 176.95 176.52 1ukm s PHE 108 N -1.11 0.64 0.11 -1.98 -0.71 -0.60 -4.99 117.98 109.35 1ukm s PHE 108 Ca 0.17 -0.95 0.06 0.00 -1.04 0.00 0.00 56.93 55.17 1ukm s PHE 108 Cb -0.10 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 1ukm s PHE 108 CO 0.09 -0.85 -0.04 0.95 -1.34 0.00 0.00 175.22 174.03 1ukm s THR 109 N -4.06 3.74 0.05 -4.49 -4.23 -1.26 -0.75 115.64 104.63 1ukm s THR 109 Ca 0.28 -1.17 -0.05 0.00 -1.18 0.00 0.00 61.69 59.57 1ukm s THR 109 Cb 0.02 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1ukm s THR 109 CO 0.09 0.07 0.09 -0.13 -0.54 0.00 0.00 174.62 174.21 1ukm s ARG 110 N -2.39 0.62 0.25 3.99 0.52 -0.29 -4.94 118.95 116.72 1ukm s ARG 110 Ca 0.25 -0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 1ukm s ARG 110 Cb -0.11 0.24 -0.14 0.00 0.52 0.00 0.00 34.95 35.46 1ukm s ARG 110 CO 0.17 -0.16 1.26 0.41 0.02 0.00 0.00 175.30 177.00 1ukm n GLY 111 N 0.58 0.40 0.20 -3.53 0.00 -1.26 -0.04 105.19 101.53 1ukm n GLY 111 Ca -0.18 0.44 0.14 0.00 0.00 0.00 0.00 46.02 46.42 1ukm n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukm n GLU 113 N -2.48 0.19 -1.13 0.00 0.00 -1.26 -1.91 120.64 114.04 1ukm n GLU 113 Ca -0.01 0.15 -0.30 0.00 0.00 0.00 0.00 57.16 57.00 1ukm n GLU 113 Cb 0.12 -1.72 0.13 0.00 0.00 0.00 0.00 31.44 29.97 1ukm n GLU 113 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ukm s LYS 114 N -3.07 1.46 -0.21 3.44 -0.14 -0.57 -4.70 119.74 115.95 1ukm s LYS 114 Ca 0.12 1.02 -0.05 0.00 -1.36 0.00 0.00 55.97 55.70 1ukm s LYS 114 Cb 0.14 -1.82 -0.02 0.00 -1.68 0.00 0.00 37.83 34.45 1ukm s LYS 114 CO 0.58 -2.16 -0.00 -1.12 -0.76 0.00 0.00 175.35 171.89 1ukm s SER 115 N -3.29 4.77 0.04 2.83 0.01 -1.26 -3.52 113.70 113.29 1ukm s SER 115 Ca 0.63 -0.23 -0.00 0.00 1.31 0.00 0.00 55.95 57.66 1ukm s SER 115 Cb -0.19 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1ukm s SER 115 CO 0.57 0.04 -0.04 -0.69 0.41 0.00 0.00 173.24 173.53 1ukm s VAL 116 N 1.14 0.24 1.07 3.43 1.01 0.00 -4.67 120.40 122.63 1ukm s VAL 116 Ca 0.03 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 1ukm s VAL 116 Cb -0.14 -0.91 0.22 0.00 0.00 0.00 0.00 36.38 35.55 1ukm s VAL 116 CO 0.01 -0.72 1.10 -0.44 0.00 0.00 0.00 175.10 175.06 1ukm s SER 117 N -2.18 2.03 0.31 3.32 0.01 -1.26 -1.86 113.70 114.07 1ukm s SER 117 Ca -0.04 0.98 -0.10 0.00 1.31 0.00 0.00 55.95 58.10 1ukm s SER 117 Cb -0.02 -1.51 0.01 0.00 0.21 0.00 0.00 66.02 64.71 1ukm s SER 117 CO -0.05 -3.48 0.55 0.72 0.41 0.00 0.00 173.24 171.39 1ukm s PHE 118 N -2.99 0.55 -0.03 2.43 -0.71 -0.91 -1.00 117.98 115.33 1ukm s PHE 118 Ca 0.67 -0.93 0.01 0.00 -1.04 0.00 0.00 56.93 55.65 1ukm s PHE 118 Cb -0.16 0.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 1ukm s PHE 118 CO 0.57 -1.17 -0.03 0.54 -1.34 0.00 0.00 175.22 173.79 1ukm s VAL 119 N -3.34 0.35 0.20 -2.49 0.11 -1.22 -0.71 120.40 113.31 1ukm s VAL 119 Ca 0.24 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1ukm s VAL 119 Cb -0.02 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1ukm s VAL 119 CO 0.13 0.16 0.15 0.00 -3.33 0.00 0.00 175.10 172.21 1ukm s LYS 121 N -3.39 0.52 0.01 0.00 2.20 -0.09 -2.23 119.74 116.75 1ukm s LYS 121 Ca 0.32 0.30 -0.21 0.00 -0.36 0.00 0.00 55.97 56.02 1ukm s LYS 121 Cb -0.09 0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1ukm s LYS 121 CO 0.24 -0.10 0.46 -0.59 -0.36 0.00 0.00 175.35 175.00 1ukm s PHE 122 N -0.29 -0.35 -0.11 4.03 -0.12 -0.87 -1.94 117.98 118.33 1ukm s PHE 122 Ca -0.04 0.46 -0.30 0.00 -0.05 0.00 0.00 56.93 57.01 1ukm s PHE 122 Cb -0.03 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1ukm s PHE 122 CO 0.02 -0.55 1.19 -1.17 -0.05 0.00 0.00 175.22 174.66 1ukm s LEU 123 N -1.66 4.23 0.00 -1.99 2.96 -1.26 -0.78 118.68 120.18 1ukm s LEU 123 Ca -0.09 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 1ukm s LEU 123 Cb -0.02 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.13 1ukm s LEU 123 CO 0.02 -0.64 0.51 1.07 -1.32 0.00 0.00 176.35 175.99